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/5mpg_rna-21713847/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/5mpg_rna-21713847/inputs/seq.fa: 1 curr_seq: _UUAGGUC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UUAGGUC 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 7 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: 40 n_atoms_counter: 40 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 chain: 1: _xxxxxxx_ 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 RNAStructure::tertiaryStrcWeight = 1.000000 EntireStructure::rnaStruct limitingSphereRadius : 7.000000 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/5mpg_rna-21713847/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/5mpg_rna-21713847/inputs/seq.fa: 1 curr_seq: _UUAGGUC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UUAGGUC 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 7 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: 40 n_atoms_counter: 40 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 chain: 1: _xxxxxxx_ 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 RNAStructure::tertiaryStrcWeight = 1.000000 EntireStructure::rnaStruct limitingSphereRadius : 7.000000 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/5mpg_rna-21713847/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/5mpg_rna-21713847/inputs/seq.fa: 1 curr_seq: _UUAGGUC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UUAGGUC 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 7 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: 40 n_atoms_counter: 40 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 chain: 1: _xxxxxxx_ 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 RNAStructure::tertiaryStrcWeight = 1.000000 EntireStructure::rnaStruct limitingSphereRadius : 7.000000 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/5mpg_rna-21713847/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/5mpg_rna-21713847/inputs/seq.fa: 1 curr_seq: _UUAGGUC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UUAGGUC 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 7 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: 40 n_atoms_counter: 40 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 chain: 1: _xxxxxxx_ 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 RNAStructure::tertiaryStrcWeight = 1.000000 EntireStructure::rnaStruct limitingSphereRadius : 7.000000 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/5mpg_rna-21713847/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/5mpg_rna-21713847/inputs/seq.fa: 1 curr_seq: _UUAGGUC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UUAGGUC 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 7 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: 40 n_atoms_counter: 40 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 chain: 1: _xxxxxxx_ 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 RNAStructure::tertiaryStrcWeight = 1.000000 EntireStructure::rnaStruct limitingSphereRadius : 7.000000 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/5mpg_rna-21713847/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/5mpg_rna-21713847/inputs/seq.fa: 1 curr_seq: _UUAGGUC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UUAGGUC 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 7 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: 40 n_atoms_counter: 40 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 chain: 1: _xxxxxxx_ 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 RNAStructure::tertiaryStrcWeight = 1.000000 EntireStructure::rnaStruct limitingSphereRadius : 7.000000 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/5mpg_rna-21713847/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/5mpg_rna-21713847/inputs/seq.fa: 1 curr_seq: _UUAGGUC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UUAGGUC 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 7 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: 40 n_atoms_counter: 40 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 chain: 1: _xxxxxxx_ 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 RNAStructure::tertiaryStrcWeight = 1.000000 EntireStructure::rnaStruct limitingSphereRadius : 7.000000 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/5mpg_rna-21713847/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/5mpg_rna-21713847/inputs/seq.fa: 1 curr_seq: _UUAGGUC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UUAGGUC 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 7 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: 40 n_atoms_counter: 40 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 chain: 1: _xxxxxxx_ 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 RNAStructure::tertiaryStrcWeight = 1.000000 EntireStructure::rnaStruct limitingSphereRadius : 7.000000 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/5mpg_rna-21713847/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/5mpg_rna-21713847/inputs/seq.fa: 1 curr_seq: _UUAGGUC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UUAGGUC 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 7 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: 40 n_atoms_counter: 40 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 chain: 1: _xxxxxxx_ 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 RNAStructure::tertiaryStrcWeight = 1.000000 EntireStructure::rnaStruct limitingSphereRadius : 7.000000 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/5mpg_rna-21713847/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/5mpg_rna-21713847/inputs/seq.fa: 1 curr_seq: _UUAGGUC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UUAGGUC 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 7 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: 40 n_atoms_counter: 40 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 chain: 1: _xxxxxxx_ 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 RNAStructure::tertiaryStrcWeight = 1.000000 EntireStructure::rnaStruct limitingSphereRadius : 7.000000 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: -23.962208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.962208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.962208 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -23.961949 where: bonds (distance) C4'-P energy: -6.801 bonds (distance) P-C4' energy: -7.157 flat angles C4'-P-C4' energy: -5.140 flat angles P-C4'-P energy: -5.879 tors. eta vs tors. theta energy: 1.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 1 Temperature: 0.950000 Total energy: -23.962208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.962208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.962208 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -23.961949 where: bonds (distance) C4'-P energy: -6.801 bonds (distance) P-C4' energy: -7.157 flat angles C4'-P-C4' energy: -5.140 flat angles P-C4'-P energy: -5.879 tors. eta vs tors. theta energy: 1.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 1 Temperature: 1.000000 Total energy: -23.962208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.962208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.962208 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -23.961949 where: bonds (distance) C4'-P energy: -6.801 bonds (distance) P-C4' energy: -7.157 flat angles C4'-P-C4' energy: -5.140 flat angles P-C4'-P energy: -5.879 tors. eta vs tors. theta energy: 1.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 1 Temperature: 1.050000 Total energy: -23.962208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.962208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.962208 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -23.961949 where: bonds (distance) C4'-P energy: -6.801 bonds (distance) P-C4' energy: -7.157 flat angles C4'-P-C4' energy: -5.140 flat angles P-C4'-P energy: -5.879 tors. eta vs tors. theta energy: 1.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 1 Temperature: 1.100000 Total energy: -23.962208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.962208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.962208 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -23.961949 where: bonds (distance) C4'-P energy: -6.801 bonds (distance) P-C4' energy: -7.157 flat angles C4'-P-C4' energy: -5.140 flat angles P-C4'-P energy: -5.879 tors. eta vs tors. theta energy: 1.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 1 Temperature: 1.150000 Total energy: -23.962208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.962208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.962208 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -23.961949 where: bonds (distance) C4'-P energy: -6.801 bonds (distance) P-C4' energy: -7.157 flat angles C4'-P-C4' energy: -5.140 flat angles P-C4'-P energy: -5.879 tors. eta vs tors. theta energy: 1.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 1 Temperature: 1.200000 Total energy: -23.962208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.962208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.962208 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -23.961949 where: bonds (distance) C4'-P energy: -6.801 bonds (distance) P-C4' energy: -7.157 flat angles C4'-P-C4' energy: -5.140 flat angles P-C4'-P energy: -5.879 tors. eta vs tors. theta energy: 1.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 1 Temperature: 1.250000 Total energy: -23.962208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.962208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.962208 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -23.961949 where: bonds (distance) C4'-P energy: -6.801 bonds (distance) P-C4' energy: -7.157 flat angles C4'-P-C4' energy: -5.140 flat angles P-C4'-P energy: -5.879 tors. eta vs tors. theta energy: 1.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 1 Temperature: 1.300000 Total energy: -23.962208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.962208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.962208 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -23.961949 where: bonds (distance) C4'-P energy: -6.801 bonds (distance) P-C4' energy: -7.157 flat angles C4'-P-C4' energy: -5.140 flat angles P-C4'-P energy: -5.879 tors. eta vs tors. theta energy: 1.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 1 Temperature: 1.350000 Total energy: -23.962208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.962208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.962208 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -23.961949 where: bonds (distance) C4'-P energy: -6.801 bonds (distance) P-C4' energy: -7.157 flat angles C4'-P-C4' energy: -5.140 flat angles P-C4'-P energy: -5.879 tors. eta vs tors. theta energy: 1.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 2 Temperature: 0.900000 Total energy: -41.730953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.730953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.730953 (E_RNA) where: Base-Base interactions energy: -17.937 where: short stacking energy: -17.937 Base-Backbone interact. energy: -0.048 local terms energy: -23.746308 where: bonds (distance) C4'-P energy: -3.958 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -5.113 flat angles P-C4'-P energy: -5.168 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: 2 ===================================== Write number: 2 Temperature: 0.950000 Total energy: -34.670110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.670110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.670110 (E_RNA) where: Base-Base interactions energy: -13.812 where: short stacking energy: -13.812 Base-Backbone interact. energy: -0.097 local terms energy: -20.761119 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -3.253 flat angles P-C4'-P energy: -3.942 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: 3, replica: 3 ===================================== Write number: 2 Temperature: 1.000000 Total energy: -31.338127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.338127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.338127 (E_RNA) where: Base-Base interactions energy: -9.276 where: short stacking energy: -9.276 Base-Backbone interact. energy: -0.121 local terms energy: -21.941061 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -4.857 flat angles P-C4'-P energy: -3.639 tors. eta vs tors. theta energy: -1.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 2 Temperature: 1.050000 Total energy: -36.165857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.165857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.165857 (E_RNA) where: Base-Base interactions energy: -12.919 where: short stacking energy: -12.919 Base-Backbone interact. energy: 1.613 local terms energy: -24.859913 where: bonds (distance) C4'-P energy: -5.543 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -4.372 flat angles P-C4'-P energy: -4.616 tors. eta vs tors. theta energy: -3.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 2 Temperature: 1.100000 Total energy: -29.423785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.423785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.423785 (E_RNA) where: Base-Base interactions energy: -8.064 where: short stacking energy: -8.064 Base-Backbone interact. energy: -0.120 local terms energy: -21.240091 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -5.938 flat angles C4'-P-C4' energy: -5.045 flat angles P-C4'-P energy: -2.731 tors. eta vs tors. theta energy: -1.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 2 Temperature: 1.150000 Total energy: -32.183029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.183029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.183029 (E_RNA) where: Base-Base interactions energy: -11.398 where: short stacking energy: -11.398 Base-Backbone interact. energy: -0.002 local terms energy: -20.783135 where: bonds (distance) C4'-P energy: -4.454 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -5.195 flat angles P-C4'-P energy: -2.656 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: 7, replica: 7 ===================================== Write number: 2 Temperature: 1.200000 Total energy: -29.138441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.138441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.138441 (E_RNA) where: Base-Base interactions energy: -10.318 where: short stacking energy: -10.318 Base-Backbone interact. energy: -0.027 local terms energy: -18.793936 where: bonds (distance) C4'-P energy: -4.967 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -3.446 flat angles P-C4'-P energy: -3.866 tors. eta vs tors. theta energy: -0.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 2 Temperature: 1.250000 Total energy: -26.756932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.756932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.756932 (E_RNA) where: Base-Base interactions energy: -8.423 where: short stacking energy: -8.423 Base-Backbone interact. energy: 1.362 local terms energy: -19.696433 where: bonds (distance) C4'-P energy: -4.570 bonds (distance) P-C4' energy: -4.165 flat angles C4'-P-C4' energy: -5.798 flat angles P-C4'-P energy: -4.288 tors. eta vs tors. theta energy: -0.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 2 Temperature: 1.300000 Total energy: -36.240026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.240026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.240026 (E_RNA) where: Base-Base interactions energy: -14.113 where: short stacking energy: -14.113 Base-Backbone interact. energy: -0.071 local terms energy: -22.055551 where: bonds (distance) C4'-P energy: -4.114 bonds (distance) P-C4' energy: -4.914 flat angles C4'-P-C4' energy: -5.914 flat angles P-C4'-P energy: -3.887 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: 10 ===================================== Write number: 2 Temperature: 1.350000 Total energy: -27.186347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.186347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.186347 (E_RNA) where: Base-Base interactions energy: -2.880 where: short stacking energy: -2.880 Base-Backbone interact. energy: -0.001 local terms energy: -24.305855 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -4.807 flat angles P-C4'-P energy: -4.540 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: 1, replica: 1 ===================================== Write number: 3 Temperature: 0.900000 Total energy: -40.598688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.598688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.598688 (E_RNA) where: Base-Base interactions energy: -14.739 where: short stacking energy: -14.739 Base-Backbone interact. energy: -0.014 local terms energy: -25.846150 where: bonds (distance) C4'-P energy: -5.063 bonds (distance) P-C4' energy: -5.579 flat angles C4'-P-C4' energy: -4.361 flat angles P-C4'-P energy: -5.093 tors. eta vs tors. theta energy: -5.749 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: 3 ===================================== Write number: 3 Temperature: 0.950000 Total energy: -38.405956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.405956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.405956 (E_RNA) where: Base-Base interactions energy: -13.539 where: short stacking energy: -13.539 Base-Backbone interact. energy: -0.000 local terms energy: -24.866673 where: bonds (distance) C4'-P energy: -3.912 bonds (distance) P-C4' energy: -6.678 flat angles C4'-P-C4' energy: -4.345 flat angles P-C4'-P energy: -4.878 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: 3, replica: 2 ===================================== Write number: 3 Temperature: 1.000000 Total energy: -38.480588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.480588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.480588 (E_RNA) where: Base-Base interactions energy: -12.975 where: short stacking energy: -12.975 Base-Backbone interact. energy: -0.032 local terms energy: -25.473714 where: bonds (distance) C4'-P energy: -6.569 bonds (distance) P-C4' energy: -6.445 flat angles C4'-P-C4' energy: -5.533 flat angles P-C4'-P energy: -2.993 tors. eta vs tors. theta energy: -3.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 3 Temperature: 1.050000 Total energy: -35.043847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.043847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.043847 (E_RNA) where: Base-Base interactions energy: -9.103 where: short stacking energy: -9.103 Base-Backbone interact. energy: -0.022 local terms energy: -25.918426 where: bonds (distance) C4'-P energy: -4.089 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -6.518 flat angles P-C4'-P energy: -5.145 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: 5, replica: 4 ===================================== Write number: 3 Temperature: 1.100000 Total energy: -33.763065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.763065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.763065 (E_RNA) where: Base-Base interactions energy: -12.314 where: short stacking energy: -12.314 Base-Backbone interact. energy: -0.076 local terms energy: -21.373562 where: bonds (distance) C4'-P energy: -5.729 bonds (distance) P-C4' energy: -6.174 flat angles C4'-P-C4' energy: -6.012 flat angles P-C4'-P energy: -3.965 tors. eta vs tors. theta energy: 0.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 3 Temperature: 1.150000 Total energy: -35.013097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.013097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.013097 (E_RNA) where: Base-Base interactions energy: -13.621 where: short stacking energy: -13.621 Base-Backbone interact. energy: -0.000 local terms energy: -21.391985 where: bonds (distance) C4'-P energy: -5.099 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -5.203 flat angles P-C4'-P energy: -0.342 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: 7, replica: 7 ===================================== Write number: 3 Temperature: 1.200000 Total energy: -31.271836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.271836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.271836 (E_RNA) where: Base-Base interactions energy: -9.987 where: short stacking energy: -9.987 Base-Backbone interact. energy: -0.012 local terms energy: -21.272246 where: bonds (distance) C4'-P energy: -4.967 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -3.258 flat angles P-C4'-P energy: -4.725 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: 8, replica: 9 ===================================== Write number: 3 Temperature: 1.250000 Total energy: -36.729186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.729186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.729186 (E_RNA) where: Base-Base interactions energy: -10.774 where: short stacking energy: -10.774 Base-Backbone interact. energy: -0.070 local terms energy: -25.885473 where: bonds (distance) C4'-P energy: -6.006 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -5.540 flat angles P-C4'-P energy: -5.241 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: 9, replica: 8 ===================================== Write number: 3 Temperature: 1.300000 Total energy: -35.142121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.142121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.142121 (E_RNA) where: Base-Base interactions energy: -13.301 where: short stacking energy: -13.301 Base-Backbone interact. energy: -0.000 local terms energy: -21.840802 where: bonds (distance) C4'-P energy: -4.631 bonds (distance) P-C4' energy: -4.631 flat angles C4'-P-C4' energy: -4.211 flat angles P-C4'-P energy: -3.893 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: 10, replica: 10 ===================================== Write number: 3 Temperature: 1.350000 Total energy: -26.420763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.420763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.420763 (E_RNA) where: Base-Base interactions energy: -7.328 where: short stacking energy: -7.328 Base-Backbone interact. energy: -0.069 local terms energy: -19.023758 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -5.146 flat angles C4'-P-C4' energy: -3.804 flat angles P-C4'-P energy: -3.552 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: 1, replica: 3 ===================================== Write number: 4 Temperature: 0.900000 Total energy: -34.870587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.870587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.870587 (E_RNA) where: Base-Base interactions energy: -8.514 where: short stacking energy: -8.514 Base-Backbone interact. energy: -0.000 local terms energy: -26.356373 where: bonds (distance) C4'-P energy: -5.473 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -6.196 flat angles P-C4'-P energy: -3.347 tors. eta vs tors. theta energy: -4.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 4 Temperature: 0.950000 Total energy: -34.732264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.732264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.732264 (E_RNA) where: Base-Base interactions energy: -13.579 where: short stacking energy: -13.579 Base-Backbone interact. energy: -0.043 local terms energy: -21.110179 where: bonds (distance) C4'-P energy: -5.179 bonds (distance) P-C4' energy: -5.600 flat angles C4'-P-C4' energy: -5.607 flat angles P-C4'-P energy: -3.479 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: 3, replica: 2 ===================================== Write number: 4 Temperature: 1.000000 Total energy: -36.806836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.806836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.806836 (E_RNA) where: Base-Base interactions energy: -11.022 where: short stacking energy: -11.022 Base-Backbone interact. energy: -0.018 local terms energy: -25.767147 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -5.597 flat angles C4'-P-C4' energy: -4.979 flat angles P-C4'-P energy: -3.940 tors. eta vs tors. theta energy: -4.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 4 Temperature: 1.050000 Total energy: -36.753936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.753936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.753936 (E_RNA) where: Base-Base interactions energy: -15.035 where: short stacking energy: -15.035 Base-Backbone interact. energy: -0.002 local terms energy: -21.716757 where: bonds (distance) C4'-P energy: -4.611 bonds (distance) P-C4' energy: -4.451 flat angles C4'-P-C4' energy: -5.398 flat angles P-C4'-P energy: -3.803 tors. eta vs tors. theta energy: -3.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 4 Temperature: 1.100000 Total energy: -37.109657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.109657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.109657 (E_RNA) where: Base-Base interactions energy: -14.749 where: short stacking energy: -14.749 Base-Backbone interact. energy: -0.000 local terms energy: -22.359972 where: bonds (distance) C4'-P energy: -3.795 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -5.107 flat angles P-C4'-P energy: -0.685 tors. eta vs tors. theta energy: -5.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 4 Temperature: 1.150000 Total energy: -34.087693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.087693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.087693 (E_RNA) where: Base-Base interactions energy: -9.587 where: short stacking energy: -9.587 Base-Backbone interact. energy: -0.030 local terms energy: -24.470187 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -5.610 flat angles P-C4'-P energy: -5.239 tors. eta vs tors. theta energy: -0.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 4 Temperature: 1.200000 Total energy: -32.554909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.554909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.554909 (E_RNA) where: Base-Base interactions energy: -11.265 where: short stacking energy: -11.265 Base-Backbone interact. energy: 0.777 local terms energy: -22.067430 where: bonds (distance) C4'-P energy: -5.456 bonds (distance) P-C4' energy: -5.441 flat angles C4'-P-C4' energy: -5.441 flat angles P-C4'-P energy: -2.188 tors. eta vs tors. theta energy: -3.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 4 Temperature: 1.250000 Total energy: -29.613564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.613564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.613564 (E_RNA) where: Base-Base interactions energy: -6.073 where: short stacking energy: -6.073 Base-Backbone interact. energy: -0.007 local terms energy: -23.533457 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.515 flat angles P-C4'-P energy: -2.780 tors. eta vs tors. theta energy: -2.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 4 Temperature: 1.300000 Total energy: -31.060534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.060534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.060534 (E_RNA) where: Base-Base interactions energy: -9.627 where: short stacking energy: -9.627 Base-Backbone interact. energy: -0.000 local terms energy: -21.433054 where: bonds (distance) C4'-P energy: -5.029 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -3.285 flat angles P-C4'-P energy: -3.946 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: 10, replica: 8 ===================================== Write number: 4 Temperature: 1.350000 Total energy: -28.215905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.215905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.215905 (E_RNA) where: Base-Base interactions energy: -9.061 where: short stacking energy: -9.061 Base-Backbone interact. energy: -0.088 local terms energy: -19.066912 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -5.469 flat angles C4'-P-C4' energy: -6.060 flat angles P-C4'-P energy: -3.362 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: 1, replica: 3 ===================================== Write number: 5 Temperature: 0.900000 Total energy: -40.028605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.028605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.028605 (E_RNA) where: Base-Base interactions energy: -14.210 where: short stacking energy: -14.210 Base-Backbone interact. energy: -0.000 local terms energy: -25.818669 where: bonds (distance) C4'-P energy: -5.357 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -6.730 flat angles P-C4'-P energy: -3.287 tors. eta vs tors. theta energy: -4.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 5 Temperature: 0.950000 Total energy: -44.651719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.651719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.651719 (E_RNA) where: Base-Base interactions energy: -17.901 where: short stacking energy: -17.901 Base-Backbone interact. energy: -0.000 local terms energy: -26.750393 where: bonds (distance) C4'-P energy: -2.943 bonds (distance) P-C4' energy: -7.144 flat angles C4'-P-C4' energy: -6.328 flat angles P-C4'-P energy: -5.202 tors. eta vs tors. theta energy: -5.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 5 Temperature: 1.000000 Total energy: -40.973650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.973650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.973650 (E_RNA) where: Base-Base interactions energy: -18.579 where: short stacking energy: -18.579 Base-Backbone interact. energy: -0.000 local terms energy: -22.394816 where: bonds (distance) C4'-P energy: -4.877 bonds (distance) P-C4' energy: -5.076 flat angles C4'-P-C4' energy: -6.136 flat angles P-C4'-P energy: -2.851 tors. eta vs tors. theta energy: -3.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 5 Temperature: 1.050000 Total energy: -36.851230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.851230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.851230 (E_RNA) where: Base-Base interactions energy: -14.761 where: short stacking energy: -14.761 Base-Backbone interact. energy: -0.121 local terms energy: -21.968969 where: bonds (distance) C4'-P energy: -4.993 bonds (distance) P-C4' energy: -5.058 flat angles C4'-P-C4' energy: -4.742 flat angles P-C4'-P energy: -4.805 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: 6 ===================================== Write number: 5 Temperature: 1.100000 Total energy: -36.729770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.729770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.729770 (E_RNA) where: Base-Base interactions energy: -13.667 where: short stacking energy: -13.667 Base-Backbone interact. energy: -0.013 local terms energy: -23.049949 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -4.667 flat angles P-C4'-P energy: -4.706 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: 6, replica: 9 ===================================== Write number: 5 Temperature: 1.150000 Total energy: -35.843850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.843850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.843850 (E_RNA) where: Base-Base interactions energy: -14.487 where: short stacking energy: -14.487 Base-Backbone interact. energy: -0.001 local terms energy: -21.356235 where: bonds (distance) C4'-P energy: -4.967 bonds (distance) P-C4' energy: -5.530 flat angles C4'-P-C4' energy: -5.622 flat angles P-C4'-P energy: -2.789 tors. eta vs tors. theta energy: -2.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 5 Temperature: 1.200000 Total energy: -30.657897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.657897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.657897 (E_RNA) where: Base-Base interactions energy: -10.243 where: short stacking energy: -10.243 Base-Backbone interact. energy: -0.790 local terms energy: -19.624922 where: bonds (distance) C4'-P energy: -5.750 bonds (distance) P-C4' energy: -6.886 flat angles C4'-P-C4' energy: -4.383 flat angles P-C4'-P energy: -3.363 tors. eta vs tors. theta energy: 0.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 5 Temperature: 1.250000 Total energy: -32.509723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.509723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.509723 (E_RNA) where: Base-Base interactions energy: -12.188 where: short stacking energy: -12.188 Base-Backbone interact. energy: -0.000 local terms energy: -20.322161 where: bonds (distance) C4'-P energy: -5.075 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -4.825 flat angles P-C4'-P energy: -1.593 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: 9, replica: 10 ===================================== Write number: 5 Temperature: 1.300000 Total energy: -31.369712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.369712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.369712 (E_RNA) where: Base-Base interactions energy: -8.809 where: short stacking energy: -8.809 Base-Backbone interact. energy: -0.084 local terms energy: -22.476685 where: bonds (distance) C4'-P energy: -4.797 bonds (distance) P-C4' energy: -6.149 flat angles C4'-P-C4' energy: -3.985 flat angles P-C4'-P energy: -5.141 tors. eta vs tors. theta energy: -2.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 5 Temperature: 1.350000 Total energy: -30.177865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.177865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.177865 (E_RNA) where: Base-Base interactions energy: -10.581 where: short stacking energy: -10.581 Base-Backbone interact. energy: -0.098 local terms energy: -19.499304 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -6.382 flat angles C4'-P-C4' energy: -5.260 flat angles P-C4'-P energy: -3.717 tors. eta vs tors. theta energy: 0.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 6 Temperature: 0.900000 Total energy: -42.269547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.269547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.269547 (E_RNA) where: Base-Base interactions energy: -18.074 where: short stacking energy: -18.074 Base-Backbone interact. energy: -0.000 local terms energy: -24.195595 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -6.460 flat angles C4'-P-C4' energy: -5.692 flat angles P-C4'-P energy: -1.581 tors. eta vs tors. theta energy: -5.085 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: 2, replica: 3 ===================================== Write number: 6 Temperature: 0.950000 Total energy: -35.825367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.825367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.825367 (E_RNA) where: Base-Base interactions energy: -13.009 where: short stacking energy: -13.009 Base-Backbone interact. energy: -0.019 local terms energy: -22.797874 where: bonds (distance) C4'-P energy: -6.362 bonds (distance) P-C4' energy: -4.163 flat angles C4'-P-C4' energy: -4.554 flat angles P-C4'-P energy: -4.426 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: 3, replica: 5 ===================================== Write number: 6 Temperature: 1.000000 Total energy: -38.613037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.613037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.613037 (E_RNA) where: Base-Base interactions energy: -13.718 where: short stacking energy: -13.718 Base-Backbone interact. energy: -0.116 local terms energy: -24.779508 where: bonds (distance) C4'-P energy: -5.837 bonds (distance) P-C4' energy: -6.156 flat angles C4'-P-C4' energy: -4.892 flat angles P-C4'-P energy: -4.695 tors. eta vs tors. theta energy: -3.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 6 Temperature: 1.050000 Total energy: -37.408181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.408181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.408181 (E_RNA) where: Base-Base interactions energy: -12.675 where: short stacking energy: -12.675 Base-Backbone interact. energy: -0.000 local terms energy: -24.733321 where: bonds (distance) C4'-P energy: -5.953 bonds (distance) P-C4' energy: -6.177 flat angles C4'-P-C4' energy: -6.181 flat angles P-C4'-P energy: -3.744 tors. eta vs tors. theta energy: -2.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 6 Temperature: 1.100000 Total energy: -38.301544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.301544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.301544 (E_RNA) where: Base-Base interactions energy: -12.144 where: short stacking energy: -12.144 Base-Backbone interact. energy: -0.000 local terms energy: -26.157200 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -5.364 flat angles P-C4'-P energy: -1.321 tors. eta vs tors. theta energy: -7.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 6 Temperature: 1.150000 Total energy: -35.547977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.547977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.547977 (E_RNA) where: Base-Base interactions energy: -14.278 where: short stacking energy: -14.278 Base-Backbone interact. energy: -0.000 local terms energy: -21.269910 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -4.751 flat angles C4'-P-C4' energy: -6.328 flat angles P-C4'-P energy: -2.490 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: 7 ===================================== Write number: 6 Temperature: 1.200000 Total energy: -33.075431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.075431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.075431 (E_RNA) where: Base-Base interactions energy: -12.021 where: short stacking energy: -12.021 Base-Backbone interact. energy: -0.069 local terms energy: -20.985553 where: bonds (distance) C4'-P energy: -3.998 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -5.520 flat angles P-C4'-P energy: -2.919 tors. eta vs tors. theta energy: -2.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 6 Temperature: 1.250000 Total energy: -31.483081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.483081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.483081 (E_RNA) where: Base-Base interactions energy: -8.824 where: short stacking energy: -8.824 Base-Backbone interact. energy: -0.020 local terms energy: -22.638318 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -4.724 flat angles P-C4'-P energy: -3.802 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: 9, replica: 8 ===================================== Write number: 6 Temperature: 1.300000 Total energy: -25.947318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.947318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.947318 (E_RNA) where: Base-Base interactions energy: -7.806 where: short stacking energy: -7.806 Base-Backbone interact. energy: -0.007 local terms energy: -18.134977 where: bonds (distance) C4'-P energy: -4.408 bonds (distance) P-C4' energy: -5.205 flat angles C4'-P-C4' energy: -6.081 flat angles P-C4'-P energy: -2.734 tors. eta vs tors. theta energy: 0.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 6 Temperature: 1.350000 Total energy: -31.523369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.523369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.523369 (E_RNA) where: Base-Base interactions energy: -9.326 where: short stacking energy: -9.326 Base-Backbone interact. energy: -0.076 local terms energy: -22.120850 where: bonds (distance) C4'-P energy: -5.721 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.907 flat angles P-C4'-P energy: -4.831 tors. eta vs tors. theta energy: 1.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 7 Temperature: 0.900000 Total energy: -40.582580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.582580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.582580 (E_RNA) where: Base-Base interactions energy: -13.860 where: short stacking energy: -13.860 Base-Backbone interact. energy: -0.000 local terms energy: -26.721819 where: bonds (distance) C4'-P energy: -5.481 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -6.682 flat angles P-C4'-P energy: -3.659 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: 3 ===================================== Write number: 7 Temperature: 0.950000 Total energy: -41.639544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.639544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.639544 (E_RNA) where: Base-Base interactions energy: -16.714 where: short stacking energy: -16.714 Base-Backbone interact. energy: -0.000 local terms energy: -24.925878 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -5.609 flat angles P-C4'-P energy: -3.343 tors. eta vs tors. theta energy: -4.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 7 Temperature: 1.000000 Total energy: -32.567647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.567647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.567647 (E_RNA) where: Base-Base interactions energy: -11.509 where: short stacking energy: -11.509 Base-Backbone interact. energy: -0.059 local terms energy: -21.000277 where: bonds (distance) C4'-P energy: -5.659 bonds (distance) P-C4' energy: -6.199 flat angles C4'-P-C4' energy: -5.057 flat angles P-C4'-P energy: -3.695 tors. eta vs tors. theta energy: -0.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 7 Temperature: 1.050000 Total energy: -36.420585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.420585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.420585 (E_RNA) where: Base-Base interactions energy: -13.913 where: short stacking energy: -13.913 Base-Backbone interact. energy: -0.005 local terms energy: -22.502551 where: bonds (distance) C4'-P energy: -5.233 bonds (distance) P-C4' energy: -4.677 flat angles C4'-P-C4' energy: -5.728 flat angles P-C4'-P energy: -4.636 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: 5, replica: 2 ===================================== Write number: 7 Temperature: 1.100000 Total energy: -32.468767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.468767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.468767 (E_RNA) where: Base-Base interactions energy: -11.629 where: short stacking energy: -11.629 Base-Backbone interact. energy: -0.001 local terms energy: -20.838078 where: bonds (distance) C4'-P energy: -4.781 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -4.553 flat angles P-C4'-P energy: -2.995 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: 6, replica: 7 ===================================== Write number: 7 Temperature: 1.150000 Total energy: -32.978864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.978864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.978864 (E_RNA) where: Base-Base interactions energy: -10.217 where: short stacking energy: -10.217 Base-Backbone interact. energy: -0.064 local terms energy: -22.697104 where: bonds (distance) C4'-P energy: -4.631 bonds (distance) P-C4' energy: -4.530 flat angles C4'-P-C4' energy: -5.198 flat angles P-C4'-P energy: -3.279 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: 7, replica: 6 ===================================== Write number: 7 Temperature: 1.200000 Total energy: -32.200777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.200777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.200777 (E_RNA) where: Base-Base interactions energy: -12.165 where: short stacking energy: -12.165 Base-Backbone interact. energy: -0.001 local terms energy: -20.034424 where: bonds (distance) C4'-P energy: -5.145 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -4.645 flat angles P-C4'-P energy: -3.544 tors. eta vs tors. theta energy: -1.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 7 Temperature: 1.250000 Total energy: -30.400538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.400538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.400538 (E_RNA) where: Base-Base interactions energy: -7.725 where: short stacking energy: -7.725 Base-Backbone interact. energy: -0.294 local terms energy: -22.382221 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -5.569 flat angles C4'-P-C4' energy: -3.776 flat angles P-C4'-P energy: -5.068 tors. eta vs tors. theta energy: -2.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 7 Temperature: 1.300000 Total energy: -31.742417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.742417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.742417 (E_RNA) where: Base-Base interactions energy: -10.876 where: short stacking energy: -10.876 Base-Backbone interact. energy: -0.130 local terms energy: -20.737021 where: bonds (distance) C4'-P energy: -5.091 bonds (distance) P-C4' energy: -6.122 flat angles C4'-P-C4' energy: -5.019 flat angles P-C4'-P energy: -3.294 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: 10 ===================================== Write number: 7 Temperature: 1.350000 Total energy: -28.739581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.739581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.739581 (E_RNA) where: Base-Base interactions energy: -8.330 where: short stacking energy: -8.330 Base-Backbone interact. energy: -0.020 local terms energy: -20.388843 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -2.077 flat angles P-C4'-P energy: -3.312 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: 1 ===================================== Write number: 8 Temperature: 0.900000 Total energy: -43.210872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.210872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.210872 (E_RNA) where: Base-Base interactions energy: -16.942 where: short stacking energy: -16.942 Base-Backbone interact. energy: -0.007 local terms energy: -26.261834 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -4.326 flat angles P-C4'-P energy: -4.794 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: 2, replica: 3 ===================================== Write number: 8 Temperature: 0.950000 Total energy: -37.128195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.128195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.128195 (E_RNA) where: Base-Base interactions energy: -13.960 where: short stacking energy: -13.960 Base-Backbone interact. energy: -0.000 local terms energy: -23.168035 where: bonds (distance) C4'-P energy: -6.284 bonds (distance) P-C4' energy: -5.767 flat angles C4'-P-C4' energy: -4.938 flat angles P-C4'-P energy: -2.711 tors. eta vs tors. theta energy: -3.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 8 Temperature: 1.000000 Total energy: -39.531643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.531643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.531643 (E_RNA) where: Base-Base interactions energy: -12.286 where: short stacking energy: -12.286 Base-Backbone interact. energy: -0.000 local terms energy: -27.244853 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.389 flat angles C4'-P-C4' energy: -5.287 flat angles P-C4'-P energy: -4.322 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: 4, replica: 5 ===================================== Write number: 8 Temperature: 1.050000 Total energy: -33.821215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.821215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.821215 (E_RNA) where: Base-Base interactions energy: -11.624 where: short stacking energy: -11.624 Base-Backbone interact. energy: -0.004 local terms energy: -22.192538 where: bonds (distance) C4'-P energy: -5.953 bonds (distance) P-C4' energy: -4.293 flat angles C4'-P-C4' energy: -5.148 flat angles P-C4'-P energy: -3.094 tors. eta vs tors. theta energy: -3.704 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: 7 ===================================== Write number: 8 Temperature: 1.100000 Total energy: -35.297920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.297920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.297920 (E_RNA) where: Base-Base interactions energy: -13.931 where: short stacking energy: -13.931 Base-Backbone interact. energy: -0.014 local terms energy: -21.353448 where: bonds (distance) C4'-P energy: -5.004 bonds (distance) P-C4' energy: -6.914 flat angles C4'-P-C4' energy: -4.860 flat angles P-C4'-P energy: -4.004 tors. eta vs tors. theta energy: -0.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 8 Temperature: 1.150000 Total energy: -33.249410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.249410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.249410 (E_RNA) where: Base-Base interactions energy: -11.718 where: short stacking energy: -11.718 Base-Backbone interact. energy: -0.008 local terms energy: -21.522623 where: bonds (distance) C4'-P energy: -5.721 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -3.625 flat angles P-C4'-P energy: -5.385 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: 7, replica: 8 ===================================== Write number: 8 Temperature: 1.200000 Total energy: -37.023754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.023754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.023754 (E_RNA) where: Base-Base interactions energy: -15.344 where: short stacking energy: -15.344 Base-Backbone interact. energy: -0.010 local terms energy: -21.669943 where: bonds (distance) C4'-P energy: -4.363 bonds (distance) P-C4' energy: -6.189 flat angles C4'-P-C4' energy: -4.804 flat angles P-C4'-P energy: -2.530 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: 6 ===================================== Write number: 8 Temperature: 1.250000 Total energy: -31.395869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.395869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.395869 (E_RNA) where: Base-Base interactions energy: -8.324 where: short stacking energy: -7.797 Base-Backbone interact. energy: -0.067 local terms energy: -23.005047 where: bonds (distance) C4'-P energy: -5.518 bonds (distance) P-C4' energy: -5.600 flat angles C4'-P-C4' energy: -6.148 flat angles P-C4'-P energy: -4.846 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: 9, replica: 10 ===================================== Write number: 8 Temperature: 1.300000 Total energy: -34.487987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.487987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.487987 (E_RNA) where: Base-Base interactions energy: -11.014 where: short stacking energy: -11.014 Base-Backbone interact. energy: -0.124 local terms energy: -23.349214 where: bonds (distance) C4'-P energy: -5.117 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -4.829 flat angles P-C4'-P energy: -5.486 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: 10, replica: 4 ===================================== Write number: 8 Temperature: 1.350000 Total energy: -32.213783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.213783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.213783 (E_RNA) where: Base-Base interactions energy: -13.352 where: short stacking energy: -13.352 Base-Backbone interact. energy: -0.001 local terms energy: -18.860162 where: bonds (distance) C4'-P energy: -1.307 bonds (distance) P-C4' energy: -5.339 flat angles C4'-P-C4' energy: -5.346 flat angles P-C4'-P energy: -3.744 tors. eta vs tors. theta energy: -3.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 9 Temperature: 0.900000 Total energy: -40.785890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.785890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.785890 (E_RNA) where: Base-Base interactions energy: -17.603 where: short stacking energy: -17.603 Base-Backbone interact. energy: -0.000 local terms energy: -23.182856 where: bonds (distance) C4'-P energy: -4.647 bonds (distance) P-C4' energy: -3.972 flat angles C4'-P-C4' energy: -6.152 flat angles P-C4'-P energy: -5.389 tors. eta vs tors. theta energy: -3.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 9 Temperature: 0.950000 Total energy: -37.566863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.566863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.566863 (E_RNA) where: Base-Base interactions energy: -12.575 where: short stacking energy: -12.575 Base-Backbone interact. energy: -0.000 local terms energy: -24.991573 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -5.767 flat angles C4'-P-C4' energy: -6.156 flat angles P-C4'-P energy: -0.953 tors. eta vs tors. theta energy: -6.296 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: 9 Temperature: 1.000000 Total energy: -36.248167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.248167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.248167 (E_RNA) where: Base-Base interactions energy: -12.729 where: short stacking energy: -12.729 Base-Backbone interact. energy: -0.000 local terms energy: -23.519085 where: bonds (distance) C4'-P energy: -5.306 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -4.687 flat angles P-C4'-P energy: -4.561 tors. eta vs tors. theta energy: -2.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 9 Temperature: 1.050000 Total energy: -33.307943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.307943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.307943 (E_RNA) where: Base-Base interactions energy: -12.119 where: short stacking energy: -12.119 Base-Backbone interact. energy: -0.031 local terms energy: -21.158259 where: bonds (distance) C4'-P energy: -4.238 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -6.335 flat angles P-C4'-P energy: -4.211 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: 5, replica: 5 ===================================== Write number: 9 Temperature: 1.100000 Total energy: -31.898285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.898285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.898285 (E_RNA) where: Base-Base interactions energy: -9.666 where: short stacking energy: -9.666 Base-Backbone interact. energy: -0.000 local terms energy: -22.232674 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -5.537 flat angles C4'-P-C4' energy: -3.795 flat angles P-C4'-P energy: -4.103 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: 6, replica: 8 ===================================== Write number: 9 Temperature: 1.150000 Total energy: -35.010007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.010007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.010007 (E_RNA) where: Base-Base interactions energy: -14.973 where: short stacking energy: -14.973 Base-Backbone interact. energy: -0.000 local terms energy: -20.037357 where: bonds (distance) C4'-P energy: -4.747 bonds (distance) P-C4' energy: -6.445 flat angles C4'-P-C4' energy: -6.009 flat angles P-C4'-P energy: -1.969 tors. eta vs tors. theta energy: -0.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 9 Temperature: 1.200000 Total energy: -34.919868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.919868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.919868 (E_RNA) where: Base-Base interactions energy: -13.812 where: short stacking energy: -13.812 Base-Backbone interact. energy: -0.010 local terms energy: -21.098186 where: bonds (distance) C4'-P energy: -5.484 bonds (distance) P-C4' energy: -7.130 flat angles C4'-P-C4' energy: -3.005 flat angles P-C4'-P energy: -2.925 tors. eta vs tors. theta energy: -2.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 9 Temperature: 1.250000 Total energy: -31.106168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.106168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.106168 (E_RNA) where: Base-Base interactions energy: -9.451 where: short stacking energy: -9.451 Base-Backbone interact. energy: -0.001 local terms energy: -21.654278 where: bonds (distance) C4'-P energy: -5.572 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -6.076 flat angles P-C4'-P energy: -2.881 tors. eta vs tors. theta energy: 0.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 9 Temperature: 1.300000 Total energy: -29.162387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.162387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.162387 (E_RNA) where: Base-Base interactions energy: -9.685 where: short stacking energy: -9.685 Base-Backbone interact. energy: -0.000 local terms energy: -19.477809 where: bonds (distance) C4'-P energy: -5.659 bonds (distance) P-C4' energy: -4.942 flat angles C4'-P-C4' energy: -5.288 flat angles P-C4'-P energy: -2.283 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: 10, replica: 4 ===================================== Write number: 9 Temperature: 1.350000 Total energy: -30.238253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.238253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.238253 (E_RNA) where: Base-Base interactions energy: -10.022 where: short stacking energy: -10.022 Base-Backbone interact. energy: -0.003 local terms energy: -20.213136 where: bonds (distance) C4'-P energy: -5.617 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -5.160 flat angles P-C4'-P energy: -3.630 tors. eta vs tors. theta energy: 0.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 10 Temperature: 0.900000 Total energy: -36.928262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.928262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.928262 (E_RNA) where: Base-Base interactions energy: -15.446 where: short stacking energy: -15.446 Base-Backbone interact. energy: -0.001 local terms energy: -21.481222 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -5.534 flat angles C4'-P-C4' energy: -3.722 flat angles P-C4'-P energy: -3.792 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: 2, replica: 1 ===================================== Write number: 10 Temperature: 0.950000 Total energy: -41.994739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.994739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.994739 (E_RNA) where: Base-Base interactions energy: -17.682 where: short stacking energy: -17.682 Base-Backbone interact. energy: -0.000 local terms energy: -24.312754 where: bonds (distance) C4'-P energy: -3.353 bonds (distance) P-C4' energy: -6.389 flat angles C4'-P-C4' energy: -5.916 flat angles P-C4'-P energy: -3.415 tors. eta vs tors. theta energy: -5.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 10 Temperature: 1.000000 Total energy: -37.266997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.266997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.266997 (E_RNA) where: Base-Base interactions energy: -17.116 where: short stacking energy: -17.116 Base-Backbone interact. energy: -0.046 local terms energy: -20.105410 where: bonds (distance) C4'-P energy: -3.203 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -5.566 flat angles P-C4'-P energy: -4.026 tors. eta vs tors. theta energy: -1.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 10 Temperature: 1.050000 Total energy: -33.874039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.874039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.874039 (E_RNA) where: Base-Base interactions energy: -10.338 where: short stacking energy: -10.338 Base-Backbone interact. energy: -0.000 local terms energy: -23.535443 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -4.338 flat angles P-C4'-P energy: -4.532 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: 5, replica: 8 ===================================== Write number: 10 Temperature: 1.100000 Total energy: -33.377878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.377878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.377878 (E_RNA) where: Base-Base interactions energy: -13.215 where: short stacking energy: -13.215 Base-Backbone interact. energy: -0.069 local terms energy: -20.094006 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.625 flat angles C4'-P-C4' energy: -5.236 flat angles P-C4'-P energy: -2.701 tors. eta vs tors. theta energy: 0.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 10 Temperature: 1.150000 Total energy: -31.216195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.216195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.216195 (E_RNA) where: Base-Base interactions energy: -9.570 where: short stacking energy: -9.570 Base-Backbone interact. energy: -0.012 local terms energy: -21.634398 where: bonds (distance) C4'-P energy: -4.639 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.905 flat angles P-C4'-P energy: -3.877 tors. eta vs tors. theta energy: -0.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 10 Temperature: 1.200000 Total energy: -32.231372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.231372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.231372 (E_RNA) where: Base-Base interactions energy: -13.946 where: short stacking energy: -13.946 Base-Backbone interact. energy: -0.003 local terms energy: -18.282380 where: bonds (distance) C4'-P energy: -5.705 bonds (distance) P-C4' energy: -5.417 flat angles C4'-P-C4' energy: -4.762 flat angles P-C4'-P energy: -3.932 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: 8, replica: 10 ===================================== Write number: 10 Temperature: 1.250000 Total energy: -27.762727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.762727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.762727 (E_RNA) where: Base-Base interactions energy: -12.464 where: short stacking energy: -12.464 Base-Backbone interact. energy: -0.050 local terms energy: -15.248658 where: bonds (distance) C4'-P energy: -2.260 bonds (distance) P-C4' energy: -5.763 flat angles C4'-P-C4' energy: -3.041 flat angles P-C4'-P energy: -2.215 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: 4 ===================================== Write number: 10 Temperature: 1.300000 Total energy: -28.701251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.701251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.701251 (E_RNA) where: Base-Base interactions energy: -10.062 where: short stacking energy: -10.062 Base-Backbone interact. energy: -0.080 local terms energy: -18.558989 where: bonds (distance) C4'-P energy: -6.044 bonds (distance) P-C4' energy: -6.886 flat angles C4'-P-C4' energy: -2.569 flat angles P-C4'-P energy: -4.080 tors. eta vs tors. theta energy: 1.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 10 Temperature: 1.350000 Total energy: -27.953649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.953649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.953649 (E_RNA) where: Base-Base interactions energy: -8.655 where: short stacking energy: -8.655 Base-Backbone interact. energy: -0.044 local terms energy: -19.254076 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -4.599 flat angles P-C4'-P energy: -2.449 tors. eta vs tors. theta energy: 0.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 11 Temperature: 0.900000 Total energy: -39.666714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.666714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.666714 (E_RNA) where: Base-Base interactions energy: -14.294 where: short stacking energy: -14.294 Base-Backbone interact. energy: -0.000 local terms energy: -25.372530 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -6.045 flat angles P-C4'-P energy: -4.229 tors. eta vs tors. theta energy: -3.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 11 Temperature: 0.950000 Total energy: -37.251556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.251556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.251556 (E_RNA) where: Base-Base interactions energy: -14.749 where: short stacking energy: -14.749 Base-Backbone interact. energy: -0.026 local terms energy: -22.476391 where: bonds (distance) C4'-P energy: -6.105 bonds (distance) P-C4' energy: -4.230 flat angles C4'-P-C4' energy: -5.694 flat angles P-C4'-P energy: -3.672 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: 3, replica: 1 ===================================== Write number: 11 Temperature: 1.000000 Total energy: -37.171704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.171704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.171704 (E_RNA) where: Base-Base interactions energy: -11.297 where: short stacking energy: -11.297 Base-Backbone interact. energy: -0.050 local terms energy: -25.825506 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -6.141 flat angles P-C4'-P energy: -3.715 tors. eta vs tors. theta energy: -3.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 11 Temperature: 1.050000 Total energy: -43.586808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.586808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.586808 (E_RNA) where: Base-Base interactions energy: -17.467 where: short stacking energy: -17.467 Base-Backbone interact. energy: -0.000 local terms energy: -26.119406 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -5.572 flat angles C4'-P-C4' energy: -5.924 flat angles P-C4'-P energy: -5.592 tors. eta vs tors. theta energy: -3.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 11 Temperature: 1.100000 Total energy: -38.104024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.104024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.104024 (E_RNA) where: Base-Base interactions energy: -17.154 where: short stacking energy: -17.154 Base-Backbone interact. energy: -0.000 local terms energy: -20.950349 where: bonds (distance) C4'-P energy: -2.268 bonds (distance) P-C4' energy: -3.096 flat angles C4'-P-C4' energy: -5.466 flat angles P-C4'-P energy: -4.417 tors. eta vs tors. theta energy: -5.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 11 Temperature: 1.150000 Total energy: -37.010536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.010536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.010536 (E_RNA) where: Base-Base interactions energy: -10.967 where: short stacking energy: -10.967 Base-Backbone interact. energy: -0.024 local terms energy: -26.019819 where: bonds (distance) C4'-P energy: -5.882 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -5.753 flat angles P-C4'-P energy: -4.036 tors. eta vs tors. theta energy: -3.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 11 Temperature: 1.200000 Total energy: -33.639021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.639021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.639021 (E_RNA) where: Base-Base interactions energy: -9.464 where: short stacking energy: -9.464 Base-Backbone interact. energy: 0.103 local terms energy: -24.278324 where: bonds (distance) C4'-P energy: -5.580 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -6.183 flat angles P-C4'-P energy: -4.454 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: 8, replica: 4 ===================================== Write number: 11 Temperature: 1.250000 Total energy: -35.104795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.104795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.104795 (E_RNA) where: Base-Base interactions energy: -13.336 where: short stacking energy: -13.336 Base-Backbone interact. energy: -0.096 local terms energy: -21.672872 where: bonds (distance) C4'-P energy: -5.580 bonds (distance) P-C4' energy: -5.896 flat angles C4'-P-C4' energy: -5.258 flat angles P-C4'-P energy: -4.305 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: 10 ===================================== Write number: 11 Temperature: 1.300000 Total energy: -30.767392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.767392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.767392 (E_RNA) where: Base-Base interactions energy: -8.618 where: short stacking energy: -8.618 Base-Backbone interact. energy: -0.093 local terms energy: -22.056021 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -6.306 flat angles P-C4'-P energy: -2.680 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: 10, replica: 6 ===================================== Write number: 11 Temperature: 1.350000 Total energy: -34.035348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.035348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.035348 (E_RNA) where: Base-Base interactions energy: -11.139 where: short stacking energy: -11.139 Base-Backbone interact. energy: -0.100 local terms energy: -22.796671 where: bonds (distance) C4'-P energy: -3.966 bonds (distance) P-C4' energy: -5.889 flat angles C4'-P-C4' energy: -5.535 flat angles P-C4'-P energy: -3.755 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: 1, replica: 7 ===================================== Write number: 12 Temperature: 0.900000 Total energy: -36.318153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.318153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.318153 (E_RNA) where: Base-Base interactions energy: -12.455 where: short stacking energy: -12.455 Base-Backbone interact. energy: -0.097 local terms energy: -23.766141 where: bonds (distance) C4'-P energy: -5.233 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -6.221 flat angles P-C4'-P energy: -4.975 tors. eta vs tors. theta energy: -0.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 12 Temperature: 0.950000 Total energy: -32.735998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.735998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.735998 (E_RNA) where: Base-Base interactions energy: -10.089 where: short stacking energy: -10.089 Base-Backbone interact. energy: -0.037 local terms energy: -22.610200 where: bonds (distance) C4'-P energy: -5.125 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -5.905 flat angles P-C4'-P energy: -5.316 tors. eta vs tors. theta energy: 0.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 12 Temperature: 1.000000 Total energy: -36.753136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.753136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.753136 (E_RNA) where: Base-Base interactions energy: -11.144 where: short stacking energy: -11.144 Base-Backbone interact. energy: -0.000 local terms energy: -25.609385 where: bonds (distance) C4'-P energy: -4.525 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -6.324 flat angles P-C4'-P energy: -4.241 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: 4, replica: 1 ===================================== Write number: 12 Temperature: 1.050000 Total energy: -37.775272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.775272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.775272 (E_RNA) where: Base-Base interactions energy: -12.923 where: short stacking energy: -12.923 Base-Backbone interact. energy: -0.017 local terms energy: -24.835694 where: bonds (distance) C4'-P energy: -6.006 bonds (distance) P-C4' energy: -4.420 flat angles C4'-P-C4' energy: -6.010 flat angles P-C4'-P energy: -4.360 tors. eta vs tors. theta energy: -4.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 12 Temperature: 1.100000 Total energy: -38.454693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.454693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.454693 (E_RNA) where: Base-Base interactions energy: -13.415 where: short stacking energy: -13.415 Base-Backbone interact. energy: -0.000 local terms energy: -25.039792 where: bonds (distance) C4'-P energy: -4.761 bonds (distance) P-C4' energy: -6.199 flat angles C4'-P-C4' energy: -4.845 flat angles P-C4'-P energy: -3.278 tors. eta vs tors. theta energy: -5.956 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: 2 ===================================== Write number: 12 Temperature: 1.150000 Total energy: -29.378002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.378002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.378002 (E_RNA) where: Base-Base interactions energy: -9.865 where: short stacking energy: -9.897 Base-Backbone interact. energy: -0.177 local terms energy: -19.336054 where: bonds (distance) C4'-P energy: -5.348 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -5.020 flat angles P-C4'-P energy: -3.980 tors. eta vs tors. theta energy: 0.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 12 Temperature: 1.200000 Total energy: -37.357243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.357243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.357243 (E_RNA) where: Base-Base interactions energy: -13.577 where: short stacking energy: -13.577 Base-Backbone interact. energy: -0.002 local terms energy: -23.778104 where: bonds (distance) C4'-P energy: -5.199 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -4.918 flat angles P-C4'-P energy: -4.209 tors. eta vs tors. theta energy: -3.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 12 Temperature: 1.250000 Total energy: -31.829569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.829569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.829569 (E_RNA) where: Base-Base interactions energy: -7.731 where: short stacking energy: -7.731 Base-Backbone interact. energy: -0.006 local terms energy: -24.092945 where: bonds (distance) C4'-P energy: -4.293 bonds (distance) P-C4' energy: -6.442 flat angles C4'-P-C4' energy: -4.645 flat angles P-C4'-P energy: -3.420 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: 9, replica: 6 ===================================== Write number: 12 Temperature: 1.300000 Total energy: -33.901867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.901867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.901867 (E_RNA) where: Base-Base interactions energy: -9.900 where: short stacking energy: -8.150 Base-Backbone interact. energy: -0.023 local terms energy: -23.978800 where: bonds (distance) C4'-P energy: -5.191 bonds (distance) P-C4' energy: -5.576 flat angles C4'-P-C4' energy: -4.460 flat angles P-C4'-P energy: -4.827 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: 10, replica: 10 ===================================== Write number: 12 Temperature: 1.350000 Total energy: -26.207881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.207881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.207881 (E_RNA) where: Base-Base interactions energy: -7.140 where: short stacking energy: -7.140 Base-Backbone interact. energy: -0.093 local terms energy: -18.975330 where: bonds (distance) C4'-P energy: -3.079 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -3.418 flat angles P-C4'-P energy: -4.548 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: 7 ===================================== Write number: 13 Temperature: 0.900000 Total energy: -39.830909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.830909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.830909 (E_RNA) where: Base-Base interactions energy: -16.605 where: short stacking energy: -16.605 Base-Backbone interact. energy: -0.000 local terms energy: -23.225598 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -4.393 flat angles P-C4'-P energy: -2.821 tors. eta vs tors. theta energy: -2.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 13 Temperature: 0.950000 Total energy: -38.736931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.736931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.736931 (E_RNA) where: Base-Base interactions energy: -13.081 where: short stacking energy: -13.081 Base-Backbone interact. energy: -0.000 local terms energy: -25.656209 where: bonds (distance) C4'-P energy: -3.874 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -5.941 flat angles P-C4'-P energy: -4.041 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: 3, replica: 9 ===================================== Write number: 13 Temperature: 1.000000 Total energy: -40.613127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.613127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.613127 (E_RNA) where: Base-Base interactions energy: -16.245 where: short stacking energy: -16.245 Base-Backbone interact. energy: -0.024 local terms energy: -24.343965 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -4.019 flat angles P-C4'-P energy: -2.748 tors. eta vs tors. theta energy: -5.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 13 Temperature: 1.050000 Total energy: -34.526541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.526541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.526541 (E_RNA) where: Base-Base interactions energy: -8.519 where: short stacking energy: -8.519 Base-Backbone interact. energy: -0.005 local terms energy: -26.003181 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -6.405 flat angles P-C4'-P energy: -4.307 tors. eta vs tors. theta energy: -2.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 13 Temperature: 1.100000 Total energy: -30.309352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.309352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.309352 (E_RNA) where: Base-Base interactions energy: -12.007 where: short stacking energy: -12.007 Base-Backbone interact. energy: 0.384 local terms energy: -18.686771 where: bonds (distance) C4'-P energy: -4.727 bonds (distance) P-C4' energy: -4.917 flat angles C4'-P-C4' energy: -4.706 flat angles P-C4'-P energy: -4.717 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: 6, replica: 4 ===================================== Write number: 13 Temperature: 1.150000 Total energy: -36.775019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.775019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.775019 (E_RNA) where: Base-Base interactions energy: -14.771 where: short stacking energy: -14.771 Base-Backbone interact. energy: -0.000 local terms energy: -22.003615 where: bonds (distance) C4'-P energy: -4.496 bonds (distance) P-C4' energy: -6.122 flat angles C4'-P-C4' energy: -5.503 flat angles P-C4'-P energy: -2.454 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: 7, replica: 2 ===================================== Write number: 13 Temperature: 1.200000 Total energy: -32.298914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.298914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.298914 (E_RNA) where: Base-Base interactions energy: -11.040 where: short stacking energy: -11.040 Base-Backbone interact. energy: -0.001 local terms energy: -21.257797 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -6.622 flat angles C4'-P-C4' energy: -5.604 flat angles P-C4'-P energy: -3.061 tors. eta vs tors. theta energy: -0.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 13 Temperature: 1.250000 Total energy: -29.866057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.866057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.866057 (E_RNA) where: Base-Base interactions energy: -11.466 where: short stacking energy: -11.466 Base-Backbone interact. energy: -0.004 local terms energy: -18.395910 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.219 flat angles P-C4'-P energy: -2.774 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: 9, replica: 5 ===================================== Write number: 13 Temperature: 1.300000 Total energy: -34.775316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.775316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.775316 (E_RNA) where: Base-Base interactions energy: -13.336 where: short stacking energy: -13.336 Base-Backbone interact. energy: -0.002 local terms energy: -21.437608 where: bonds (distance) C4'-P energy: -4.619 bonds (distance) P-C4' energy: -5.083 flat angles C4'-P-C4' energy: -6.163 flat angles P-C4'-P energy: -1.283 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: 10, replica: 10 ===================================== Write number: 13 Temperature: 1.350000 Total energy: -33.374520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.374520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.374520 (E_RNA) where: Base-Base interactions energy: -13.387 where: short stacking energy: -13.387 Base-Backbone interact. energy: -0.002 local terms energy: -19.985996 where: bonds (distance) C4'-P energy: -1.942 bonds (distance) P-C4' energy: -4.466 flat angles C4'-P-C4' energy: -5.588 flat angles P-C4'-P energy: -4.078 tors. eta vs tors. theta energy: -3.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 14 Temperature: 0.900000 Total energy: -34.386321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.386321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.386321 (E_RNA) where: Base-Base interactions energy: -10.913 where: short stacking energy: -10.913 Base-Backbone interact. energy: -0.000 local terms energy: -23.472502 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -5.617 flat angles P-C4'-P energy: -5.027 tors. eta vs tors. theta energy: -0.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 14 Temperature: 0.950000 Total energy: -38.830876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.830876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.830876 (E_RNA) where: Base-Base interactions energy: -13.878 where: short stacking energy: -13.878 Base-Backbone interact. energy: -0.001 local terms energy: -24.951921 where: bonds (distance) C4'-P energy: -5.837 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -5.149 flat angles P-C4'-P energy: -4.845 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: 1 ===================================== Write number: 14 Temperature: 1.000000 Total energy: -34.289871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.289871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.289871 (E_RNA) where: Base-Base interactions energy: -14.333 where: short stacking energy: -14.333 Base-Backbone interact. energy: -0.036 local terms energy: -19.921511 where: bonds (distance) C4'-P energy: -4.781 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -3.736 flat angles P-C4'-P energy: -2.856 tors. eta vs tors. theta energy: -1.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 14 Temperature: 1.050000 Total energy: -34.346548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.346548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.346548 (E_RNA) where: Base-Base interactions energy: -13.620 where: short stacking energy: -13.620 Base-Backbone interact. energy: -0.014 local terms energy: -20.712173 where: bonds (distance) C4'-P energy: -4.631 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -5.180 flat angles P-C4'-P energy: -2.466 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: 5, replica: 4 ===================================== Write number: 14 Temperature: 1.100000 Total energy: -33.505365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.505365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.505365 (E_RNA) where: Base-Base interactions energy: -10.033 where: short stacking energy: -10.033 Base-Backbone interact. energy: -0.001 local terms energy: -23.470825 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -5.374 flat angles P-C4'-P energy: -4.017 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: 6, replica: 3 ===================================== Write number: 14 Temperature: 1.150000 Total energy: -38.579492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.579492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.579492 (E_RNA) where: Base-Base interactions energy: -14.568 where: short stacking energy: -14.568 Base-Backbone interact. energy: -0.000 local terms energy: -24.011783 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -6.407 flat angles C4'-P-C4' energy: -6.492 flat angles P-C4'-P energy: -3.929 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: 6 ===================================== Write number: 14 Temperature: 1.200000 Total energy: -29.333660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.333660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.333660 (E_RNA) where: Base-Base interactions energy: -13.897 where: short stacking energy: -13.897 Base-Backbone interact. energy: -0.001 local terms energy: -15.435410 where: bonds (distance) C4'-P energy: -4.011 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -3.303 flat angles P-C4'-P energy: 1.160 tors. eta vs tors. theta energy: -2.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 14 Temperature: 1.250000 Total energy: -32.410182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.410182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.410182 (E_RNA) where: Base-Base interactions energy: -12.624 where: short stacking energy: -12.624 Base-Backbone interact. energy: -0.038 local terms energy: -19.748726 where: bonds (distance) C4'-P energy: -5.125 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -3.491 flat angles P-C4'-P energy: -3.389 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: 9, replica: 10 ===================================== Write number: 14 Temperature: 1.300000 Total energy: -32.531520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.531520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.531520 (E_RNA) where: Base-Base interactions energy: -9.797 where: short stacking energy: -9.797 Base-Backbone interact. energy: -0.020 local terms energy: -22.714112 where: bonds (distance) C4'-P energy: -5.456 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -4.495 flat angles P-C4'-P energy: -4.968 tors. eta vs tors. theta energy: -1.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 14 Temperature: 1.350000 Total energy: -31.842054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.842054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.842054 (E_RNA) where: Base-Base interactions energy: -12.832 where: short stacking energy: -12.832 Base-Backbone interact. energy: 0.233 local terms energy: -19.243082 where: bonds (distance) C4'-P energy: -5.484 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -2.175 flat angles P-C4'-P energy: -3.471 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: 1, replica: 8 ===================================== Write number: 15 Temperature: 0.900000 Total energy: -40.474130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.474130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.474130 (E_RNA) where: Base-Base interactions energy: -18.711 where: short stacking energy: -18.711 Base-Backbone interact. energy: -0.004 local terms energy: -21.759017 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -5.512 flat angles C4'-P-C4' energy: -4.455 flat angles P-C4'-P energy: -3.639 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: 2, replica: 1 ===================================== Write number: 15 Temperature: 0.950000 Total energy: -42.546036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.546036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.546036 (E_RNA) where: Base-Base interactions energy: -15.186 where: short stacking energy: -15.186 Base-Backbone interact. energy: -0.000 local terms energy: -27.359539 where: bonds (distance) C4'-P energy: -4.611 bonds (distance) P-C4' energy: -5.368 flat angles C4'-P-C4' energy: -5.881 flat angles P-C4'-P energy: -4.159 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: 3, replica: 7 ===================================== Write number: 15 Temperature: 1.000000 Total energy: -36.750950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.750950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.750950 (E_RNA) where: Base-Base interactions energy: -13.569 where: short stacking energy: -13.569 Base-Backbone interact. energy: -0.001 local terms energy: -23.181368 where: bonds (distance) C4'-P energy: -5.277 bonds (distance) P-C4' energy: -5.594 flat angles C4'-P-C4' energy: -5.257 flat angles P-C4'-P energy: -4.211 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: 4, replica: 4 ===================================== Write number: 15 Temperature: 1.050000 Total energy: -32.243199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.243199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.243199 (E_RNA) where: Base-Base interactions energy: -9.941 where: short stacking energy: -9.941 Base-Backbone interact. energy: -0.000 local terms energy: -22.301647 where: bonds (distance) C4'-P energy: -4.371 bonds (distance) P-C4' energy: -6.149 flat angles C4'-P-C4' energy: -5.461 flat angles P-C4'-P energy: -5.102 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: 5, replica: 9 ===================================== Write number: 15 Temperature: 1.100000 Total energy: -33.659967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.659967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.659967 (E_RNA) where: Base-Base interactions energy: -9.955 where: short stacking energy: -9.955 Base-Backbone interact. energy: -0.017 local terms energy: -23.687958 where: bonds (distance) C4'-P energy: -5.696 bonds (distance) P-C4' energy: -5.537 flat angles C4'-P-C4' energy: -5.905 flat angles P-C4'-P energy: -5.086 tors. eta vs tors. theta energy: -1.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 15 Temperature: 1.150000 Total energy: -33.372486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.372486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.372486 (E_RNA) where: Base-Base interactions energy: -11.814 where: short stacking energy: -11.814 Base-Backbone interact. energy: -0.020 local terms energy: -21.537718 where: bonds (distance) C4'-P energy: -5.484 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -5.341 flat angles P-C4'-P energy: -2.651 tors. eta vs tors. theta energy: -1.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 15 Temperature: 1.200000 Total energy: -32.088983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.088983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.088983 (E_RNA) where: Base-Base interactions energy: -7.491 where: short stacking energy: -7.491 Base-Backbone interact. energy: -0.007 local terms energy: -24.591262 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -6.295 flat angles P-C4'-P energy: -3.604 tors. eta vs tors. theta energy: -2.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 15 Temperature: 1.250000 Total energy: -29.755266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.755266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.755266 (E_RNA) where: Base-Base interactions energy: -10.294 where: short stacking energy: -10.294 Base-Backbone interact. energy: -0.003 local terms energy: -19.458307 where: bonds (distance) C4'-P energy: -3.021 bonds (distance) P-C4' energy: -5.051 flat angles C4'-P-C4' energy: -5.945 flat angles P-C4'-P energy: -4.547 tors. eta vs tors. theta energy: -0.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 15 Temperature: 1.300000 Total energy: -33.898175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.898175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.898175 (E_RNA) where: Base-Base interactions energy: -10.679 where: short stacking energy: -10.679 Base-Backbone interact. energy: -0.102 local terms energy: -23.117398 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -3.778 flat angles P-C4'-P energy: -4.728 tors. eta vs tors. theta energy: -2.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 15 Temperature: 1.350000 Total energy: -29.027797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.027797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.027797 (E_RNA) where: Base-Base interactions energy: -11.227 where: short stacking energy: -11.227 Base-Backbone interact. energy: -0.000 local terms energy: -17.800277 where: bonds (distance) C4'-P energy: -5.128 bonds (distance) P-C4' energy: -5.594 flat angles C4'-P-C4' energy: -5.958 flat angles P-C4'-P energy: 0.106 tors. eta vs tors. theta energy: -1.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 16 Temperature: 0.900000 Total energy: -41.947859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.947859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.947859 (E_RNA) where: Base-Base interactions energy: -16.024 where: short stacking energy: -16.024 Base-Backbone interact. energy: -0.001 local terms energy: -25.923350 where: bonds (distance) C4'-P energy: -4.126 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -6.294 flat angles P-C4'-P energy: -3.434 tors. eta vs tors. theta energy: -5.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 16 Temperature: 0.950000 Total energy: -42.503500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.503500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.503500 (E_RNA) where: Base-Base interactions energy: -14.684 where: short stacking energy: -14.684 Base-Backbone interact. energy: 0.177 local terms energy: -27.996740 where: bonds (distance) C4'-P energy: -4.993 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.968 flat angles P-C4'-P energy: -3.359 tors. eta vs tors. theta energy: -6.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 16 Temperature: 1.000000 Total energy: -39.787973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.787973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.787973 (E_RNA) where: Base-Base interactions energy: -14.394 where: short stacking energy: -14.394 Base-Backbone interact. energy: -0.000 local terms energy: -25.394144 where: bonds (distance) C4'-P energy: -5.199 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -4.910 flat angles P-C4'-P energy: -3.273 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: 4, replica: 7 ===================================== Write number: 16 Temperature: 1.050000 Total energy: -35.702376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.702376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.702376 (E_RNA) where: Base-Base interactions energy: -12.876 where: short stacking energy: -12.876 Base-Backbone interact. energy: -0.074 local terms energy: -22.752227 where: bonds (distance) C4'-P energy: -5.729 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -5.247 flat angles P-C4'-P energy: -4.469 tors. eta vs tors. theta energy: -0.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 16 Temperature: 1.100000 Total energy: -32.852033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.852033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.852033 (E_RNA) where: Base-Base interactions energy: -8.604 where: short stacking energy: -8.604 Base-Backbone interact. energy: -0.001 local terms energy: -24.247196 where: bonds (distance) C4'-P energy: -6.044 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.447 flat angles P-C4'-P energy: -3.638 tors. eta vs tors. theta energy: -2.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 16 Temperature: 1.150000 Total energy: -35.947708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.947708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.947708 (E_RNA) where: Base-Base interactions energy: -14.778 where: short stacking energy: -14.778 Base-Backbone interact. energy: 0.882 local terms energy: -22.051158 where: bonds (distance) C4'-P energy: -4.533 bonds (distance) P-C4' energy: -6.442 flat angles C4'-P-C4' energy: -3.679 flat angles P-C4'-P energy: -2.532 tors. eta vs tors. theta energy: -4.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 16 Temperature: 1.200000 Total energy: -30.422798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.422798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.422798 (E_RNA) where: Base-Base interactions energy: -7.613 where: short stacking energy: -7.613 Base-Backbone interact. energy: -0.092 local terms energy: -22.718380 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -5.234 flat angles P-C4'-P energy: -3.949 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: 8, replica: 3 ===================================== Write number: 16 Temperature: 1.250000 Total energy: -28.851778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.851778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.851778 (E_RNA) where: Base-Base interactions energy: -7.498 where: short stacking energy: -7.498 Base-Backbone interact. energy: -0.103 local terms energy: -21.251241 where: bonds (distance) C4'-P energy: -5.091 bonds (distance) P-C4' energy: -5.931 flat angles C4'-P-C4' energy: -4.794 flat angles P-C4'-P energy: -3.135 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: 5 ===================================== Write number: 16 Temperature: 1.300000 Total energy: -32.182153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.182153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.182153 (E_RNA) where: Base-Base interactions energy: -12.438 where: short stacking energy: -12.438 Base-Backbone interact. energy: -0.000 local terms energy: -19.744020 where: bonds (distance) C4'-P energy: -5.473 bonds (distance) P-C4' energy: -3.874 flat angles C4'-P-C4' energy: -3.229 flat angles P-C4'-P energy: -3.527 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: 2 ===================================== Write number: 16 Temperature: 1.350000 Total energy: -31.631406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.631406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.631406 (E_RNA) where: Base-Base interactions energy: -11.819 where: short stacking energy: -11.819 Base-Backbone interact. energy: -0.000 local terms energy: -19.812060 where: bonds (distance) C4'-P energy: -5.456 bonds (distance) P-C4' energy: -3.206 flat angles C4'-P-C4' energy: -4.253 flat angles P-C4'-P energy: -4.309 tors. eta vs tors. theta energy: -2.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 17 Temperature: 0.900000 Total energy: -44.286697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.286697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.286697 (E_RNA) where: Base-Base interactions energy: -17.912 where: short stacking energy: -17.912 Base-Backbone interact. energy: -0.000 local terms energy: -26.374334 where: bonds (distance) C4'-P energy: -5.716 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.904 flat angles P-C4'-P energy: -4.119 tors. eta vs tors. theta energy: -3.993 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: 4 ===================================== Write number: 17 Temperature: 0.950000 Total energy: -39.397895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.397895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.397895 (E_RNA) where: Base-Base interactions energy: -17.670 where: short stacking energy: -17.670 Base-Backbone interact. energy: -0.000 local terms energy: -21.727856 where: bonds (distance) C4'-P energy: -4.773 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -4.796 flat angles P-C4'-P energy: -2.272 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: 3, replica: 8 ===================================== Write number: 17 Temperature: 1.000000 Total energy: -32.275438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.275438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.275438 (E_RNA) where: Base-Base interactions energy: -8.473 where: short stacking energy: -8.473 Base-Backbone interact. energy: -0.053 local terms energy: -23.749276 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -5.935 flat angles C4'-P-C4' energy: -5.959 flat angles P-C4'-P energy: -5.126 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: 4, replica: 6 ===================================== Write number: 17 Temperature: 1.050000 Total energy: -37.040954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.040954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.040954 (E_RNA) where: Base-Base interactions energy: -13.446 where: short stacking energy: -13.446 Base-Backbone interact. energy: -0.041 local terms energy: -23.553906 where: bonds (distance) C4'-P energy: -4.735 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -5.370 flat angles P-C4'-P energy: -4.822 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: 5, replica: 7 ===================================== Write number: 17 Temperature: 1.100000 Total energy: -36.459667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.459667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.459667 (E_RNA) where: Base-Base interactions energy: -12.404 where: short stacking energy: -12.404 Base-Backbone interact. energy: -0.000 local terms energy: -24.055372 where: bonds (distance) C4'-P energy: -4.673 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -5.896 flat angles P-C4'-P energy: -4.184 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: 6, replica: 10 ===================================== Write number: 17 Temperature: 1.150000 Total energy: -36.315843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.315843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.315843 (E_RNA) where: Base-Base interactions energy: -13.259 where: short stacking energy: -13.259 Base-Backbone interact. energy: -0.020 local terms energy: -23.037017 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -5.804 flat angles P-C4'-P energy: -4.077 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: 7, replica: 9 ===================================== Write number: 17 Temperature: 1.200000 Total energy: -31.980173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.980173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.980173 (E_RNA) where: Base-Base interactions energy: -12.109 where: short stacking energy: -12.109 Base-Backbone interact. energy: -0.000 local terms energy: -19.871119 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -3.868 flat angles P-C4'-P energy: -3.441 tors. eta vs tors. theta energy: -0.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 17 Temperature: 1.250000 Total energy: -29.619108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.619108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.619108 (E_RNA) where: Base-Base interactions energy: -5.838 where: short stacking energy: -5.838 Base-Backbone interact. energy: -0.009 local terms energy: -23.771892 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -5.956 flat angles C4'-P-C4' energy: -5.127 flat angles P-C4'-P energy: -4.720 tors. eta vs tors. theta energy: -1.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 17 Temperature: 1.300000 Total energy: -32.412797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.412797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.412797 (E_RNA) where: Base-Base interactions energy: -11.120 where: short stacking energy: -11.120 Base-Backbone interact. energy: -0.000 local terms energy: -21.292728 where: bonds (distance) C4'-P energy: -4.747 bonds (distance) P-C4' energy: -5.135 flat angles C4'-P-C4' energy: -4.994 flat angles P-C4'-P energy: -4.439 tors. eta vs tors. theta energy: -1.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 17 Temperature: 1.350000 Total energy: -30.176786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.176786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.176786 (E_RNA) where: Base-Base interactions energy: -10.030 where: short stacking energy: -10.030 Base-Backbone interact. energy: -0.012 local terms energy: -20.135085 where: bonds (distance) C4'-P energy: -5.427 bonds (distance) P-C4' energy: -3.656 flat angles C4'-P-C4' energy: -5.219 flat angles P-C4'-P energy: -3.126 tors. eta vs tors. theta energy: -2.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 18 Temperature: 0.900000 Total energy: -39.693017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.693017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.693017 (E_RNA) where: Base-Base interactions energy: -17.851 where: short stacking energy: -17.851 Base-Backbone interact. energy: -0.001 local terms energy: -21.841301 where: bonds (distance) C4'-P energy: -3.803 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -3.841 flat angles P-C4'-P energy: -4.322 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: 2, replica: 1 ===================================== Write number: 18 Temperature: 0.950000 Total energy: -40.023067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.023067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.023067 (E_RNA) where: Base-Base interactions energy: -13.855 where: short stacking energy: -13.855 Base-Backbone interact. energy: -0.000 local terms energy: -26.167841 where: bonds (distance) C4'-P energy: -5.766 bonds (distance) P-C4' energy: -6.457 flat angles C4'-P-C4' energy: -5.217 flat angles P-C4'-P energy: -3.224 tors. eta vs tors. theta energy: -5.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 18 Temperature: 1.000000 Total energy: -34.378313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.378313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.378313 (E_RNA) where: Base-Base interactions energy: -12.147 where: short stacking energy: -12.147 Base-Backbone interact. energy: -0.000 local terms energy: -22.231551 where: bonds (distance) C4'-P energy: -4.975 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -4.363 flat angles P-C4'-P energy: -2.780 tors. eta vs tors. theta energy: -3.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 18 Temperature: 1.050000 Total energy: -40.181228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.181228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.181228 (E_RNA) where: Base-Base interactions energy: -16.912 where: short stacking energy: -16.912 Base-Backbone interact. energy: -0.002 local terms energy: -23.267049 where: bonds (distance) C4'-P energy: -3.659 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -6.051 flat angles P-C4'-P energy: -2.358 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: 5, replica: 10 ===================================== Write number: 18 Temperature: 1.100000 Total energy: -33.645261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.645261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.645261 (E_RNA) where: Base-Base interactions energy: -9.610 where: short stacking energy: -9.610 Base-Backbone interact. energy: -0.001 local terms energy: -24.034296 where: bonds (distance) C4'-P energy: -4.694 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.121 flat angles P-C4'-P energy: -4.409 tors. eta vs tors. theta energy: -3.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 18 Temperature: 1.150000 Total energy: -37.423255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.423255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.423255 (E_RNA) where: Base-Base interactions energy: -13.304 where: short stacking energy: -13.304 Base-Backbone interact. energy: -0.001 local terms energy: -24.118367 where: bonds (distance) C4'-P energy: -6.453 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -5.165 flat angles P-C4'-P energy: -4.588 tors. eta vs tors. theta energy: -2.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 18 Temperature: 1.200000 Total energy: -31.940372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.940372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.940372 (E_RNA) where: Base-Base interactions energy: -8.951 where: short stacking energy: -8.951 Base-Backbone interact. energy: -0.000 local terms energy: -22.989212 where: bonds (distance) C4'-P energy: -5.501 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -5.151 flat angles P-C4'-P energy: -5.117 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: 8, replica: 9 ===================================== Write number: 18 Temperature: 1.250000 Total energy: -33.794808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.794808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.794808 (E_RNA) where: Base-Base interactions energy: -11.460 where: short stacking energy: -11.493 Base-Backbone interact. energy: -0.001 local terms energy: -22.333297 where: bonds (distance) C4'-P energy: -4.425 bonds (distance) P-C4' energy: -5.597 flat angles C4'-P-C4' energy: -5.297 flat angles P-C4'-P energy: -3.716 tors. eta vs tors. theta energy: -3.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 18 Temperature: 1.300000 Total energy: -32.034476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.034476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.034476 (E_RNA) where: Base-Base interactions energy: -8.344 where: short stacking energy: -8.344 Base-Backbone interact. energy: -0.031 local terms energy: -23.660361 where: bonds (distance) C4'-P energy: -4.107 bonds (distance) P-C4' energy: -5.956 flat angles C4'-P-C4' energy: -5.975 flat angles P-C4'-P energy: -4.405 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: 10, replica: 3 ===================================== Write number: 18 Temperature: 1.350000 Total energy: -28.568527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.568527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.568527 (E_RNA) where: Base-Base interactions energy: -11.610 where: short stacking energy: -11.610 Base-Backbone interact. energy: -0.017 local terms energy: -16.941808 where: bonds (distance) C4'-P energy: -1.958 bonds (distance) P-C4' energy: -5.671 flat angles C4'-P-C4' energy: -5.780 flat angles P-C4'-P energy: -4.875 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: 1, replica: 4 ===================================== Write number: 19 Temperature: 0.900000 Total energy: -37.985352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.985352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.985352 (E_RNA) where: Base-Base interactions energy: -13.945 where: short stacking energy: -13.945 Base-Backbone interact. energy: -0.002 local terms energy: -24.038338 where: bonds (distance) C4'-P energy: -4.996 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -5.846 flat angles P-C4'-P energy: -4.890 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: 2, replica: 1 ===================================== Write number: 19 Temperature: 0.950000 Total energy: -41.166409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.166409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.166409 (E_RNA) where: Base-Base interactions energy: -18.864 where: short stacking energy: -18.864 Base-Backbone interact. energy: -0.000 local terms energy: -22.302353 where: bonds (distance) C4'-P energy: -4.214 bonds (distance) P-C4' energy: -5.631 flat angles C4'-P-C4' energy: -6.122 flat angles P-C4'-P energy: -4.140 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: 6 ===================================== Write number: 19 Temperature: 1.000000 Total energy: -39.377718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.377718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.377718 (E_RNA) where: Base-Base interactions energy: -12.001 where: short stacking energy: -12.001 Base-Backbone interact. energy: -0.000 local terms energy: -27.376708 where: bonds (distance) C4'-P energy: -4.392 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -3.840 flat angles P-C4'-P energy: -5.201 tors. eta vs tors. theta energy: -7.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 19 Temperature: 1.050000 Total energy: -35.760135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.760135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.760135 (E_RNA) where: Base-Base interactions energy: -13.017 where: short stacking energy: -13.017 Base-Backbone interact. energy: -0.007 local terms energy: -22.735907 where: bonds (distance) C4'-P energy: -3.928 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -4.878 flat angles P-C4'-P energy: -3.867 tors. eta vs tors. theta energy: -3.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 19 Temperature: 1.100000 Total energy: -34.093865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.093865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.093865 (E_RNA) where: Base-Base interactions energy: -12.647 where: short stacking energy: -12.647 Base-Backbone interact. energy: -0.000 local terms energy: -21.447205 where: bonds (distance) C4'-P energy: -5.315 bonds (distance) P-C4' energy: -4.274 flat angles C4'-P-C4' energy: -5.243 flat angles P-C4'-P energy: -4.234 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: 6, replica: 5 ===================================== Write number: 19 Temperature: 1.150000 Total energy: -32.887673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.887673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.887673 (E_RNA) where: Base-Base interactions energy: -8.981 where: short stacking energy: -8.981 Base-Backbone interact. energy: -0.099 local terms energy: -23.807835 where: bonds (distance) C4'-P energy: -5.750 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -5.424 flat angles P-C4'-P energy: -4.482 tors. eta vs tors. theta energy: -1.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 19 Temperature: 1.200000 Total energy: -30.180862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.180862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.180862 (E_RNA) where: Base-Base interactions energy: -11.800 where: short stacking energy: -11.800 Base-Backbone interact. energy: 0.617 local terms energy: -18.997873 where: bonds (distance) C4'-P energy: -5.117 bonds (distance) P-C4' energy: -5.466 flat angles C4'-P-C4' energy: -5.060 flat angles P-C4'-P energy: -2.403 tors. eta vs tors. theta energy: -0.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 19 Temperature: 1.250000 Total energy: -36.075863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.075863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.075863 (E_RNA) where: Base-Base interactions energy: -10.563 where: short stacking energy: -10.563 Base-Backbone interact. energy: -0.000 local terms energy: -25.513005 where: bonds (distance) C4'-P energy: -4.905 bonds (distance) P-C4' energy: -6.149 flat angles C4'-P-C4' energy: -5.976 flat angles P-C4'-P energy: -4.264 tors. eta vs tors. theta energy: -4.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 19 Temperature: 1.300000 Total energy: -30.335296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.335296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.335296 (E_RNA) where: Base-Base interactions energy: -13.070 where: short stacking energy: -13.070 Base-Backbone interact. energy: -0.109 local terms energy: -17.156785 where: bonds (distance) C4'-P energy: -2.873 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -4.497 flat angles P-C4'-P energy: -4.115 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: 10, replica: 3 ===================================== Write number: 19 Temperature: 1.350000 Total energy: -28.849860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.849860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.849860 (E_RNA) where: Base-Base interactions energy: -8.965 where: short stacking energy: -8.965 Base-Backbone interact. energy: -0.001 local terms energy: -19.883423 where: bonds (distance) C4'-P energy: -3.183 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -6.305 flat angles P-C4'-P energy: -2.379 tors. eta vs tors. theta energy: -0.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 20 Temperature: 0.900000 Total energy: -38.063603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.063603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.063603 (E_RNA) where: Base-Base interactions energy: -16.094 where: short stacking energy: -16.094 Base-Backbone interact. energy: -0.008 local terms energy: -21.961487 where: bonds (distance) C4'-P energy: -5.117 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -5.044 flat angles P-C4'-P energy: -0.425 tors. eta vs tors. theta energy: -5.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 20 Temperature: 0.950000 Total energy: -35.758044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.758044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.758044 (E_RNA) where: Base-Base interactions energy: -14.137 where: short stacking energy: -9.463 Base-Backbone interact. energy: -0.033 local terms energy: -21.588183 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -4.189 flat angles P-C4'-P energy: -4.043 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: 3, replica: 8 ===================================== Write number: 20 Temperature: 1.000000 Total energy: -36.368898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.368898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.368898 (E_RNA) where: Base-Base interactions energy: -11.385 where: short stacking energy: -11.385 Base-Backbone interact. energy: -0.001 local terms energy: -24.982472 where: bonds (distance) C4'-P energy: -4.016 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -6.217 flat angles P-C4'-P energy: -5.396 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: 4, replica: 6 ===================================== Write number: 20 Temperature: 1.050000 Total energy: -35.252215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.252215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.252215 (E_RNA) where: Base-Base interactions energy: -11.753 where: short stacking energy: -11.753 Base-Backbone interact. energy: -0.001 local terms energy: -23.497689 where: bonds (distance) C4'-P energy: -5.261 bonds (distance) P-C4' energy: -5.966 flat angles C4'-P-C4' energy: -5.921 flat angles P-C4'-P energy: -4.425 tors. eta vs tors. theta energy: -1.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 20 Temperature: 1.100000 Total energy: -33.219207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.219207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.219207 (E_RNA) where: Base-Base interactions energy: -12.116 where: short stacking energy: -12.116 Base-Backbone interact. energy: -0.001 local terms energy: -21.102676 where: bonds (distance) C4'-P energy: -5.249 bonds (distance) P-C4' energy: -3.868 flat angles C4'-P-C4' energy: -5.953 flat angles P-C4'-P energy: -3.712 tors. eta vs tors. theta energy: -2.321 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: 6, replica: 10 ===================================== Write number: 20 Temperature: 1.150000 Total energy: -34.712011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.712011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.712011 (E_RNA) where: Base-Base interactions energy: -9.297 where: short stacking energy: -9.297 Base-Backbone interact. energy: -0.000 local terms energy: -25.414473 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -4.854 flat angles C4'-P-C4' energy: -6.052 flat angles P-C4'-P energy: -4.200 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: 7, replica: 7 ===================================== Write number: 20 Temperature: 1.200000 Total energy: -29.842041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.842041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.842041 (E_RNA) where: Base-Base interactions energy: -7.045 where: short stacking energy: -7.045 Base-Backbone interact. energy: -0.010 local terms energy: -22.786611 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -6.030 flat angles P-C4'-P energy: -3.981 tors. eta vs tors. theta energy: -0.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 20 Temperature: 1.250000 Total energy: -27.104453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.104453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.104453 (E_RNA) where: Base-Base interactions energy: -8.824 where: short stacking energy: -8.824 Base-Backbone interact. energy: -0.004 local terms energy: -18.276676 where: bonds (distance) C4'-P energy: -5.953 bonds (distance) P-C4' energy: -4.635 flat angles C4'-P-C4' energy: -4.770 flat angles P-C4'-P energy: -3.806 tors. eta vs tors. theta energy: 0.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 20 Temperature: 1.300000 Total energy: -33.658961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.658961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.658961 (E_RNA) where: Base-Base interactions energy: -10.097 where: short stacking energy: -10.097 Base-Backbone interact. energy: -0.033 local terms energy: -23.528986 where: bonds (distance) C4'-P energy: -5.510 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.376 flat angles P-C4'-P energy: -2.903 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: 10, replica: 9 ===================================== Write number: 20 Temperature: 1.350000 Total energy: -28.039332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.039332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.039332 (E_RNA) where: Base-Base interactions energy: -8.040 where: short stacking energy: -8.040 Base-Backbone interact. energy: -0.000 local terms energy: -19.998959 where: bonds (distance) C4'-P energy: -4.160 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -6.203 flat angles P-C4'-P energy: -2.079 tors. eta vs tors. theta energy: -1.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 21 Temperature: 0.900000 Total energy: -41.897413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.897413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.897413 (E_RNA) where: Base-Base interactions energy: -17.648 where: short stacking energy: -17.648 Base-Backbone interact. energy: -0.010 local terms energy: -24.239433 where: bonds (distance) C4'-P energy: -5.295 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.701 flat angles P-C4'-P energy: -3.638 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: 2, replica: 8 ===================================== Write number: 21 Temperature: 0.950000 Total energy: -36.571647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.571647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.571647 (E_RNA) where: Base-Base interactions energy: -11.895 where: short stacking energy: -11.895 Base-Backbone interact. energy: -0.000 local terms energy: -24.677059 where: bonds (distance) C4'-P energy: -5.075 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -6.540 flat angles P-C4'-P energy: -3.653 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: 3, replica: 1 ===================================== Write number: 21 Temperature: 1.000000 Total energy: -39.195042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.195042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.195042 (E_RNA) where: Base-Base interactions energy: -15.322 where: short stacking energy: -15.322 Base-Backbone interact. energy: -0.001 local terms energy: -23.872038 where: bonds (distance) C4'-P energy: -4.753 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -4.525 flat angles P-C4'-P energy: -2.676 tors. eta vs tors. theta energy: -5.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 21 Temperature: 1.050000 Total energy: -37.941043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.941043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.941043 (E_RNA) where: Base-Base interactions energy: -13.759 where: short stacking energy: -13.759 Base-Backbone interact. energy: -0.000 local terms energy: -24.181817 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -4.494 flat angles P-C4'-P energy: -3.142 tors. eta vs tors. theta energy: -3.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 21 Temperature: 1.100000 Total energy: -34.614152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.614152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.614152 (E_RNA) where: Base-Base interactions energy: -14.271 where: short stacking energy: -14.271 Base-Backbone interact. energy: -0.000 local terms energy: -20.343122 where: bonds (distance) C4'-P energy: -4.010 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -3.586 flat angles P-C4'-P energy: -2.455 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: 6, replica: 7 ===================================== Write number: 21 Temperature: 1.150000 Total energy: -32.985866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.985866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.985866 (E_RNA) where: Base-Base interactions energy: -11.270 where: short stacking energy: -12.094 Base-Backbone interact. energy: -0.064 local terms energy: -21.651711 where: bonds (distance) C4'-P energy: -6.014 bonds (distance) P-C4' energy: -6.420 flat angles C4'-P-C4' energy: -6.029 flat angles P-C4'-P energy: -2.424 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: 7, replica: 10 ===================================== Write number: 21 Temperature: 1.200000 Total energy: -29.430213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.430213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.430213 (E_RNA) where: Base-Base interactions energy: -9.070 where: short stacking energy: -9.070 Base-Backbone interact. energy: -0.014 local terms energy: -20.346210 where: bonds (distance) C4'-P energy: -5.357 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -4.120 flat angles P-C4'-P energy: -4.416 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: 8, replica: 3 ===================================== Write number: 21 Temperature: 1.250000 Total energy: -34.082125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.082125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.082125 (E_RNA) where: Base-Base interactions energy: -11.607 where: short stacking energy: -11.607 Base-Backbone interact. energy: -0.121 local terms energy: -22.354181 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -7.144 flat angles C4'-P-C4' energy: -4.919 flat angles P-C4'-P energy: -2.750 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: 21 Temperature: 1.300000 Total energy: -26.765932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.765932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.765932 (E_RNA) where: Base-Base interactions energy: -9.446 where: short stacking energy: -9.446 Base-Backbone interact. energy: 0.564 local terms energy: -17.884340 where: bonds (distance) C4'-P energy: -4.967 bonds (distance) P-C4' energy: -5.298 flat angles C4'-P-C4' energy: -3.768 flat angles P-C4'-P energy: -3.555 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: 10, replica: 9 ===================================== Write number: 21 Temperature: 1.350000 Total energy: -29.030785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.030785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.030785 (E_RNA) where: Base-Base interactions energy: -9.374 where: short stacking energy: -9.374 Base-Backbone interact. energy: -0.001 local terms energy: -19.656020 where: bonds (distance) C4'-P energy: -3.246 bonds (distance) P-C4' energy: -4.846 flat angles C4'-P-C4' energy: -5.372 flat angles P-C4'-P energy: -4.570 tors. eta vs tors. theta energy: -1.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 22 Temperature: 0.900000 Total energy: -37.511594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.511594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.511594 (E_RNA) where: Base-Base interactions energy: -16.260 where: short stacking energy: -16.260 Base-Backbone interact. energy: -0.000 local terms energy: -21.251148 where: bonds (distance) C4'-P energy: -2.227 bonds (distance) P-C4' energy: -6.358 flat angles C4'-P-C4' energy: -5.095 flat angles P-C4'-P energy: -5.182 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: 2, replica: 4 ===================================== Write number: 22 Temperature: 0.950000 Total energy: -41.804795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.804795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.804795 (E_RNA) where: Base-Base interactions energy: -14.184 where: short stacking energy: -14.184 Base-Backbone interact. energy: -0.000 local terms energy: -27.621000 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -6.202 flat angles C4'-P-C4' energy: -5.916 flat angles P-C4'-P energy: -3.412 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: 3, replica: 5 ===================================== Write number: 22 Temperature: 1.000000 Total energy: -43.342887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.342887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.342887 (E_RNA) where: Base-Base interactions energy: -18.106 where: short stacking energy: -18.106 Base-Backbone interact. energy: -0.000 local terms energy: -25.236879 where: bonds (distance) C4'-P energy: -5.013 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -6.221 flat angles P-C4'-P energy: -3.797 tors. eta vs tors. theta energy: -3.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 22 Temperature: 1.050000 Total energy: -39.225206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.225206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.225206 (E_RNA) where: Base-Base interactions energy: -14.148 where: short stacking energy: -14.148 Base-Backbone interact. energy: -0.006 local terms energy: -25.071675 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -6.382 flat angles C4'-P-C4' energy: -6.056 flat angles P-C4'-P energy: -4.148 tors. eta vs tors. theta energy: -2.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 22 Temperature: 1.100000 Total energy: -38.261203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.261203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.261203 (E_RNA) where: Base-Base interactions energy: -14.780 where: short stacking energy: -14.780 Base-Backbone interact. energy: -0.000 local terms energy: -23.481543 where: bonds (distance) C4'-P energy: -4.632 bonds (distance) P-C4' energy: -5.902 flat angles C4'-P-C4' energy: -4.119 flat angles P-C4'-P energy: -4.088 tors. eta vs tors. theta energy: -4.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 22 Temperature: 1.150000 Total energy: -34.014073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.014073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.014073 (E_RNA) where: Base-Base interactions energy: -15.412 where: short stacking energy: -15.412 Base-Backbone interact. energy: -0.001 local terms energy: -18.601669 where: bonds (distance) C4'-P energy: -3.920 bonds (distance) P-C4' energy: -6.417 flat angles C4'-P-C4' energy: -2.232 flat angles P-C4'-P energy: -3.274 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: 7, replica: 10 ===================================== Write number: 22 Temperature: 1.200000 Total energy: -32.614965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.614965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.614965 (E_RNA) where: Base-Base interactions energy: -8.802 where: short stacking energy: -8.802 Base-Backbone interact. energy: -0.193 local terms energy: -23.620544 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -5.184 flat angles P-C4'-P energy: -3.219 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: 8, replica: 3 ===================================== Write number: 22 Temperature: 1.250000 Total energy: -28.960114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.960114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.960114 (E_RNA) where: Base-Base interactions energy: -9.657 where: short stacking energy: -9.657 Base-Backbone interact. energy: -0.000 local terms energy: -19.302819 where: bonds (distance) C4'-P energy: -2.161 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -5.975 flat angles P-C4'-P energy: -4.284 tors. eta vs tors. theta energy: -1.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 22 Temperature: 1.300000 Total energy: -33.981427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.981427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.981427 (E_RNA) where: Base-Base interactions energy: -11.229 where: short stacking energy: -11.229 Base-Backbone interact. energy: -0.002 local terms energy: -22.749745 where: bonds (distance) C4'-P energy: -4.719 bonds (distance) P-C4' energy: -6.389 flat angles C4'-P-C4' energy: -4.349 flat angles P-C4'-P energy: -4.494 tors. eta vs tors. theta energy: -2.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 22 Temperature: 1.350000 Total energy: -25.073944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.073944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.073944 (E_RNA) where: Base-Base interactions energy: -4.346 where: short stacking energy: -4.847 Base-Backbone interact. energy: -0.951 local terms energy: -19.777013 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -4.910 flat angles C4'-P-C4' energy: -5.854 flat angles P-C4'-P energy: -4.054 tors. eta vs tors. theta energy: 0.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 23 Temperature: 0.900000 Total energy: -42.115055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.115055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.115055 (E_RNA) where: Base-Base interactions energy: -16.981 where: short stacking energy: -16.981 Base-Backbone interact. energy: -0.004 local terms energy: -25.129856 where: bonds (distance) C4'-P energy: -6.006 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -5.184 flat angles P-C4'-P energy: -3.787 tors. eta vs tors. theta energy: -3.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 23 Temperature: 0.950000 Total energy: -37.649446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.649446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.649446 (E_RNA) where: Base-Base interactions energy: -14.569 where: short stacking energy: -14.569 Base-Backbone interact. energy: -0.000 local terms energy: -23.080114 where: bonds (distance) C4'-P energy: -6.246 bonds (distance) P-C4' energy: -4.751 flat angles C4'-P-C4' energy: -6.041 flat angles P-C4'-P energy: -2.620 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: 3, replica: 4 ===================================== Write number: 23 Temperature: 1.000000 Total energy: -41.173065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.173065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.173065 (E_RNA) where: Base-Base interactions energy: -16.551 where: short stacking energy: -16.551 Base-Backbone interact. energy: -0.001 local terms energy: -24.621391 where: bonds (distance) C4'-P energy: -4.098 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -4.544 flat angles P-C4'-P energy: -4.499 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: 4, replica: 7 ===================================== Write number: 23 Temperature: 1.050000 Total energy: -32.453887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.453887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.453887 (E_RNA) where: Base-Base interactions energy: -12.493 where: short stacking energy: -12.493 Base-Backbone interact. energy: -0.029 local terms energy: -19.932025 where: bonds (distance) C4'-P energy: -4.623 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -4.767 flat angles P-C4'-P energy: -2.949 tors. eta vs tors. theta energy: -0.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 23 Temperature: 1.100000 Total energy: -33.265109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.265109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.265109 (E_RNA) where: Base-Base interactions energy: -10.683 where: short stacking energy: -10.683 Base-Backbone interact. energy: -0.398 local terms energy: -22.183927 where: bonds (distance) C4'-P energy: -5.775 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -5.342 flat angles P-C4'-P energy: -3.768 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: 6, replica: 10 ===================================== Write number: 23 Temperature: 1.150000 Total energy: -32.737871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.737871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.737871 (E_RNA) where: Base-Base interactions energy: -14.628 where: short stacking energy: -14.628 Base-Backbone interact. energy: -0.058 local terms energy: -18.051063 where: bonds (distance) C4'-P energy: -6.044 bonds (distance) P-C4' energy: -3.938 flat angles C4'-P-C4' energy: -4.262 flat angles P-C4'-P energy: -2.862 tors. eta vs tors. theta energy: -0.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 23 Temperature: 1.200000 Total energy: -32.553591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.553591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.553591 (E_RNA) where: Base-Base interactions energy: -12.281 where: short stacking energy: -12.281 Base-Backbone interact. energy: -0.000 local terms energy: -20.272309 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -1.697 flat angles P-C4'-P energy: -4.326 tors. eta vs tors. theta energy: -2.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 23 Temperature: 1.250000 Total energy: -32.380489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.380489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.380489 (E_RNA) where: Base-Base interactions energy: -8.476 where: short stacking energy: -8.476 Base-Backbone interact. energy: -0.010 local terms energy: -23.894900 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -5.461 flat angles P-C4'-P energy: -5.600 tors. eta vs tors. theta energy: -0.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 23 Temperature: 1.300000 Total energy: -34.383928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.383928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.383928 (E_RNA) where: Base-Base interactions energy: -8.472 where: short stacking energy: -8.472 Base-Backbone interact. energy: -0.000 local terms energy: -25.912253 where: bonds (distance) C4'-P energy: -5.075 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -5.992 flat angles P-C4'-P energy: -4.909 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: 10, replica: 2 ===================================== Write number: 23 Temperature: 1.350000 Total energy: -28.357739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.357739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.357739 (E_RNA) where: Base-Base interactions energy: -8.859 where: short stacking energy: -9.059 Base-Backbone interact. energy: -0.000 local terms energy: -19.497830 where: bonds (distance) C4'-P energy: -3.982 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -4.850 flat angles P-C4'-P energy: -3.623 tors. eta vs tors. theta energy: -0.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 24 Temperature: 0.900000 Total energy: -39.778909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.778909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.778909 (E_RNA) where: Base-Base interactions energy: -12.408 where: short stacking energy: -12.408 Base-Backbone interact. energy: -0.002 local terms energy: -27.368658 where: bonds (distance) C4'-P energy: -6.160 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -6.080 flat angles P-C4'-P energy: -4.036 tors. eta vs tors. theta energy: -4.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 24 Temperature: 0.950000 Total energy: -37.814553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.814553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.814553 (E_RNA) where: Base-Base interactions energy: -15.281 where: short stacking energy: -15.281 Base-Backbone interact. energy: -0.004 local terms energy: -22.529650 where: bonds (distance) C4'-P energy: -5.306 bonds (distance) P-C4' energy: -5.494 flat angles C4'-P-C4' energy: -5.921 flat angles P-C4'-P energy: -4.819 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: 3, replica: 4 ===================================== Write number: 24 Temperature: 1.000000 Total energy: -35.274591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.274591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.274591 (E_RNA) where: Base-Base interactions energy: -13.256 where: short stacking energy: -13.256 Base-Backbone interact. energy: -0.000 local terms energy: -22.018267 where: bonds (distance) C4'-P energy: -6.246 bonds (distance) P-C4' energy: -5.085 flat angles C4'-P-C4' energy: -5.728 flat angles P-C4'-P energy: -3.456 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: 4, replica: 7 ===================================== Write number: 24 Temperature: 1.050000 Total energy: -31.732412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.732412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.732412 (E_RNA) where: Base-Base interactions energy: -9.107 where: short stacking energy: -9.107 Base-Backbone interact. energy: -0.051 local terms energy: -22.574728 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -4.960 flat angles P-C4'-P energy: -3.205 tors. eta vs tors. theta energy: -1.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 24 Temperature: 1.100000 Total energy: -35.095314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.095314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.095314 (E_RNA) where: Base-Base interactions energy: -11.340 where: short stacking energy: -11.340 Base-Backbone interact. energy: -0.000 local terms energy: -23.754966 where: bonds (distance) C4'-P energy: -4.308 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -5.817 flat angles P-C4'-P energy: -3.448 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: 1 ===================================== Write number: 24 Temperature: 1.150000 Total energy: -35.410295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.410295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.410295 (E_RNA) where: Base-Base interactions energy: -11.941 where: short stacking energy: -11.941 Base-Backbone interact. energy: -0.064 local terms energy: -23.405194 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -5.956 flat angles C4'-P-C4' energy: -5.545 flat angles P-C4'-P energy: -4.820 tors. eta vs tors. theta energy: -1.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 24 Temperature: 1.200000 Total energy: -29.728482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.728482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.728482 (E_RNA) where: Base-Base interactions energy: -12.216 where: short stacking energy: -12.216 Base-Backbone interact. energy: -0.070 local terms energy: -17.442410 where: bonds (distance) C4'-P energy: -4.230 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -5.342 flat angles P-C4'-P energy: -2.330 tors. eta vs tors. theta energy: 1.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 24 Temperature: 1.250000 Total energy: -26.918386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.918386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.918386 (E_RNA) where: Base-Base interactions energy: -5.324 where: short stacking energy: -5.324 Base-Backbone interact. energy: -0.053 local terms energy: -21.541732 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -3.998 flat angles P-C4'-P energy: -4.169 tors. eta vs tors. theta energy: -0.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 24 Temperature: 1.300000 Total energy: -30.679871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.679871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.679871 (E_RNA) where: Base-Base interactions energy: -12.315 where: short stacking energy: -12.315 Base-Backbone interact. energy: -0.003 local terms energy: -18.361425 where: bonds (distance) C4'-P energy: -1.753 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -5.442 flat angles P-C4'-P energy: -3.090 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: 10, replica: 3 ===================================== Write number: 24 Temperature: 1.350000 Total energy: -26.774424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.774424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.774424 (E_RNA) where: Base-Base interactions energy: -8.439 where: short stacking energy: -8.439 Base-Backbone interact. energy: -0.150 local terms energy: -18.185469 where: bonds (distance) C4'-P energy: -4.967 bonds (distance) P-C4' energy: -5.886 flat angles C4'-P-C4' energy: -5.079 flat angles P-C4'-P energy: -1.730 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: 5 ===================================== Write number: 25 Temperature: 0.900000 Total energy: -40.216724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.216724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.216724 (E_RNA) where: Base-Base interactions energy: -16.890 where: short stacking energy: -16.890 Base-Backbone interact. energy: -0.042 local terms energy: -23.284573 where: bonds (distance) C4'-P energy: -5.998 bonds (distance) P-C4' energy: -4.179 flat angles C4'-P-C4' energy: -5.764 flat angles P-C4'-P energy: -4.411 tors. eta vs tors. theta energy: -2.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 25 Temperature: 0.950000 Total energy: -36.228573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.228573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.228573 (E_RNA) where: Base-Base interactions energy: -12.523 where: short stacking energy: -12.523 Base-Backbone interact. energy: -0.000 local terms energy: -23.705986 where: bonds (distance) C4'-P energy: -4.913 bonds (distance) P-C4' energy: -5.576 flat angles C4'-P-C4' energy: -5.143 flat angles P-C4'-P energy: -4.390 tors. eta vs tors. theta energy: -3.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 25 Temperature: 1.000000 Total energy: -35.247766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.247766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.247766 (E_RNA) where: Base-Base interactions energy: -12.957 where: short stacking energy: -12.957 Base-Backbone interact. energy: -0.000 local terms energy: -22.290961 where: bonds (distance) C4'-P energy: -2.997 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -4.893 flat angles P-C4'-P energy: -3.670 tors. eta vs tors. theta energy: -4.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 25 Temperature: 1.050000 Total energy: -40.618478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.618478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.618478 (E_RNA) where: Base-Base interactions energy: -14.520 where: short stacking energy: -14.520 Base-Backbone interact. energy: 0.553 local terms energy: -26.651367 where: bonds (distance) C4'-P energy: -5.393 bonds (distance) P-C4' energy: -6.460 flat angles C4'-P-C4' energy: -4.923 flat angles P-C4'-P energy: -4.717 tors. eta vs tors. theta energy: -5.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 25 Temperature: 1.100000 Total energy: -31.394755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.394755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.394755 (E_RNA) where: Base-Base interactions energy: -13.189 where: short stacking energy: -13.189 Base-Backbone interact. energy: -0.001 local terms energy: -18.204891 where: bonds (distance) C4'-P energy: -3.059 bonds (distance) P-C4' energy: -4.631 flat angles C4'-P-C4' energy: -5.194 flat angles P-C4'-P energy: -2.719 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: 6, replica: 9 ===================================== Write number: 25 Temperature: 1.150000 Total energy: -34.403721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.403721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.403721 (E_RNA) where: Base-Base interactions energy: -11.832 where: short stacking energy: -11.832 Base-Backbone interact. energy: -0.004 local terms energy: -22.568475 where: bonds (distance) C4'-P energy: -5.990 bonds (distance) P-C4' energy: -5.600 flat angles C4'-P-C4' energy: -5.829 flat angles P-C4'-P energy: -5.015 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: 1 ===================================== Write number: 25 Temperature: 1.200000 Total energy: -32.446623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.446623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.446623 (E_RNA) where: Base-Base interactions energy: -11.478 where: short stacking energy: -11.478 Base-Backbone interact. energy: -0.101 local terms energy: -20.867427 where: bonds (distance) C4'-P energy: -5.368 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -5.361 flat angles P-C4'-P energy: -2.719 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: 8, replica: 2 ===================================== Write number: 25 Temperature: 1.250000 Total energy: -33.128547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.128547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.128547 (E_RNA) where: Base-Base interactions energy: -9.996 where: short stacking energy: -9.996 Base-Backbone interact. energy: -0.001 local terms energy: -23.132231 where: bonds (distance) C4'-P energy: -6.453 bonds (distance) P-C4' energy: -4.818 flat angles C4'-P-C4' energy: -5.688 flat angles P-C4'-P energy: -3.439 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: 9, replica: 6 ===================================== Write number: 25 Temperature: 1.300000 Total energy: -27.672906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.672906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.672906 (E_RNA) where: Base-Base interactions energy: -9.110 where: short stacking energy: -9.110 Base-Backbone interact. energy: -0.096 local terms energy: -18.467499 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -5.833 flat angles C4'-P-C4' energy: -3.322 flat angles P-C4'-P energy: -2.250 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: 3 ===================================== Write number: 25 Temperature: 1.350000 Total energy: -33.651405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.651405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.651405 (E_RNA) where: Base-Base interactions energy: -11.424 where: short stacking energy: -11.424 Base-Backbone interact. energy: -0.000 local terms energy: -22.227452 where: bonds (distance) C4'-P energy: -1.958 bonds (distance) P-C4' energy: -6.156 flat angles C4'-P-C4' energy: -4.408 flat angles P-C4'-P energy: -4.901 tors. eta vs tors. theta energy: -4.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 26 Temperature: 0.900000 Total energy: -40.485983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.485983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.485983 (E_RNA) where: Base-Base interactions energy: -15.482 where: short stacking energy: -15.482 Base-Backbone interact. energy: -0.000 local terms energy: -25.004011 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -5.339 flat angles C4'-P-C4' energy: -5.373 flat angles P-C4'-P energy: -4.601 tors. eta vs tors. theta energy: -3.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 26 Temperature: 0.950000 Total energy: -38.751318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.751318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.751318 (E_RNA) where: Base-Base interactions energy: -12.407 where: short stacking energy: -12.407 Base-Backbone interact. energy: -0.001 local terms energy: -26.343306 where: bonds (distance) C4'-P energy: -6.577 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.848 flat angles P-C4'-P energy: -3.689 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: 3, replica: 10 ===================================== Write number: 26 Temperature: 1.000000 Total energy: -34.801842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.801842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.801842 (E_RNA) where: Base-Base interactions energy: -12.918 where: short stacking energy: -12.918 Base-Backbone interact. energy: -0.002 local terms energy: -21.881864 where: bonds (distance) C4'-P energy: -5.456 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -6.100 flat angles P-C4'-P energy: -3.862 tors. eta vs tors. theta energy: -0.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 26 Temperature: 1.050000 Total energy: -36.664177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.664177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.664177 (E_RNA) where: Base-Base interactions energy: -14.474 where: short stacking energy: -14.474 Base-Backbone interact. energy: -0.004 local terms energy: -22.186989 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -4.428 flat angles C4'-P-C4' energy: -4.898 flat angles P-C4'-P energy: -3.037 tors. eta vs tors. theta energy: -4.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 26 Temperature: 1.100000 Total energy: -31.850798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.850798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.850798 (E_RNA) where: Base-Base interactions energy: -13.626 where: short stacking energy: -13.626 Base-Backbone interact. energy: -0.005 local terms energy: -18.220395 where: bonds (distance) C4'-P energy: -3.944 bonds (distance) P-C4' energy: -4.448 flat angles C4'-P-C4' energy: -5.733 flat angles P-C4'-P energy: -4.154 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: 6, replica: 7 ===================================== Write number: 26 Temperature: 1.150000 Total energy: -34.199935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.199935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.199935 (E_RNA) where: Base-Base interactions energy: -13.077 where: short stacking energy: -13.077 Base-Backbone interact. energy: -0.077 local terms energy: -21.046552 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -5.330 flat angles C4'-P-C4' energy: -2.875 flat angles P-C4'-P energy: -4.337 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: 2 ===================================== Write number: 26 Temperature: 1.200000 Total energy: -32.663767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.663767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.663767 (E_RNA) where: Base-Base interactions energy: -14.852 where: short stacking energy: -14.852 Base-Backbone interact. energy: -0.010 local terms energy: -17.801608 where: bonds (distance) C4'-P energy: -4.859 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -2.244 flat angles P-C4'-P energy: -3.188 tors. eta vs tors. theta energy: -0.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 26 Temperature: 1.250000 Total energy: -31.318661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.318661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.318661 (E_RNA) where: Base-Base interactions energy: -8.689 where: short stacking energy: -8.689 Base-Backbone interact. energy: -0.002 local terms energy: -22.627325 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -4.507 flat angles C4'-P-C4' energy: -5.247 flat angles P-C4'-P energy: -3.698 tors. eta vs tors. theta energy: -3.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 26 Temperature: 1.300000 Total energy: -31.696475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.696475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.696475 (E_RNA) where: Base-Base interactions energy: -9.845 where: short stacking energy: -9.845 Base-Backbone interact. energy: -0.003 local terms energy: -21.848505 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -5.770 flat angles C4'-P-C4' energy: -5.582 flat angles P-C4'-P energy: -3.816 tors. eta vs tors. theta energy: -0.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 26 Temperature: 1.350000 Total energy: -31.684282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.684282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.684282 (E_RNA) where: Base-Base interactions energy: -11.778 where: short stacking energy: -11.778 Base-Backbone interact. energy: -0.075 local terms energy: -19.831327 where: bonds (distance) C4'-P energy: -4.603 bonds (distance) P-C4' energy: -5.361 flat angles C4'-P-C4' energy: -4.448 flat angles P-C4'-P energy: -4.282 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: 4 ===================================== Write number: 27 Temperature: 0.900000 Total energy: -41.377247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.377247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.377247 (E_RNA) where: Base-Base interactions energy: -16.067 where: short stacking energy: -16.067 Base-Backbone interact. energy: -0.002 local terms energy: -25.308205 where: bonds (distance) C4'-P energy: -4.280 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -5.677 flat angles P-C4'-P energy: -3.715 tors. eta vs tors. theta energy: -4.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 27 Temperature: 0.950000 Total energy: -39.556352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.556352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.556352 (E_RNA) where: Base-Base interactions energy: -14.466 where: short stacking energy: -14.466 Base-Backbone interact. energy: -0.000 local terms energy: -25.090344 where: bonds (distance) C4'-P energy: -3.875 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.798 flat angles P-C4'-P energy: -3.650 tors. eta vs tors. theta energy: -5.124 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: 3, replica: 5 ===================================== Write number: 27 Temperature: 1.000000 Total energy: -36.428846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.428846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.428846 (E_RNA) where: Base-Base interactions energy: -12.463 where: short stacking energy: -12.463 Base-Backbone interact. energy: -0.002 local terms energy: -23.963425 where: bonds (distance) C4'-P energy: -5.998 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -5.708 flat angles P-C4'-P energy: -4.276 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: 4, replica: 9 ===================================== Write number: 27 Temperature: 1.050000 Total energy: -32.551640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.551640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.551640 (E_RNA) where: Base-Base interactions energy: -10.988 where: short stacking energy: -10.988 Base-Backbone interact. energy: -0.003 local terms energy: -21.560832 where: bonds (distance) C4'-P energy: -3.407 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -5.737 flat angles P-C4'-P energy: -3.722 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: 5, replica: 8 ===================================== Write number: 27 Temperature: 1.100000 Total energy: -30.583336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.583336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.583336 (E_RNA) where: Base-Base interactions energy: -8.786 where: short stacking energy: -8.786 Base-Backbone interact. energy: -0.007 local terms energy: -21.790990 where: bonds (distance) C4'-P energy: -4.877 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -6.330 flat angles P-C4'-P energy: -3.758 tors. eta vs tors. theta energy: -1.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 27 Temperature: 1.150000 Total energy: -35.114112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.114112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.114112 (E_RNA) where: Base-Base interactions energy: -10.878 where: short stacking energy: -10.878 Base-Backbone interact. energy: -0.012 local terms energy: -24.224629 where: bonds (distance) C4'-P energy: -4.897 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -5.468 flat angles P-C4'-P energy: -3.373 tors. eta vs tors. theta energy: -3.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 27 Temperature: 1.200000 Total energy: -34.378240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.378240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.378240 (E_RNA) where: Base-Base interactions energy: -13.290 where: short stacking energy: -13.290 Base-Backbone interact. energy: -0.013 local terms energy: -21.075740 where: bonds (distance) C4'-P energy: -4.673 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -3.695 flat angles P-C4'-P energy: -3.674 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: 8, replica: 3 ===================================== Write number: 27 Temperature: 1.250000 Total energy: -32.391853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.391853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.391853 (E_RNA) where: Base-Base interactions energy: -7.889 where: short stacking energy: -7.889 Base-Backbone interact. energy: -0.020 local terms energy: -24.482884 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -5.955 flat angles P-C4'-P energy: -5.467 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: 1 ===================================== Write number: 27 Temperature: 1.300000 Total energy: -29.588708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.588708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.588708 (E_RNA) where: Base-Base interactions energy: -11.135 where: short stacking energy: -11.135 Base-Backbone interact. energy: -0.000 local terms energy: -18.453917 where: bonds (distance) C4'-P energy: -3.693 bonds (distance) P-C4' energy: -5.597 flat angles C4'-P-C4' energy: -6.509 flat angles P-C4'-P energy: -3.160 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: 6 ===================================== Write number: 27 Temperature: 1.350000 Total energy: -27.559846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.559846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.559846 (E_RNA) where: Base-Base interactions energy: -2.883 where: short stacking energy: -2.883 Base-Backbone interact. energy: -0.003 local terms energy: -24.674397 where: bonds (distance) C4'-P energy: -6.105 bonds (distance) P-C4' energy: -6.389 flat angles C4'-P-C4' energy: -5.794 flat angles P-C4'-P energy: -3.565 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: 1, replica: 10 ===================================== Write number: 28 Temperature: 0.900000 Total energy: -44.043609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.043609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.043609 (E_RNA) where: Base-Base interactions energy: -17.593 where: short stacking energy: -17.593 Base-Backbone interact. energy: -0.022 local terms energy: -26.428936 where: bonds (distance) C4'-P energy: -5.233 bonds (distance) P-C4' energy: -5.966 flat angles C4'-P-C4' energy: -5.667 flat angles P-C4'-P energy: -4.976 tors. eta vs tors. theta energy: -4.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 28 Temperature: 0.950000 Total energy: -35.827063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.827063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.827063 (E_RNA) where: Base-Base interactions energy: -16.408 where: short stacking energy: -16.408 Base-Backbone interact. energy: -0.000 local terms energy: -19.418708 where: bonds (distance) C4'-P energy: -5.589 bonds (distance) P-C4' energy: -5.146 flat angles C4'-P-C4' energy: -5.929 flat angles P-C4'-P energy: -3.827 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: 3, replica: 9 ===================================== Write number: 28 Temperature: 1.000000 Total energy: -40.129140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.129140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.129140 (E_RNA) where: Base-Base interactions energy: -13.302 where: short stacking energy: -13.302 Base-Backbone interact. energy: -0.000 local terms energy: -26.826937 where: bonds (distance) C4'-P energy: -5.163 bonds (distance) P-C4' energy: -4.394 flat angles C4'-P-C4' energy: -4.718 flat angles P-C4'-P energy: -5.604 tors. eta vs tors. theta energy: -6.948 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: 4, replica: 5 ===================================== Write number: 28 Temperature: 1.050000 Total energy: -34.979851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.979851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.979851 (E_RNA) where: Base-Base interactions energy: -13.675 where: short stacking energy: -13.675 Base-Backbone interact. energy: -0.028 local terms energy: -21.277217 where: bonds (distance) C4'-P energy: -3.352 bonds (distance) P-C4' energy: -7.144 flat angles C4'-P-C4' energy: -5.067 flat angles P-C4'-P energy: -4.218 tors. eta vs tors. theta energy: -1.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 28 Temperature: 1.100000 Total energy: -36.800902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.800902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.800902 (E_RNA) where: Base-Base interactions energy: -14.410 where: short stacking energy: -14.410 Base-Backbone interact. energy: -0.000 local terms energy: -22.390598 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -4.367 flat angles C4'-P-C4' energy: -5.902 flat angles P-C4'-P energy: -4.564 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: 6, replica: 8 ===================================== Write number: 28 Temperature: 1.150000 Total energy: -32.012564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.012564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.012564 (E_RNA) where: Base-Base interactions energy: -8.986 where: short stacking energy: -8.986 Base-Backbone interact. energy: -0.000 local terms energy: -23.026984 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -6.118 flat angles C4'-P-C4' energy: -1.773 flat angles P-C4'-P energy: -4.793 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: 7, replica: 3 ===================================== Write number: 28 Temperature: 1.200000 Total energy: -36.635868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.635868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.635868 (E_RNA) where: Base-Base interactions energy: -14.323 where: short stacking energy: -14.323 Base-Backbone interact. energy: -0.000 local terms energy: -22.313290 where: bonds (distance) C4'-P energy: -4.789 bonds (distance) P-C4' energy: -6.615 flat angles C4'-P-C4' energy: -5.834 flat angles P-C4'-P energy: -2.260 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: 8, replica: 7 ===================================== Write number: 28 Temperature: 1.250000 Total energy: -31.453978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.453978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.453978 (E_RNA) where: Base-Base interactions energy: -12.880 where: short stacking energy: -12.880 Base-Backbone interact. energy: -0.000 local terms energy: -18.573790 where: bonds (distance) C4'-P energy: -3.051 bonds (distance) P-C4' energy: -5.339 flat angles C4'-P-C4' energy: -4.112 flat angles P-C4'-P energy: -3.948 tors. eta vs tors. theta energy: -2.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 28 Temperature: 1.300000 Total energy: -31.585231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.585231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.585231 (E_RNA) where: Base-Base interactions energy: -9.505 where: short stacking energy: -9.505 Base-Backbone interact. energy: -0.025 local terms energy: -22.055346 where: bonds (distance) C4'-P energy: -5.600 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -6.151 flat angles P-C4'-P energy: -4.531 tors. eta vs tors. theta energy: 0.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 28 Temperature: 1.350000 Total energy: -29.036646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.036646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.036646 (E_RNA) where: Base-Base interactions energy: -8.984 where: short stacking energy: -4.360 Base-Backbone interact. energy: 0.930 local terms energy: -20.981777 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -5.631 flat angles C4'-P-C4' energy: -1.349 flat angles P-C4'-P energy: -5.068 tors. eta vs tors. theta energy: -2.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 29 Temperature: 0.900000 Total energy: -39.929248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.929248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.929248 (E_RNA) where: Base-Base interactions energy: -12.829 where: short stacking energy: -13.064 Base-Backbone interact. energy: -0.000 local terms energy: -27.100172 where: bonds (distance) C4'-P energy: -5.580 bonds (distance) P-C4' energy: -6.622 flat angles C4'-P-C4' energy: -5.438 flat angles P-C4'-P energy: -5.043 tors. eta vs tors. theta energy: -4.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 29 Temperature: 0.950000 Total energy: -44.654406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.654406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.654406 (E_RNA) where: Base-Base interactions energy: -17.567 where: short stacking energy: -17.567 Base-Backbone interact. energy: -0.000 local terms energy: -27.087875 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -5.780 flat angles P-C4'-P energy: -3.499 tors. eta vs tors. theta energy: -5.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 29 Temperature: 1.000000 Total energy: -37.888019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.888019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.888019 (E_RNA) where: Base-Base interactions energy: -15.915 where: short stacking energy: -15.915 Base-Backbone interact. energy: -0.004 local terms energy: -21.969356 where: bonds (distance) C4'-P energy: -3.419 bonds (distance) P-C4' energy: -5.723 flat angles C4'-P-C4' energy: -5.495 flat angles P-C4'-P energy: -5.337 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: 4, replica: 2 ===================================== Write number: 29 Temperature: 1.050000 Total energy: -35.755826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.755826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.755826 (E_RNA) where: Base-Base interactions energy: -12.335 where: short stacking energy: -12.335 Base-Backbone interact. energy: -0.034 local terms energy: -23.386100 where: bonds (distance) C4'-P energy: -4.380 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -4.542 flat angles P-C4'-P energy: -4.282 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: 5 ===================================== Write number: 29 Temperature: 1.100000 Total energy: -34.110733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.110733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.110733 (E_RNA) where: Base-Base interactions energy: -11.776 where: short stacking energy: -11.776 Base-Backbone interact. energy: -0.005 local terms energy: -22.329789 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -6.229 flat angles P-C4'-P energy: -2.221 tors. eta vs tors. theta energy: -1.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 29 Temperature: 1.150000 Total energy: -33.549124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.549124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.549124 (E_RNA) where: Base-Base interactions energy: -11.266 where: short stacking energy: -11.266 Base-Backbone interact. energy: -0.000 local terms energy: -22.283170 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -5.537 flat angles C4'-P-C4' energy: -6.557 flat angles P-C4'-P energy: -4.111 tors. eta vs tors. theta energy: 0.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 29 Temperature: 1.200000 Total energy: -30.121123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.121123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.121123 (E_RNA) where: Base-Base interactions energy: -10.716 where: short stacking energy: -10.716 Base-Backbone interact. energy: -0.010 local terms energy: -19.394867 where: bonds (distance) C4'-P energy: -4.090 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -3.337 flat angles P-C4'-P energy: -3.087 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: 8, replica: 6 ===================================== Write number: 29 Temperature: 1.250000 Total energy: -32.119263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.119263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.119263 (E_RNA) where: Base-Base interactions energy: -7.818 where: short stacking energy: -7.818 Base-Backbone interact. energy: 0.431 local terms energy: -24.732381 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -5.935 flat angles C4'-P-C4' energy: -6.502 flat angles P-C4'-P energy: -2.999 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: 9, replica: 7 ===================================== Write number: 29 Temperature: 1.300000 Total energy: -35.769986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.769986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.769986 (E_RNA) where: Base-Base interactions energy: -13.963 where: short stacking energy: -13.963 Base-Backbone interact. energy: -0.058 local terms energy: -21.749398 where: bonds (distance) C4'-P energy: -4.268 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -5.535 flat angles P-C4'-P energy: -4.494 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: 1 ===================================== Write number: 29 Temperature: 1.350000 Total energy: -34.113557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.113557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.113557 (E_RNA) where: Base-Base interactions energy: -12.807 where: short stacking energy: -12.807 Base-Backbone interact. energy: -0.003 local terms energy: -21.303638 where: bonds (distance) C4'-P energy: -5.580 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -4.694 flat angles P-C4'-P energy: -2.379 tors. eta vs tors. theta energy: -2.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 30 Temperature: 0.900000 Total energy: -39.165800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.165800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.165800 (E_RNA) where: Base-Base interactions energy: -15.798 where: short stacking energy: -15.798 Base-Backbone interact. energy: -0.083 local terms energy: -23.285345 where: bonds (distance) C4'-P energy: -4.392 bonds (distance) P-C4' energy: -6.873 flat angles C4'-P-C4' energy: -5.325 flat angles P-C4'-P energy: -4.340 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: 2, replica: 9 ===================================== Write number: 30 Temperature: 0.950000 Total energy: -41.452409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.452409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.452409 (E_RNA) where: Base-Base interactions energy: -15.537 where: short stacking energy: -15.537 Base-Backbone interact. energy: -0.038 local terms energy: -25.877134 where: bonds (distance) C4'-P energy: -5.750 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -6.117 flat angles P-C4'-P energy: -4.233 tors. eta vs tors. theta energy: -2.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 30 Temperature: 1.000000 Total energy: -34.943317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.943317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.943317 (E_RNA) where: Base-Base interactions energy: -13.777 where: short stacking energy: -13.777 Base-Backbone interact. energy: -0.049 local terms energy: -21.117951 where: bonds (distance) C4'-P energy: -5.287 bonds (distance) P-C4' energy: -5.723 flat angles C4'-P-C4' energy: -4.143 flat angles P-C4'-P energy: -5.035 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: 4, replica: 4 ===================================== Write number: 30 Temperature: 1.050000 Total energy: -41.606609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.606609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.606609 (E_RNA) where: Base-Base interactions energy: -14.554 where: short stacking energy: -14.554 Base-Backbone interact. energy: -0.000 local terms energy: -27.052163 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -6.622 flat angles C4'-P-C4' energy: -5.837 flat angles P-C4'-P energy: -4.701 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: 5, replica: 3 ===================================== Write number: 30 Temperature: 1.100000 Total energy: -33.011103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.011103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.011103 (E_RNA) where: Base-Base interactions energy: -8.707 where: short stacking energy: -8.707 Base-Backbone interact. energy: -0.000 local terms energy: -24.303969 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -6.184 flat angles C4'-P-C4' energy: -4.870 flat angles P-C4'-P energy: -4.565 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: 6, replica: 5 ===================================== Write number: 30 Temperature: 1.150000 Total energy: -33.093252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.093252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.093252 (E_RNA) where: Base-Base interactions energy: -10.010 where: short stacking energy: -10.010 Base-Backbone interact. energy: -0.033 local terms energy: -23.050324 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -5.597 flat angles C4'-P-C4' energy: -5.829 flat angles P-C4'-P energy: -3.047 tors. eta vs tors. theta energy: -3.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 30 Temperature: 1.200000 Total energy: -28.235437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.235437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.235437 (E_RNA) where: Base-Base interactions energy: -6.477 where: short stacking energy: -6.477 Base-Backbone interact. energy: -0.025 local terms energy: -21.733947 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -7.130 flat angles C4'-P-C4' energy: -4.865 flat angles P-C4'-P energy: -1.851 tors. eta vs tors. theta energy: -1.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 30 Temperature: 1.250000 Total energy: -31.648932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.648932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.648932 (E_RNA) where: Base-Base interactions energy: -12.624 where: short stacking energy: -12.624 Base-Backbone interact. energy: -0.001 local terms energy: -19.024519 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -6.156 flat angles C4'-P-C4' energy: -4.175 flat angles P-C4'-P energy: -1.303 tors. eta vs tors. theta energy: -1.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 30 Temperature: 1.300000 Total energy: -33.680597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.680597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.680597 (E_RNA) where: Base-Base interactions energy: -10.817 where: short stacking energy: -10.817 Base-Backbone interact. energy: -0.000 local terms energy: -22.863360 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -4.027 flat angles P-C4'-P energy: -1.575 tors. eta vs tors. theta energy: -4.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 30 Temperature: 1.350000 Total energy: -33.834443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.834443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.834443 (E_RNA) where: Base-Base interactions energy: -11.340 where: short stacking energy: -11.340 Base-Backbone interact. energy: -0.000 local terms energy: -22.494717 where: bonds (distance) C4'-P energy: -5.257 bonds (distance) P-C4' energy: -5.506 flat angles C4'-P-C4' energy: -6.270 flat angles P-C4'-P energy: -4.148 tors. eta vs tors. theta energy: -1.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 31 Temperature: 0.900000 Total energy: -39.014740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.014740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.014740 (E_RNA) where: Base-Base interactions energy: -13.591 where: short stacking energy: -13.591 Base-Backbone interact. energy: -0.000 local terms energy: -25.423643 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -5.941 flat angles C4'-P-C4' energy: -5.483 flat angles P-C4'-P energy: -3.788 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: 2, replica: 9 ===================================== Write number: 31 Temperature: 0.950000 Total energy: -41.609306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.609306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.609306 (E_RNA) where: Base-Base interactions energy: -14.214 where: short stacking energy: -14.214 Base-Backbone interact. energy: -0.000 local terms energy: -27.395284 where: bonds (distance) C4'-P energy: -5.456 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -5.454 flat angles P-C4'-P energy: -4.028 tors. eta vs tors. theta energy: -5.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 31 Temperature: 1.000000 Total energy: -33.017201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.017201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.017201 (E_RNA) where: Base-Base interactions energy: -8.422 where: short stacking energy: -8.422 Base-Backbone interact. energy: -0.093 local terms energy: -24.502249 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -6.011 flat angles P-C4'-P energy: -4.370 tors. eta vs tors. theta energy: -0.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 31 Temperature: 1.050000 Total energy: -37.844207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.844207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.844207 (E_RNA) where: Base-Base interactions energy: -13.819 where: short stacking energy: -13.819 Base-Backbone interact. energy: -0.049 local terms energy: -23.975260 where: bonds (distance) C4'-P energy: -4.682 bonds (distance) P-C4' energy: -5.966 flat angles C4'-P-C4' energy: -6.260 flat angles P-C4'-P energy: -3.543 tors. eta vs tors. theta energy: -3.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 31 Temperature: 1.100000 Total energy: -33.353876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.353876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.353876 (E_RNA) where: Base-Base interactions energy: -10.788 where: short stacking energy: -10.788 Base-Backbone interact. energy: -0.003 local terms energy: -22.563258 where: bonds (distance) C4'-P energy: -5.419 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -5.533 flat angles P-C4'-P energy: -2.948 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: 6, replica: 6 ===================================== Write number: 31 Temperature: 1.150000 Total energy: -32.817740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.817740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.817740 (E_RNA) where: Base-Base interactions energy: -8.297 where: short stacking energy: -8.297 Base-Backbone interact. energy: 0.137 local terms energy: -24.657373 where: bonds (distance) C4'-P energy: -5.750 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -5.512 flat angles P-C4'-P energy: -4.529 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: 7, replica: 5 ===================================== Write number: 31 Temperature: 1.200000 Total energy: -32.165808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.165808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.165808 (E_RNA) where: Base-Base interactions energy: -10.930 where: short stacking energy: -10.930 Base-Backbone interact. energy: -0.000 local terms energy: -21.235382 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -5.942 flat angles C4'-P-C4' energy: -2.403 flat angles P-C4'-P energy: -3.043 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: 8, replica: 7 ===================================== Write number: 31 Temperature: 1.250000 Total energy: -31.278617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.278617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.278617 (E_RNA) where: Base-Base interactions energy: -9.775 where: short stacking energy: -9.775 Base-Backbone interact. energy: -0.047 local terms energy: -21.456713 where: bonds (distance) C4'-P energy: -6.354 bonds (distance) P-C4' energy: -3.033 flat angles C4'-P-C4' energy: -6.202 flat angles P-C4'-P energy: -3.787 tors. eta vs tors. theta energy: -2.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 31 Temperature: 1.300000 Total energy: -30.863560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.863560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.863560 (E_RNA) where: Base-Base interactions energy: -6.887 where: short stacking energy: -6.887 Base-Backbone interact. energy: -0.006 local terms energy: -23.970274 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -6.216 flat angles P-C4'-P energy: -3.803 tors. eta vs tors. theta energy: -1.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 31 Temperature: 1.350000 Total energy: -27.078680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.078680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.078680 (E_RNA) where: Base-Base interactions energy: -11.731 where: short stacking energy: -11.731 Base-Backbone interact. energy: -0.000 local terms energy: -15.347673 where: bonds (distance) C4'-P energy: -4.810 bonds (distance) P-C4' energy: -5.146 flat angles C4'-P-C4' energy: -4.319 flat angles P-C4'-P energy: -3.217 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: 1, replica: 9 ===================================== Write number: 32 Temperature: 0.900000 Total energy: -44.644168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.644168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.644168 (E_RNA) where: Base-Base interactions energy: -17.808 where: short stacking energy: -17.808 Base-Backbone interact. energy: -0.000 local terms energy: -26.836619 where: bonds (distance) C4'-P energy: -3.514 bonds (distance) P-C4' energy: -6.653 flat angles C4'-P-C4' energy: -6.278 flat angles P-C4'-P energy: -4.737 tors. eta vs tors. theta energy: -5.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 32 Temperature: 0.950000 Total energy: -38.398465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.398465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.398465 (E_RNA) where: Base-Base interactions energy: -17.445 where: short stacking energy: -17.445 Base-Backbone interact. energy: -0.001 local terms energy: -20.952397 where: bonds (distance) C4'-P energy: -4.231 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -4.997 flat angles P-C4'-P energy: -2.572 tors. eta vs tors. theta energy: -2.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 32 Temperature: 1.000000 Total energy: -38.225961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.225961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.225961 (E_RNA) where: Base-Base interactions energy: -12.463 where: short stacking energy: -12.463 Base-Backbone interact. energy: -0.001 local terms energy: -25.762099 where: bonds (distance) C4'-P energy: -6.462 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -5.162 flat angles P-C4'-P energy: -4.282 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: 2 ===================================== Write number: 32 Temperature: 1.050000 Total energy: -32.244373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.244373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.244373 (E_RNA) where: Base-Base interactions energy: -12.341 where: short stacking energy: -12.341 Base-Backbone interact. energy: -0.001 local terms energy: -19.902492 where: bonds (distance) C4'-P energy: -1.378 bonds (distance) P-C4' energy: -6.457 flat angles C4'-P-C4' energy: -6.098 flat angles P-C4'-P energy: -2.736 tors. eta vs tors. theta energy: -3.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 32 Temperature: 1.100000 Total energy: -38.257301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.257301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.257301 (E_RNA) where: Base-Base interactions energy: -12.837 where: short stacking energy: -12.837 Base-Backbone interact. energy: -0.013 local terms energy: -25.407246 where: bonds (distance) C4'-P energy: -4.835 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -6.597 flat angles P-C4'-P energy: -4.762 tors. eta vs tors. theta energy: -2.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 32 Temperature: 1.150000 Total energy: -38.534021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.534021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.534021 (E_RNA) where: Base-Base interactions energy: -14.419 where: short stacking energy: -14.419 Base-Backbone interact. energy: 0.470 local terms energy: -24.585116 where: bonds (distance) C4'-P energy: -4.673 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -5.953 flat angles P-C4'-P energy: -3.470 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: 7, replica: 7 ===================================== Write number: 32 Temperature: 1.200000 Total energy: -33.192038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.192038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.192038 (E_RNA) where: Base-Base interactions energy: -13.424 where: short stacking energy: -13.424 Base-Backbone interact. energy: -0.076 local terms energy: -19.692146 where: bonds (distance) C4'-P energy: -3.895 bonds (distance) P-C4' energy: -4.650 flat angles C4'-P-C4' energy: -5.521 flat angles P-C4'-P energy: -3.007 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: 8, replica: 5 ===================================== Write number: 32 Temperature: 1.250000 Total energy: -31.795163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.795163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.795163 (E_RNA) where: Base-Base interactions energy: -9.745 where: short stacking energy: -9.745 Base-Backbone interact. energy: -0.058 local terms energy: -21.991961 where: bonds (distance) C4'-P energy: -4.735 bonds (distance) P-C4' energy: -5.572 flat angles C4'-P-C4' energy: -6.424 flat angles P-C4'-P energy: -4.877 tors. eta vs tors. theta energy: -0.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 32 Temperature: 1.300000 Total energy: -31.034725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.034725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.034725 (E_RNA) where: Base-Base interactions energy: -10.499 where: short stacking energy: -10.499 Base-Backbone interact. energy: -0.029 local terms energy: -20.506917 where: bonds (distance) C4'-P energy: -2.872 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.665 flat angles P-C4'-P energy: -4.004 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: 1 ===================================== Write number: 32 Temperature: 1.350000 Total energy: -28.038374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.038374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.038374 (E_RNA) where: Base-Base interactions energy: -5.665 where: short stacking energy: -5.665 Base-Backbone interact. energy: -0.129 local terms energy: -22.243941 where: bonds (distance) C4'-P energy: -4.268 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -4.934 flat angles P-C4'-P energy: -5.252 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: 1, replica: 9 ===================================== Write number: 33 Temperature: 0.900000 Total energy: -43.194742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.194742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.194742 (E_RNA) where: Base-Base interactions energy: -15.048 where: short stacking energy: -15.048 Base-Backbone interact. energy: -0.000 local terms energy: -28.146708 where: bonds (distance) C4'-P energy: -5.481 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.207 flat angles P-C4'-P energy: -4.926 tors. eta vs tors. theta energy: -5.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 33 Temperature: 0.950000 Total energy: -44.051182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.051182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.051182 (E_RNA) where: Base-Base interactions energy: -16.417 where: short stacking energy: -16.417 Base-Backbone interact. energy: -0.000 local terms energy: -27.634364 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -4.420 flat angles C4'-P-C4' energy: -4.673 flat angles P-C4'-P energy: -5.586 tors. eta vs tors. theta energy: -7.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 33 Temperature: 1.000000 Total energy: -35.293802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.293802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.293802 (E_RNA) where: Base-Base interactions energy: -13.881 where: short stacking energy: -13.881 Base-Backbone interact. energy: -0.000 local terms energy: -21.412298 where: bonds (distance) C4'-P energy: -5.688 bonds (distance) P-C4' energy: -7.144 flat angles C4'-P-C4' energy: -3.694 flat angles P-C4'-P energy: -3.978 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: 4, replica: 6 ===================================== Write number: 33 Temperature: 1.050000 Total energy: -34.180309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.180309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.180309 (E_RNA) where: Base-Base interactions energy: -13.419 where: short stacking energy: -13.419 Base-Backbone interact. energy: -0.006 local terms energy: -20.755417 where: bonds (distance) C4'-P energy: -5.729 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -4.156 flat angles P-C4'-P energy: -1.046 tors. eta vs tors. theta energy: -3.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 33 Temperature: 1.100000 Total energy: -40.990167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.990167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.990167 (E_RNA) where: Base-Base interactions energy: -14.262 where: short stacking energy: -14.262 Base-Backbone interact. energy: -0.000 local terms energy: -26.728007 where: bonds (distance) C4'-P energy: -4.735 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -6.041 flat angles P-C4'-P energy: -4.978 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: 6, replica: 7 ===================================== Write number: 33 Temperature: 1.150000 Total energy: -35.876677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.876677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.876677 (E_RNA) where: Base-Base interactions energy: -13.093 where: short stacking energy: -13.093 Base-Backbone interact. energy: -1.186 local terms energy: -21.597314 where: bonds (distance) C4'-P energy: -4.975 bonds (distance) P-C4' energy: -4.854 flat angles C4'-P-C4' energy: -6.075 flat angles P-C4'-P energy: -4.357 tors. eta vs tors. theta energy: -1.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 33 Temperature: 1.200000 Total energy: -36.720782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.720782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.720782 (E_RNA) where: Base-Base interactions energy: -13.443 where: short stacking energy: -13.443 Base-Backbone interact. energy: -0.003 local terms energy: -23.274842 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.547 flat angles P-C4'-P energy: -4.095 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: 8, replica: 8 ===================================== Write number: 33 Temperature: 1.250000 Total energy: -30.954514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.954514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.954514 (E_RNA) where: Base-Base interactions energy: -8.094 where: short stacking energy: -8.094 Base-Backbone interact. energy: -0.365 local terms energy: -22.496009 where: bonds (distance) C4'-P energy: -4.872 bonds (distance) P-C4' energy: -6.457 flat angles C4'-P-C4' energy: -5.673 flat angles P-C4'-P energy: -2.544 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: 9, replica: 5 ===================================== Write number: 33 Temperature: 1.300000 Total energy: -29.710239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.710239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.710239 (E_RNA) where: Base-Base interactions energy: -12.215 where: short stacking energy: -12.215 Base-Backbone interact. energy: -0.053 local terms energy: -17.442540 where: bonds (distance) C4'-P energy: -3.378 bonds (distance) P-C4' energy: -4.854 flat angles C4'-P-C4' energy: -4.947 flat angles P-C4'-P energy: -1.282 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: 1 ===================================== Write number: 33 Temperature: 1.350000 Total energy: -29.639353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.639353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.639353 (E_RNA) where: Base-Base interactions energy: -8.763 where: short stacking energy: -8.763 Base-Backbone interact. energy: -0.000 local terms energy: -20.875821 where: bonds (distance) C4'-P energy: -6.014 bonds (distance) P-C4' energy: -5.089 flat angles C4'-P-C4' energy: -6.217 flat angles P-C4'-P energy: -4.005 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: 1, replica: 10 ===================================== Write number: 34 Temperature: 0.900000 Total energy: -43.082231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.082231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.082231 (E_RNA) where: Base-Base interactions energy: -15.986 where: short stacking energy: -15.986 Base-Backbone interact. energy: -0.000 local terms energy: -27.096099 where: bonds (distance) C4'-P energy: -5.047 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.255 flat angles P-C4'-P energy: -5.144 tors. eta vs tors. theta energy: -4.749 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: 9 ===================================== Write number: 34 Temperature: 0.950000 Total energy: -43.122791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.122791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.122791 (E_RNA) where: Base-Base interactions energy: -15.795 where: short stacking energy: -15.795 Base-Backbone interact. energy: -0.002 local terms energy: -27.326045 where: bonds (distance) C4'-P energy: -5.277 bonds (distance) P-C4' energy: -6.622 flat angles C4'-P-C4' energy: -5.469 flat angles P-C4'-P energy: -4.925 tors. eta vs tors. theta energy: -5.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 34 Temperature: 1.000000 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: -15.722 where: short stacking energy: -15.722 Base-Backbone interact. energy: -0.000 local terms energy: -23.283975 where: bonds (distance) C4'-P energy: -5.252 bonds (distance) P-C4' energy: -4.659 flat angles C4'-P-C4' energy: -5.472 flat angles P-C4'-P energy: -4.000 tors. eta vs tors. theta energy: -3.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 34 Temperature: 1.050000 Total energy: -34.284181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.284181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.284181 (E_RNA) where: Base-Base interactions energy: -13.907 where: short stacking energy: -13.907 Base-Backbone interact. energy: -0.001 local terms energy: -20.376450 where: bonds (distance) C4'-P energy: -3.397 bonds (distance) P-C4' energy: -7.144 flat angles C4'-P-C4' energy: -4.575 flat angles P-C4'-P energy: -1.912 tors. eta vs tors. theta energy: -3.348 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: 7 ===================================== Write number: 34 Temperature: 1.100000 Total energy: -32.059711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.059711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.059711 (E_RNA) where: Base-Base interactions energy: -11.807 where: short stacking energy: -11.807 Base-Backbone interact. energy: -0.026 local terms energy: -20.227179 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -5.273 flat angles C4'-P-C4' energy: -5.048 flat angles P-C4'-P energy: -2.305 tors. eta vs tors. theta energy: -2.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 34 Temperature: 1.150000 Total energy: -39.766010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.766010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.766010 (E_RNA) where: Base-Base interactions energy: -18.271 where: short stacking energy: -18.271 Base-Backbone interact. energy: -0.002 local terms energy: -21.493108 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -5.054 flat angles C4'-P-C4' energy: -5.784 flat angles P-C4'-P energy: -5.098 tors. eta vs tors. theta energy: 0.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 34 Temperature: 1.200000 Total energy: -33.823041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.823041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.823041 (E_RNA) where: Base-Base interactions energy: -16.252 where: short stacking energy: -16.252 Base-Backbone interact. energy: -0.000 local terms energy: -17.571349 where: bonds (distance) C4'-P energy: -4.913 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -1.119 flat angles P-C4'-P energy: -2.063 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: 8, replica: 4 ===================================== Write number: 34 Temperature: 1.250000 Total energy: -30.162926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.162926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.162926 (E_RNA) where: Base-Base interactions energy: -10.290 where: short stacking energy: -10.290 Base-Backbone interact. energy: -0.900 local terms energy: -18.973438 where: bonds (distance) C4'-P energy: -4.231 bonds (distance) P-C4' energy: -5.371 flat angles C4'-P-C4' energy: -3.968 flat angles P-C4'-P energy: -2.869 tors. eta vs tors. theta energy: -2.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 34 Temperature: 1.300000 Total energy: -31.427849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.427849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.427849 (E_RNA) where: Base-Base interactions energy: -7.396 where: short stacking energy: -7.396 Base-Backbone interact. energy: -0.001 local terms energy: -24.030995 where: bonds (distance) C4'-P energy: -4.496 bonds (distance) P-C4' energy: -6.174 flat angles C4'-P-C4' energy: -3.939 flat angles P-C4'-P energy: -5.629 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: 10, replica: 5 ===================================== Write number: 34 Temperature: 1.350000 Total energy: -25.344662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.344662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.344662 (E_RNA) where: Base-Base interactions energy: -7.151 where: short stacking energy: -7.151 Base-Backbone interact. energy: -0.003 local terms energy: -18.190658 where: bonds (distance) C4'-P energy: -3.137 bonds (distance) P-C4' energy: -5.572 flat angles C4'-P-C4' energy: -6.367 flat angles P-C4'-P energy: -3.545 tors. eta vs tors. theta energy: 0.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 35 Temperature: 0.900000 Total energy: -43.286761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.286761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.286761 (E_RNA) where: Base-Base interactions energy: -15.396 where: short stacking energy: -15.396 Base-Backbone interact. energy: -0.043 local terms energy: -27.848308 where: bonds (distance) C4'-P energy: -4.781 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -6.451 flat angles P-C4'-P energy: -5.519 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: 2, replica: 9 ===================================== Write number: 35 Temperature: 0.950000 Total energy: -40.740815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.740815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.740815 (E_RNA) where: Base-Base interactions energy: -17.554 where: short stacking energy: -17.554 Base-Backbone interact. energy: -0.002 local terms energy: -23.184970 where: bonds (distance) C4'-P energy: -3.646 bonds (distance) P-C4' energy: -5.837 flat angles C4'-P-C4' energy: -5.018 flat angles P-C4'-P energy: -3.843 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: 6 ===================================== Write number: 35 Temperature: 1.000000 Total energy: -39.971976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.971976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.971976 (E_RNA) where: Base-Base interactions energy: -14.641 where: short stacking energy: -14.641 Base-Backbone interact. energy: -0.004 local terms energy: -25.326469 where: bonds (distance) C4'-P energy: -3.233 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -5.624 flat angles P-C4'-P energy: -3.592 tors. eta vs tors. theta energy: -6.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 35 Temperature: 1.050000 Total energy: -36.171875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.171875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.171875 (E_RNA) where: Base-Base interactions energy: -13.346 where: short stacking energy: -13.346 Base-Backbone interact. energy: -0.121 local terms energy: -22.704650 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -4.849 flat angles C4'-P-C4' energy: -4.601 flat angles P-C4'-P energy: -4.921 tors. eta vs tors. theta energy: -2.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 35 Temperature: 1.100000 Total energy: -36.298716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.298716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.298716 (E_RNA) where: Base-Base interactions energy: -10.981 where: short stacking energy: -10.981 Base-Backbone interact. energy: -0.000 local terms energy: -25.317679 where: bonds (distance) C4'-P energy: -4.682 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -6.112 flat angles P-C4'-P energy: -4.333 tors. eta vs tors. theta energy: -3.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 35 Temperature: 1.150000 Total energy: -35.950734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.950734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.950734 (E_RNA) where: Base-Base interactions energy: -13.221 where: short stacking energy: -13.221 Base-Backbone interact. energy: -0.013 local terms energy: -22.717288 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -5.506 flat angles C4'-P-C4' energy: -5.871 flat angles P-C4'-P energy: -2.815 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: 7, replica: 2 ===================================== Write number: 35 Temperature: 1.200000 Total energy: -33.970474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.970474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.970474 (E_RNA) where: Base-Base interactions energy: -14.280 where: short stacking energy: -14.280 Base-Backbone interact. energy: -0.000 local terms energy: -19.690382 where: bonds (distance) C4'-P energy: -1.958 bonds (distance) P-C4' energy: -5.942 flat angles C4'-P-C4' energy: -5.682 flat angles P-C4'-P energy: -3.760 tors. eta vs tors. theta energy: -2.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 35 Temperature: 1.250000 Total energy: -33.376116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.376116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.376116 (E_RNA) where: Base-Base interactions energy: -11.720 where: short stacking energy: -11.720 Base-Backbone interact. energy: -0.072 local terms energy: -21.583252 where: bonds (distance) C4'-P energy: -5.982 bonds (distance) P-C4' energy: -5.600 flat angles C4'-P-C4' energy: -4.832 flat angles P-C4'-P energy: -2.521 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: 9, replica: 4 ===================================== Write number: 35 Temperature: 1.300000 Total energy: -33.797845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.797845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.797845 (E_RNA) where: Base-Base interactions energy: -8.866 where: short stacking energy: -8.866 Base-Backbone interact. energy: -0.001 local terms energy: -24.930856 where: bonds (distance) C4'-P energy: -5.589 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -5.960 flat angles P-C4'-P energy: -3.880 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: 10, replica: 5 ===================================== Write number: 35 Temperature: 1.350000 Total energy: -26.950488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.950488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.950488 (E_RNA) where: Base-Base interactions energy: -9.907 where: short stacking energy: -9.907 Base-Backbone interact. energy: -0.004 local terms energy: -17.039359 where: bonds (distance) C4'-P energy: -5.435 bonds (distance) P-C4' energy: -4.297 flat angles C4'-P-C4' energy: -4.857 flat angles P-C4'-P energy: -1.986 tors. eta vs tors. theta energy: -0.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 36 Temperature: 0.900000 Total energy: -40.798516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.798516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.798516 (E_RNA) where: Base-Base interactions energy: -16.800 where: short stacking energy: -16.800 Base-Backbone interact. energy: -0.015 local terms energy: -23.983545 where: bonds (distance) C4'-P energy: -4.553 bonds (distance) P-C4' energy: -4.914 flat angles C4'-P-C4' energy: -4.987 flat angles P-C4'-P energy: -5.337 tors. eta vs tors. theta energy: -4.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 36 Temperature: 0.950000 Total energy: -36.702760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.702760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.702760 (E_RNA) where: Base-Base interactions energy: -11.404 where: short stacking energy: -11.404 Base-Backbone interact. energy: -0.049 local terms energy: -25.249290 where: bonds (distance) C4'-P energy: -5.580 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -6.417 flat angles P-C4'-P energy: -4.054 tors. eta vs tors. theta energy: -2.294 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: 7 ===================================== Write number: 36 Temperature: 1.000000 Total energy: -35.892044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.892044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.892044 (E_RNA) where: Base-Base interactions energy: -13.285 where: short stacking energy: -13.285 Base-Backbone interact. energy: -0.273 local terms energy: -22.333516 where: bonds (distance) C4'-P energy: -5.179 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -6.026 flat angles P-C4'-P energy: -2.968 tors. eta vs tors. theta energy: -1.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 36 Temperature: 1.050000 Total energy: -34.162662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.162662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.162662 (E_RNA) where: Base-Base interactions energy: -11.469 where: short stacking energy: -11.469 Base-Backbone interact. energy: -0.000 local terms energy: -22.693122 where: bonds (distance) C4'-P energy: -5.269 bonds (distance) P-C4' energy: -6.382 flat angles C4'-P-C4' energy: -3.283 flat angles P-C4'-P energy: -3.721 tors. eta vs tors. theta energy: -4.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 36 Temperature: 1.100000 Total energy: -34.356793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.356793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.356793 (E_RNA) where: Base-Base interactions energy: -12.767 where: short stacking energy: -12.767 Base-Backbone interact. energy: -0.000 local terms energy: -21.590133 where: bonds (distance) C4'-P energy: -5.456 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -3.338 flat angles P-C4'-P energy: -4.146 tors. eta vs tors. theta energy: -1.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 36 Temperature: 1.150000 Total energy: -34.188259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.188259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.188259 (E_RNA) where: Base-Base interactions energy: -9.887 where: short stacking energy: -9.887 Base-Backbone interact. energy: -0.030 local terms energy: -24.271372 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -5.432 flat angles P-C4'-P energy: -3.579 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: 1 ===================================== Write number: 36 Temperature: 1.200000 Total energy: -27.991459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.991459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.991459 (E_RNA) where: Base-Base interactions energy: -7.573 where: short stacking energy: -7.573 Base-Backbone interact. energy: -0.110 local terms energy: -20.308560 where: bonds (distance) C4'-P energy: -5.295 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -6.745 flat angles P-C4'-P energy: -2.136 tors. eta vs tors. theta energy: 0.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 36 Temperature: 1.250000 Total energy: -32.215317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.215317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.215317 (E_RNA) where: Base-Base interactions energy: -13.245 where: short stacking energy: -13.245 Base-Backbone interact. energy: -0.002 local terms energy: -18.968574 where: bonds (distance) C4'-P energy: -2.996 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -4.214 flat angles P-C4'-P energy: -3.458 tors. eta vs tors. theta energy: -1.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 36 Temperature: 1.300000 Total energy: -27.081429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.081429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.081429 (E_RNA) where: Base-Base interactions energy: -9.068 where: short stacking energy: -9.068 Base-Backbone interact. energy: -0.109 local terms energy: -17.904573 where: bonds (distance) C4'-P energy: -4.823 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -4.891 flat angles P-C4'-P energy: -2.714 tors. eta vs tors. theta energy: 1.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 36 Temperature: 1.350000 Total energy: -29.294007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.294007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.294007 (E_RNA) where: Base-Base interactions energy: -11.732 where: short stacking energy: -11.732 Base-Backbone interact. energy: -0.025 local terms energy: -17.537391 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -1.916 flat angles P-C4'-P energy: -3.605 tors. eta vs tors. theta energy: -0.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 37 Temperature: 0.900000 Total energy: -43.958354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.958354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.958354 (E_RNA) where: Base-Base interactions energy: -16.953 where: short stacking energy: -16.598 Base-Backbone interact. energy: -1.309 local terms energy: -25.696759 where: bonds (distance) C4'-P energy: -4.214 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -6.146 flat angles P-C4'-P energy: -2.961 tors. eta vs tors. theta energy: -5.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 37 Temperature: 0.950000 Total energy: -41.321286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.321286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.321286 (E_RNA) where: Base-Base interactions energy: -15.105 where: short stacking energy: -15.105 Base-Backbone interact. energy: -0.000 local terms energy: -26.216233 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -4.938 flat angles P-C4'-P energy: -5.077 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: 10 ===================================== Write number: 37 Temperature: 1.000000 Total energy: -32.237050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.237050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.237050 (E_RNA) where: Base-Base interactions energy: -11.577 where: short stacking energy: -11.577 Base-Backbone interact. energy: -0.022 local terms energy: -20.637245 where: bonds (distance) C4'-P energy: -5.518 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -4.519 flat angles P-C4'-P energy: -1.169 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: 4, replica: 8 ===================================== Write number: 37 Temperature: 1.050000 Total energy: -38.816824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.816824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.816824 (E_RNA) where: Base-Base interactions energy: -12.043 where: short stacking energy: -12.043 Base-Backbone interact. energy: -0.000 local terms energy: -26.773557 where: bonds (distance) C4'-P energy: -6.176 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -5.986 flat angles P-C4'-P energy: -2.650 tors. eta vs tors. theta energy: -5.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 37 Temperature: 1.100000 Total energy: -32.522282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.522282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.522282 (E_RNA) where: Base-Base interactions energy: -8.128 where: short stacking energy: -8.128 Base-Backbone interact. energy: -0.000 local terms energy: -24.394065 where: bonds (distance) C4'-P energy: -3.269 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -4.136 flat angles P-C4'-P energy: -5.277 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: 6, replica: 3 ===================================== Write number: 37 Temperature: 1.150000 Total energy: -37.994304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.994304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.994304 (E_RNA) where: Base-Base interactions energy: -15.592 where: short stacking energy: -13.241 Base-Backbone interact. energy: -0.017 local terms energy: -22.385812 where: bonds (distance) C4'-P energy: -4.238 bonds (distance) P-C4' energy: -5.966 flat angles C4'-P-C4' energy: -4.853 flat angles P-C4'-P energy: -2.639 tors. eta vs tors. theta energy: -4.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 37 Temperature: 1.200000 Total energy: -31.154923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.154923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.154923 (E_RNA) where: Base-Base interactions energy: -9.555 where: short stacking energy: -9.555 Base-Backbone interact. energy: -0.050 local terms energy: -21.549491 where: bonds (distance) C4'-P energy: -5.368 bonds (distance) P-C4' energy: -7.130 flat angles C4'-P-C4' energy: -2.619 flat angles P-C4'-P energy: -4.955 tors. eta vs tors. theta energy: -1.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 37 Temperature: 1.250000 Total energy: -33.271147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.271147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.271147 (E_RNA) where: Base-Base interactions energy: -9.791 where: short stacking energy: -9.791 Base-Backbone interact. energy: -0.468 local terms energy: -23.012359 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -5.710 flat angles P-C4'-P energy: -3.033 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: 9, replica: 5 ===================================== Write number: 37 Temperature: 1.300000 Total energy: -31.905770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.905770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.905770 (E_RNA) where: Base-Base interactions energy: -11.266 where: short stacking energy: -11.266 Base-Backbone interact. energy: -0.086 local terms energy: -20.553642 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -4.131 flat angles C4'-P-C4' energy: -5.418 flat angles P-C4'-P energy: -3.878 tors. eta vs tors. theta energy: -1.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 37 Temperature: 1.350000 Total energy: -26.519295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.519295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.519295 (E_RNA) where: Base-Base interactions energy: -5.649 where: short stacking energy: -5.649 Base-Backbone interact. energy: -0.001 local terms energy: -20.868866 where: bonds (distance) C4'-P energy: -5.091 bonds (distance) P-C4' energy: -5.305 flat angles C4'-P-C4' energy: -6.072 flat angles P-C4'-P energy: -3.959 tors. eta vs tors. theta energy: -0.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 38 Temperature: 0.900000 Total energy: -38.037764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.037764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.037764 (E_RNA) where: Base-Base interactions energy: -16.144 where: short stacking energy: -16.144 Base-Backbone interact. energy: -0.000 local terms energy: -21.893975 where: bonds (distance) C4'-P energy: -5.766 bonds (distance) P-C4' energy: -5.730 flat angles C4'-P-C4' energy: -2.862 flat angles P-C4'-P energy: -3.897 tors. eta vs tors. theta energy: -3.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 38 Temperature: 0.950000 Total energy: -41.281718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.281718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.281718 (E_RNA) where: Base-Base interactions energy: -17.991 where: short stacking energy: -17.991 Base-Backbone interact. energy: -0.000 local terms energy: -23.290740 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -6.457 flat angles C4'-P-C4' energy: -4.060 flat angles P-C4'-P energy: -4.141 tors. eta vs tors. theta energy: -3.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 38 Temperature: 1.000000 Total energy: -38.334661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.334661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.334661 (E_RNA) where: Base-Base interactions energy: -15.252 where: short stacking energy: -15.252 Base-Backbone interact. energy: -0.000 local terms energy: -23.082277 where: bonds (distance) C4'-P energy: -4.040 bonds (distance) P-C4' energy: -4.821 flat angles C4'-P-C4' energy: -5.513 flat angles P-C4'-P energy: -4.121 tors. eta vs tors. theta energy: -4.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 38 Temperature: 1.050000 Total energy: -37.389362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.389362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.389362 (E_RNA) where: Base-Base interactions energy: -11.976 where: short stacking energy: -11.976 Base-Backbone interact. energy: -0.001 local terms energy: -25.412761 where: bonds (distance) C4'-P energy: -5.651 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -5.724 flat angles P-C4'-P energy: -4.600 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: 3 ===================================== Write number: 38 Temperature: 1.100000 Total energy: -35.733270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.733270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.733270 (E_RNA) where: Base-Base interactions energy: -14.964 where: short stacking energy: -14.964 Base-Backbone interact. energy: -0.005 local terms energy: -20.764124 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.177 flat angles C4'-P-C4' energy: -5.264 flat angles P-C4'-P energy: -1.622 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: 6, replica: 6 ===================================== Write number: 38 Temperature: 1.150000 Total energy: -34.350224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.350224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.350224 (E_RNA) where: Base-Base interactions energy: -13.393 where: short stacking energy: -13.393 Base-Backbone interact. energy: -0.002 local terms energy: -20.955327 where: bonds (distance) C4'-P energy: -4.082 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -3.385 flat angles P-C4'-P energy: -3.948 tors. eta vs tors. theta energy: -2.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 38 Temperature: 1.200000 Total energy: -33.904600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.904600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.904600 (E_RNA) where: Base-Base interactions energy: -13.593 where: short stacking energy: -13.593 Base-Backbone interact. energy: -0.001 local terms energy: -20.310447 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -6.417 flat angles C4'-P-C4' energy: -5.461 flat angles P-C4'-P energy: -3.073 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: 8, replica: 1 ===================================== Write number: 38 Temperature: 1.250000 Total energy: -33.998908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.998908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.998908 (E_RNA) where: Base-Base interactions energy: -11.070 where: short stacking energy: -11.070 Base-Backbone interact. energy: -0.000 local terms energy: -22.928807 where: bonds (distance) C4'-P energy: -2.839 bonds (distance) P-C4' energy: -5.445 flat angles C4'-P-C4' energy: -6.185 flat angles P-C4'-P energy: -2.940 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: 9, replica: 4 ===================================== Write number: 38 Temperature: 1.300000 Total energy: -34.010662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.010662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.010662 (E_RNA) where: Base-Base interactions energy: -12.616 where: short stacking energy: -12.616 Base-Backbone interact. energy: -0.025 local terms energy: -21.369575 where: bonds (distance) C4'-P energy: -3.274 bonds (distance) P-C4' energy: -5.150 flat angles C4'-P-C4' energy: -5.565 flat angles P-C4'-P energy: -4.935 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: 10, replica: 5 ===================================== Write number: 38 Temperature: 1.350000 Total energy: -27.835053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.835053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.835053 (E_RNA) where: Base-Base interactions energy: -8.102 where: short stacking energy: -8.102 Base-Backbone interact. energy: -0.038 local terms energy: -19.694873 where: bonds (distance) C4'-P energy: -3.316 bonds (distance) P-C4' energy: -6.227 flat angles C4'-P-C4' energy: -4.606 flat angles P-C4'-P energy: -1.844 tors. eta vs tors. theta energy: -3.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 39 Temperature: 0.900000 Total energy: -39.977721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.977721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.977721 (E_RNA) where: Base-Base interactions energy: -13.622 where: short stacking energy: -14.522 Base-Backbone interact. energy: -0.000 local terms energy: -26.355724 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.029 flat angles P-C4'-P energy: -3.087 tors. eta vs tors. theta energy: -5.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 39 Temperature: 0.950000 Total energy: -39.604994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.604994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.604994 (E_RNA) where: Base-Base interactions energy: -13.148 where: short stacking energy: -13.148 Base-Backbone interact. energy: -0.067 local terms energy: -26.389240 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -5.702 flat angles C4'-P-C4' energy: -6.534 flat angles P-C4'-P energy: -5.010 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: 3, replica: 9 ===================================== Write number: 39 Temperature: 1.000000 Total energy: -36.702387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.702387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.702387 (E_RNA) where: Base-Base interactions energy: -9.119 where: short stacking energy: -9.119 Base-Backbone interact. energy: -0.153 local terms energy: -27.430562 where: bonds (distance) C4'-P energy: -6.105 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.936 flat angles P-C4'-P energy: -4.877 tors. eta vs tors. theta energy: -3.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 39 Temperature: 1.050000 Total energy: -33.997638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.997638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.997638 (E_RNA) where: Base-Base interactions energy: -9.113 where: short stacking energy: -9.113 Base-Backbone interact. energy: -0.001 local terms energy: -24.883773 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.199 flat angles C4'-P-C4' energy: -6.100 flat angles P-C4'-P energy: -4.368 tors. eta vs tors. theta energy: -2.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 39 Temperature: 1.100000 Total energy: -32.756416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.756416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.756416 (E_RNA) where: Base-Base interactions energy: -10.764 where: short stacking energy: -10.764 Base-Backbone interact. energy: -0.000 local terms energy: -21.991705 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.460 flat angles C4'-P-C4' energy: -4.640 flat angles P-C4'-P energy: -4.050 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: 6, replica: 2 ===================================== Write number: 39 Temperature: 1.150000 Total energy: -36.358210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.358210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.358210 (E_RNA) where: Base-Base interactions energy: -12.642 where: short stacking energy: -12.642 Base-Backbone interact. energy: -0.003 local terms energy: -23.713316 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -5.594 flat angles C4'-P-C4' energy: -5.886 flat angles P-C4'-P energy: -4.405 tors. eta vs tors. theta energy: -1.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 39 Temperature: 1.200000 Total energy: -30.718942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.718942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.718942 (E_RNA) where: Base-Base interactions energy: -9.533 where: short stacking energy: -9.533 Base-Backbone interact. energy: 0.084 local terms energy: -21.270458 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -6.365 flat angles C4'-P-C4' energy: -3.557 flat angles P-C4'-P energy: -4.439 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: 4 ===================================== Write number: 39 Temperature: 1.250000 Total energy: -31.822120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.822120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.822120 (E_RNA) where: Base-Base interactions energy: -10.058 where: short stacking energy: -10.058 Base-Backbone interact. energy: -0.085 local terms energy: -21.679112 where: bonds (distance) C4'-P energy: -5.047 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -4.353 flat angles P-C4'-P energy: -1.897 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: 9, replica: 1 ===================================== Write number: 39 Temperature: 1.300000 Total energy: -28.481514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.481514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.481514 (E_RNA) where: Base-Base interactions energy: -6.820 where: short stacking energy: -6.820 Base-Backbone interact. energy: -0.286 local terms energy: -21.375953 where: bonds (distance) C4'-P energy: -5.100 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -5.279 flat angles P-C4'-P energy: -4.099 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: 10, replica: 5 ===================================== Write number: 39 Temperature: 1.350000 Total energy: -31.686397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.686397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.686397 (E_RNA) where: Base-Base interactions energy: -10.189 where: short stacking energy: -10.189 Base-Backbone interact. energy: -0.000 local terms energy: -21.497393 where: bonds (distance) C4'-P energy: -4.694 bonds (distance) P-C4' energy: -5.956 flat angles C4'-P-C4' energy: -4.246 flat angles P-C4'-P energy: -4.834 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: 1, replica: 8 ===================================== Write number: 40 Temperature: 0.900000 Total energy: -37.559495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.559495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.559495 (E_RNA) where: Base-Base interactions energy: -13.373 where: short stacking energy: -13.373 Base-Backbone interact. energy: -0.001 local terms energy: -24.185850 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -7.144 flat angles C4'-P-C4' energy: -6.431 flat angles P-C4'-P energy: -3.194 tors. eta vs tors. theta energy: -1.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 40 Temperature: 0.950000 Total energy: -40.369366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.369366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.369366 (E_RNA) where: Base-Base interactions energy: -13.453 where: short stacking energy: -13.453 Base-Backbone interact. energy: -0.000 local terms energy: -26.915993 where: bonds (distance) C4'-P energy: -5.278 bonds (distance) P-C4' energy: -6.407 flat angles C4'-P-C4' energy: -5.427 flat angles P-C4'-P energy: -5.103 tors. eta vs tors. theta energy: -4.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 40 Temperature: 1.000000 Total energy: -39.832718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.832718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.832718 (E_RNA) where: Base-Base interactions energy: -16.771 where: short stacking energy: -16.771 Base-Backbone interact. energy: -0.000 local terms energy: -23.061862 where: bonds (distance) C4'-P energy: -4.764 bonds (distance) P-C4' energy: -5.469 flat angles C4'-P-C4' energy: -5.369 flat angles P-C4'-P energy: -3.592 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: 4, replica: 9 ===================================== Write number: 40 Temperature: 1.050000 Total energy: -37.158264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.158264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.158264 (E_RNA) where: Base-Base interactions energy: -13.018 where: short stacking energy: -13.018 Base-Backbone interact. energy: -0.100 local terms energy: -24.040016 where: bonds (distance) C4'-P energy: -5.117 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.710 flat angles P-C4'-P energy: -3.134 tors. eta vs tors. theta energy: -3.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 40 Temperature: 1.100000 Total energy: -32.399138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.399138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.399138 (E_RNA) where: Base-Base interactions energy: -12.125 where: short stacking energy: -12.125 Base-Backbone interact. energy: -0.152 local terms energy: -20.122025 where: bonds (distance) C4'-P energy: -4.851 bonds (distance) P-C4' energy: -6.389 flat angles C4'-P-C4' energy: -4.643 flat angles P-C4'-P energy: -2.037 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: 6, replica: 10 ===================================== Write number: 40 Temperature: 1.150000 Total energy: -36.843548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.843548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.843548 (E_RNA) where: Base-Base interactions energy: -11.673 where: short stacking energy: -11.673 Base-Backbone interact. energy: -0.000 local terms energy: -25.170436 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -5.597 flat angles C4'-P-C4' energy: -4.939 flat angles P-C4'-P energy: -4.424 tors. eta vs tors. theta energy: -4.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 40 Temperature: 1.200000 Total energy: -34.403665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.403665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.403665 (E_RNA) where: Base-Base interactions energy: -11.579 where: short stacking energy: -11.579 Base-Backbone interact. energy: -0.001 local terms energy: -22.824571 where: bonds (distance) C4'-P energy: -3.936 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -5.521 flat angles P-C4'-P energy: -2.457 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: 8, replica: 6 ===================================== Write number: 40 Temperature: 1.250000 Total energy: -31.801333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.801333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.801333 (E_RNA) where: Base-Base interactions energy: -9.115 where: short stacking energy: -9.115 Base-Backbone interact. energy: -0.099 local terms energy: -22.587111 where: bonds (distance) C4'-P energy: -4.288 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -6.181 flat angles P-C4'-P energy: -4.397 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: 9, replica: 1 ===================================== Write number: 40 Temperature: 1.300000 Total energy: -32.969759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.969759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.969759 (E_RNA) where: Base-Base interactions energy: -11.828 where: short stacking energy: -11.828 Base-Backbone interact. energy: -0.100 local terms energy: -21.040878 where: bonds (distance) C4'-P energy: -4.983 bonds (distance) P-C4' energy: -4.656 flat angles C4'-P-C4' energy: -5.788 flat angles P-C4'-P energy: -2.759 tors. eta vs tors. theta energy: -2.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 40 Temperature: 1.350000 Total energy: -28.648807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.648807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.648807 (E_RNA) where: Base-Base interactions energy: -8.943 where: short stacking energy: -8.943 Base-Backbone interact. energy: -0.093 local terms energy: -19.612757 where: bonds (distance) C4'-P energy: -3.759 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -4.762 flat angles P-C4'-P energy: -4.583 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: 8 ===================================== Write number: 41 Temperature: 0.900000 Total energy: -38.342539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.342539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.342539 (E_RNA) where: Base-Base interactions energy: -11.843 where: short stacking energy: -11.843 Base-Backbone interact. energy: -0.001 local terms energy: -26.498247 where: bonds (distance) C4'-P energy: -5.306 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -6.051 flat angles P-C4'-P energy: -4.112 tors. eta vs tors. theta energy: -3.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 41 Temperature: 0.950000 Total energy: -38.629482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.629482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.629482 (E_RNA) where: Base-Base interactions energy: -14.421 where: short stacking energy: -14.421 Base-Backbone interact. energy: -0.000 local terms energy: -24.208653 where: bonds (distance) C4'-P energy: -6.006 bonds (distance) P-C4' energy: -6.203 flat angles C4'-P-C4' energy: -5.163 flat angles P-C4'-P energy: -5.373 tors. eta vs tors. theta energy: -1.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 41 Temperature: 1.000000 Total energy: -40.253485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.253485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.253485 (E_RNA) where: Base-Base interactions energy: -16.466 where: short stacking energy: -16.466 Base-Backbone interact. energy: -0.138 local terms energy: -23.649537 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -5.935 flat angles C4'-P-C4' energy: -5.940 flat angles P-C4'-P energy: -2.396 tors. eta vs tors. theta energy: -3.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 41 Temperature: 1.050000 Total energy: -32.339231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.339231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.339231 (E_RNA) where: Base-Base interactions energy: -10.861 where: short stacking energy: -10.861 Base-Backbone interact. energy: -0.068 local terms energy: -21.409562 where: bonds (distance) C4'-P energy: -2.252 bonds (distance) P-C4' energy: -4.423 flat angles C4'-P-C4' energy: -5.181 flat angles P-C4'-P energy: -4.495 tors. eta vs tors. theta energy: -5.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 41 Temperature: 1.100000 Total energy: -36.802945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.802945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.802945 (E_RNA) where: Base-Base interactions energy: -11.497 where: short stacking energy: -11.497 Base-Backbone interact. energy: -0.000 local terms energy: -25.305596 where: bonds (distance) C4'-P energy: -5.199 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -5.687 flat angles P-C4'-P energy: -4.185 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: 6, replica: 4 ===================================== Write number: 41 Temperature: 1.150000 Total energy: -35.225225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.225225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.225225 (E_RNA) where: Base-Base interactions energy: -11.327 where: short stacking energy: -11.327 Base-Backbone interact. energy: -0.000 local terms energy: -23.898306 where: bonds (distance) C4'-P energy: -5.882 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -5.038 flat angles P-C4'-P energy: -5.305 tors. eta vs tors. theta energy: -1.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 41 Temperature: 1.200000 Total energy: -31.000541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.000541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.000541 (E_RNA) where: Base-Base interactions energy: -9.459 where: short stacking energy: -9.459 Base-Backbone interact. energy: -0.004 local terms energy: -21.537978 where: bonds (distance) C4'-P energy: -5.171 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -6.682 flat angles P-C4'-P energy: -2.160 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: 6 ===================================== Write number: 41 Temperature: 1.250000 Total energy: -34.171697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.171697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.171697 (E_RNA) where: Base-Base interactions energy: -12.182 where: short stacking energy: -12.182 Base-Backbone interact. energy: -0.020 local terms energy: -21.969587 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -5.483 flat angles P-C4'-P energy: -2.719 tors. eta vs tors. theta energy: -0.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 41 Temperature: 1.300000 Total energy: -32.252733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.252733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.252733 (E_RNA) where: Base-Base interactions energy: -9.679 where: short stacking energy: -9.679 Base-Backbone interact. energy: -0.002 local terms energy: -22.571709 where: bonds (distance) C4'-P energy: -5.837 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.262 flat angles P-C4'-P energy: -1.997 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: 10, replica: 5 ===================================== Write number: 41 Temperature: 1.350000 Total energy: -33.215428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.215428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.215428 (E_RNA) where: Base-Base interactions energy: -9.434 where: short stacking energy: -9.434 Base-Backbone interact. energy: -0.028 local terms energy: -23.753743 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -4.266 flat angles P-C4'-P energy: -5.374 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: 8 ===================================== Write number: 42 Temperature: 0.900000 Total energy: -38.534374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.534374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.534374 (E_RNA) where: Base-Base interactions energy: -12.769 where: short stacking energy: -12.769 Base-Backbone interact. energy: -0.000 local terms energy: -25.765405 where: bonds (distance) C4'-P energy: -5.626 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.335 flat angles P-C4'-P energy: -3.378 tors. eta vs tors. theta energy: -4.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 42 Temperature: 0.950000 Total energy: -38.625028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.625028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.625028 (E_RNA) where: Base-Base interactions energy: -14.566 where: short stacking energy: -14.566 Base-Backbone interact. energy: -0.012 local terms energy: -24.047043 where: bonds (distance) C4'-P energy: -4.587 bonds (distance) P-C4' energy: -4.420 flat angles C4'-P-C4' energy: -6.553 flat angles P-C4'-P energy: -5.366 tors. eta vs tors. theta energy: -3.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 42 Temperature: 1.000000 Total energy: -45.412124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.412124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.412124 (E_RNA) where: Base-Base interactions energy: -18.346 where: short stacking energy: -17.470 Base-Backbone interact. energy: -1.147 local terms energy: -25.918654 where: bonds (distance) C4'-P energy: -5.953 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -6.395 flat angles P-C4'-P energy: -4.368 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: 4, replica: 7 ===================================== Write number: 42 Temperature: 1.050000 Total energy: -35.047452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.047452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.047452 (E_RNA) where: Base-Base interactions energy: -12.052 where: short stacking energy: -12.052 Base-Backbone interact. energy: 0.663 local terms energy: -23.658540 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -5.192 flat angles P-C4'-P energy: -3.748 tors. eta vs tors. theta energy: -1.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 42 Temperature: 1.100000 Total energy: -42.527405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.527405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.527405 (E_RNA) where: Base-Base interactions energy: -17.320 where: short stacking energy: -17.320 Base-Backbone interact. energy: -0.000 local terms energy: -25.207526 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -4.914 flat angles C4'-P-C4' energy: -5.501 flat angles P-C4'-P energy: -2.940 tors. eta vs tors. theta energy: -6.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 42 Temperature: 1.150000 Total energy: -31.312463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.312463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.312463 (E_RNA) where: Base-Base interactions energy: -9.958 where: short stacking energy: -9.958 Base-Backbone interact. energy: -0.019 local terms energy: -21.334867 where: bonds (distance) C4'-P energy: -4.755 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -4.062 flat angles P-C4'-P energy: -3.253 tors. eta vs tors. theta energy: -3.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 42 Temperature: 1.200000 Total energy: -28.011096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.011096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.011096 (E_RNA) where: Base-Base interactions energy: -12.349 where: short stacking energy: -12.349 Base-Backbone interact. energy: -0.005 local terms energy: -15.657447 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -6.153 flat angles C4'-P-C4' energy: -3.246 flat angles P-C4'-P energy: 2.025 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: 10 ===================================== Write number: 42 Temperature: 1.250000 Total energy: -29.849464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.849464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.849464 (E_RNA) where: Base-Base interactions energy: -8.915 where: short stacking energy: -8.915 Base-Backbone interact. energy: -0.132 local terms energy: -20.802631 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -2.338 flat angles P-C4'-P energy: -2.673 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: 9, replica: 5 ===================================== Write number: 42 Temperature: 1.300000 Total energy: -27.956537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.956537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.956537 (E_RNA) where: Base-Base interactions energy: -8.601 where: short stacking energy: -8.601 Base-Backbone interact. energy: -0.035 local terms energy: -19.320824 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -6.447 flat angles C4'-P-C4' energy: -5.414 flat angles P-C4'-P energy: -2.875 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: 10, replica: 1 ===================================== Write number: 42 Temperature: 1.350000 Total energy: -26.526820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.526820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.526820 (E_RNA) where: Base-Base interactions energy: -8.472 where: short stacking energy: -8.472 Base-Backbone interact. energy: -0.098 local terms energy: -17.956792 where: bonds (distance) C4'-P energy: -5.349 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -4.967 flat angles P-C4'-P energy: -1.548 tors. eta vs tors. theta energy: 1.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 43 Temperature: 0.900000 Total energy: -39.550772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.550772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.550772 (E_RNA) where: Base-Base interactions energy: -12.729 where: short stacking energy: -11.731 Base-Backbone interact. energy: -0.001 local terms energy: -26.820633 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -5.131 flat angles P-C4'-P energy: -3.856 tors. eta vs tors. theta energy: -4.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 43 Temperature: 0.950000 Total energy: -37.910471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.910471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.910471 (E_RNA) where: Base-Base interactions energy: -13.883 where: short stacking energy: -13.883 Base-Backbone interact. energy: -0.000 local terms energy: -24.027079 where: bonds (distance) C4'-P energy: -6.044 bonds (distance) P-C4' energy: -5.870 flat angles C4'-P-C4' energy: -3.680 flat angles P-C4'-P energy: -4.077 tors. eta vs tors. theta energy: -4.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 43 Temperature: 1.000000 Total energy: -34.885827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.885827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.885827 (E_RNA) where: Base-Base interactions energy: -10.573 where: short stacking energy: -10.573 Base-Backbone interact. energy: -0.159 local terms energy: -24.153858 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -5.679 flat angles P-C4'-P energy: -4.322 tors. eta vs tors. theta energy: -2.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 43 Temperature: 1.050000 Total energy: -36.124231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.124231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.124231 (E_RNA) where: Base-Base interactions energy: -12.634 where: short stacking energy: -12.634 Base-Backbone interact. energy: 0.153 local terms energy: -23.642552 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -6.401 flat angles P-C4'-P energy: -3.047 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: 5, replica: 7 ===================================== Write number: 43 Temperature: 1.100000 Total energy: -35.239171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.239171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.239171 (E_RNA) where: Base-Base interactions energy: -13.477 where: short stacking energy: -13.477 Base-Backbone interact. energy: -0.000 local terms energy: -21.761640 where: bonds (distance) C4'-P energy: -5.261 bonds (distance) P-C4' energy: -6.097 flat angles C4'-P-C4' energy: -4.840 flat angles P-C4'-P energy: -1.952 tors. eta vs tors. theta energy: -3.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 43 Temperature: 1.150000 Total energy: -33.834302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.834302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.834302 (E_RNA) where: Base-Base interactions energy: -14.621 where: short stacking energy: -14.621 Base-Backbone interact. energy: -0.006 local terms energy: -19.207349 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -5.839 flat angles C4'-P-C4' energy: -3.944 flat angles P-C4'-P energy: -0.729 tors. eta vs tors. theta energy: -2.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 43 Temperature: 1.200000 Total energy: -27.484597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.484597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.484597 (E_RNA) where: Base-Base interactions energy: -6.260 where: short stacking energy: -6.260 Base-Backbone interact. energy: -0.067 local terms energy: -21.157104 where: bonds (distance) C4'-P energy: -6.246 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -5.447 flat angles P-C4'-P energy: -4.095 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: 5 ===================================== Write number: 43 Temperature: 1.250000 Total energy: -28.045069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.045069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.045069 (E_RNA) where: Base-Base interactions energy: -6.981 where: short stacking energy: -6.981 Base-Backbone interact. energy: -0.006 local terms energy: -21.058767 where: bonds (distance) C4'-P energy: -5.037 bonds (distance) P-C4' energy: -5.830 flat angles C4'-P-C4' energy: -3.729 flat angles P-C4'-P energy: -3.503 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: 9, replica: 10 ===================================== Write number: 43 Temperature: 1.300000 Total energy: -28.631165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.631165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.631165 (E_RNA) where: Base-Base interactions energy: -8.535 where: short stacking energy: -8.535 Base-Backbone interact. energy: -0.007 local terms energy: -20.089401 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -5.658 flat angles P-C4'-P energy: -2.807 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: 1 ===================================== Write number: 43 Temperature: 1.350000 Total energy: -28.045664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.045664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.045664 (E_RNA) where: Base-Base interactions energy: -6.846 where: short stacking energy: -6.846 Base-Backbone interact. energy: -0.103 local terms energy: -21.096464 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -3.978 flat angles P-C4'-P energy: -3.941 tors. eta vs tors. theta energy: -1.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 44 Temperature: 0.900000 Total energy: -40.496827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.496827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.496827 (E_RNA) where: Base-Base interactions energy: -14.968 where: short stacking energy: -14.968 Base-Backbone interact. energy: -0.000 local terms energy: -25.528528 where: bonds (distance) C4'-P energy: -4.747 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.800 flat angles P-C4'-P energy: -3.699 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: 2 ===================================== Write number: 44 Temperature: 0.950000 Total energy: -38.326790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.326790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.326790 (E_RNA) where: Base-Base interactions energy: -13.329 where: short stacking energy: -13.329 Base-Backbone interact. energy: -0.001 local terms energy: -24.997264 where: bonds (distance) C4'-P energy: -4.781 bonds (distance) P-C4' energy: -7.144 flat angles C4'-P-C4' energy: -6.012 flat angles P-C4'-P energy: -4.496 tors. eta vs tors. theta energy: -2.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 44 Temperature: 1.000000 Total energy: -38.278276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.278276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.278276 (E_RNA) where: Base-Base interactions energy: -13.391 where: short stacking energy: -13.391 Base-Backbone interact. energy: -0.096 local terms energy: -24.791777 where: bonds (distance) C4'-P energy: -5.696 bonds (distance) P-C4' energy: -5.763 flat angles C4'-P-C4' energy: -6.205 flat angles P-C4'-P energy: -4.245 tors. eta vs tors. theta energy: -2.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 44 Temperature: 1.050000 Total energy: -38.350730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.350730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.350730 (E_RNA) where: Base-Base interactions energy: -14.959 where: short stacking energy: -14.959 Base-Backbone interact. energy: -0.039 local terms energy: -23.352529 where: bonds (distance) C4'-P energy: -4.487 bonds (distance) P-C4' energy: -5.276 flat angles C4'-P-C4' energy: -5.368 flat angles P-C4'-P energy: -3.890 tors. eta vs tors. theta energy: -4.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 44 Temperature: 1.100000 Total energy: -34.014422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.014422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.014422 (E_RNA) where: Base-Base interactions energy: -12.022 where: short stacking energy: -12.022 Base-Backbone interact. energy: -0.003 local terms energy: -21.989718 where: bonds (distance) C4'-P energy: -5.368 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -3.847 flat angles P-C4'-P energy: -3.884 tors. eta vs tors. theta energy: -1.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 44 Temperature: 1.150000 Total energy: -32.494450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.494450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.494450 (E_RNA) where: Base-Base interactions energy: -9.893 where: short stacking energy: -9.200 Base-Backbone interact. energy: -0.000 local terms energy: -22.601586 where: bonds (distance) C4'-P energy: -5.650 bonds (distance) P-C4' energy: -4.110 flat angles C4'-P-C4' energy: -6.588 flat angles P-C4'-P energy: -1.143 tors. eta vs tors. theta energy: -5.110 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: 44 Temperature: 1.200000 Total energy: -34.241392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.241392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.241392 (E_RNA) where: Base-Base interactions energy: -9.627 where: short stacking energy: -9.627 Base-Backbone interact. energy: -0.066 local terms energy: -24.548979 where: bonds (distance) C4'-P energy: -4.871 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -5.724 flat angles P-C4'-P energy: -3.744 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: 44 Temperature: 1.250000 Total energy: -31.286402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.286402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.286402 (E_RNA) where: Base-Base interactions energy: -9.770 where: short stacking energy: -9.770 Base-Backbone interact. energy: 0.315 local terms energy: -21.831705 where: bonds (distance) C4'-P energy: -2.454 bonds (distance) P-C4' energy: -5.956 flat angles C4'-P-C4' energy: -5.474 flat angles P-C4'-P energy: -3.189 tors. eta vs tors. theta energy: -4.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 44 Temperature: 1.300000 Total energy: -31.827214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.827214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.827214 (E_RNA) where: Base-Base interactions energy: -11.257 where: short stacking energy: -11.257 Base-Backbone interact. energy: -0.001 local terms energy: -20.569933 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -5.723 flat angles C4'-P-C4' energy: -6.451 flat angles P-C4'-P energy: -1.315 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: 10, replica: 1 ===================================== Write number: 44 Temperature: 1.350000 Total energy: -24.798027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.798027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.798027 (E_RNA) where: Base-Base interactions energy: -8.722 where: short stacking energy: -8.722 Base-Backbone interact. energy: -0.029 local terms energy: -16.046432 where: bonds (distance) C4'-P energy: -3.573 bonds (distance) P-C4' energy: -5.699 flat angles C4'-P-C4' energy: -3.507 flat angles P-C4'-P energy: -2.466 tors. eta vs tors. theta energy: -0.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 45 Temperature: 0.900000 Total energy: -41.291165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.291165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.291165 (E_RNA) where: Base-Base interactions energy: -15.453 where: short stacking energy: -15.453 Base-Backbone interact. energy: -0.000 local terms energy: -25.838332 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -3.929 flat angles C4'-P-C4' energy: -6.008 flat angles P-C4'-P energy: -5.165 tors. eta vs tors. theta energy: -4.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 45 Temperature: 0.950000 Total energy: -39.531073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.531073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.531073 (E_RNA) where: Base-Base interactions energy: -14.066 where: short stacking energy: -14.066 Base-Backbone interact. energy: -0.000 local terms energy: -25.464954 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -6.358 flat angles C4'-P-C4' energy: -6.311 flat angles P-C4'-P energy: -4.244 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: 3, replica: 2 ===================================== Write number: 45 Temperature: 1.000000 Total energy: -36.453736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.453736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.453736 (E_RNA) where: Base-Base interactions energy: -12.081 where: short stacking energy: -12.081 Base-Backbone interact. energy: -0.000 local terms energy: -24.372984 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -3.916 flat angles P-C4'-P energy: -5.459 tors. eta vs tors. theta energy: -1.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 45 Temperature: 1.050000 Total energy: -35.369756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.369756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.369756 (E_RNA) where: Base-Base interactions energy: -13.366 where: short stacking energy: -13.366 Base-Backbone interact. energy: -0.000 local terms energy: -22.003285 where: bonds (distance) C4'-P energy: -5.100 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -5.381 flat angles P-C4'-P energy: -3.416 tors. eta vs tors. theta energy: -0.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 45 Temperature: 1.100000 Total energy: -30.625046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.625046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.625046 (E_RNA) where: Base-Base interactions energy: -9.611 where: short stacking energy: -7.849 Base-Backbone interact. energy: -0.177 local terms energy: -20.837322 where: bonds (distance) C4'-P energy: -4.839 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -3.547 flat angles P-C4'-P energy: -5.364 tors. eta vs tors. theta energy: -0.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 45 Temperature: 1.150000 Total energy: -30.243277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.243277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.243277 (E_RNA) where: Base-Base interactions energy: -6.677 where: short stacking energy: -6.677 Base-Backbone interact. energy: -0.000 local terms energy: -23.566585 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -5.537 flat angles C4'-P-C4' energy: -5.652 flat angles P-C4'-P energy: -3.995 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: 7, replica: 7 ===================================== Write number: 45 Temperature: 1.200000 Total energy: -36.408402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.408402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.408402 (E_RNA) where: Base-Base interactions energy: -12.631 where: short stacking energy: -12.631 Base-Backbone interact. energy: -0.015 local terms energy: -23.762428 where: bonds (distance) C4'-P energy: -4.673 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -4.842 flat angles P-C4'-P energy: -4.540 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: 8, replica: 10 ===================================== Write number: 45 Temperature: 1.250000 Total energy: -29.239310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.239310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.239310 (E_RNA) where: Base-Base interactions energy: -12.412 where: short stacking energy: -12.412 Base-Backbone interact. energy: -0.000 local terms energy: -16.826922 where: bonds (distance) C4'-P energy: -4.781 bonds (distance) P-C4' energy: -4.252 flat angles C4'-P-C4' energy: -3.904 flat angles P-C4'-P energy: -3.039 tors. eta vs tors. theta energy: -0.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 45 Temperature: 1.300000 Total energy: -26.326713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.326713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.326713 (E_RNA) where: Base-Base interactions energy: -13.406 where: short stacking energy: -13.406 Base-Backbone interact. energy: -0.116 local terms energy: -12.804879 where: bonds (distance) C4'-P energy: -4.578 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: 1.006 flat angles P-C4'-P energy: -2.477 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: 1 ===================================== Write number: 45 Temperature: 1.350000 Total energy: -31.311376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.311376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.311376 (E_RNA) where: Base-Base interactions energy: -13.252 where: short stacking energy: -13.252 Base-Backbone interact. energy: -0.024 local terms energy: -18.035688 where: bonds (distance) C4'-P energy: -3.949 bonds (distance) P-C4' energy: -4.988 flat angles C4'-P-C4' energy: -6.100 flat angles P-C4'-P energy: -1.525 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: 1, replica: 8 ===================================== Write number: 46 Temperature: 0.900000 Total energy: -38.368738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.368738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.368738 (E_RNA) where: Base-Base interactions energy: -14.114 where: short stacking energy: -14.114 Base-Backbone interact. energy: -0.000 local terms energy: -24.254500 where: bonds (distance) C4'-P energy: -5.402 bonds (distance) P-C4' energy: -5.058 flat angles C4'-P-C4' energy: -6.416 flat angles P-C4'-P energy: -4.609 tors. eta vs tors. theta energy: -2.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 46 Temperature: 0.950000 Total energy: -39.791868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.791868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.791868 (E_RNA) where: Base-Base interactions energy: -13.354 where: short stacking energy: -13.354 Base-Backbone interact. energy: -0.000 local terms energy: -26.438230 where: bonds (distance) C4'-P energy: -5.294 bonds (distance) P-C4' energy: -4.389 flat angles C4'-P-C4' energy: -5.735 flat angles P-C4'-P energy: -5.440 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: 3, replica: 6 ===================================== Write number: 46 Temperature: 1.000000 Total energy: -32.843692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.843692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.843692 (E_RNA) where: Base-Base interactions energy: -12.179 where: short stacking energy: -12.179 Base-Backbone interact. energy: -0.136 local terms energy: -20.529040 where: bonds (distance) C4'-P energy: -5.650 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -6.494 flat angles P-C4'-P energy: -1.776 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: 4, replica: 2 ===================================== Write number: 46 Temperature: 1.050000 Total energy: -38.735903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.735903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.735903 (E_RNA) where: Base-Base interactions energy: -13.611 where: short stacking energy: -13.611 Base-Backbone interact. energy: -0.000 local terms energy: -25.124584 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -4.926 flat angles P-C4'-P energy: -3.405 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: 5, replica: 3 ===================================== Write number: 46 Temperature: 1.100000 Total energy: -31.300345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.300345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.300345 (E_RNA) where: Base-Base interactions energy: -10.420 where: short stacking energy: -11.542 Base-Backbone interact. energy: -0.108 local terms energy: -20.772172 where: bonds (distance) C4'-P energy: -5.207 bonds (distance) P-C4' energy: -4.165 flat angles C4'-P-C4' energy: -5.007 flat angles P-C4'-P energy: -3.892 tors. eta vs tors. theta energy: -2.501 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: 6, replica: 5 ===================================== Write number: 46 Temperature: 1.150000 Total energy: -35.093754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.093754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.093754 (E_RNA) where: Base-Base interactions energy: -11.216 where: short stacking energy: -11.216 Base-Backbone interact. energy: -0.005 local terms energy: -23.872007 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -4.591 flat angles P-C4'-P energy: -3.631 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: 7, replica: 10 ===================================== Write number: 46 Temperature: 1.200000 Total energy: -28.472494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.472494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.472494 (E_RNA) where: Base-Base interactions energy: -9.215 where: short stacking energy: -9.215 Base-Backbone interact. energy: -0.003 local terms energy: -19.254219 where: bonds (distance) C4'-P energy: -5.766 bonds (distance) P-C4' energy: -4.199 flat angles C4'-P-C4' energy: -5.107 flat angles P-C4'-P energy: -3.501 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: 8, replica: 7 ===================================== Write number: 46 Temperature: 1.250000 Total energy: -32.733039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.733039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.733039 (E_RNA) where: Base-Base interactions energy: -14.051 where: short stacking energy: -14.051 Base-Backbone interact. energy: -0.015 local terms energy: -18.666688 where: bonds (distance) C4'-P energy: -4.619 bonds (distance) P-C4' energy: -4.367 flat angles C4'-P-C4' energy: -0.787 flat angles P-C4'-P energy: -4.674 tors. eta vs tors. theta energy: -4.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 46 Temperature: 1.300000 Total energy: -26.529219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.529219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.529219 (E_RNA) where: Base-Base interactions energy: -8.393 where: short stacking energy: -8.393 Base-Backbone interact. energy: -0.004 local terms energy: -18.132791 where: bonds (distance) C4'-P energy: -3.423 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.185 flat angles P-C4'-P energy: -4.659 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: 9 ===================================== Write number: 46 Temperature: 1.350000 Total energy: -27.087941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.087941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.087941 (E_RNA) where: Base-Base interactions energy: -7.318 where: short stacking energy: -7.318 Base-Backbone interact. energy: -0.001 local terms energy: -19.769448 where: bonds (distance) C4'-P energy: -5.535 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -4.361 flat angles P-C4'-P energy: -1.853 tors. eta vs tors. theta energy: -1.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 47 Temperature: 0.900000 Total energy: -39.964856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.964856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.964856 (E_RNA) where: Base-Base interactions energy: -14.364 where: short stacking energy: -14.364 Base-Backbone interact. energy: -0.010 local terms energy: -25.591211 where: bonds (distance) C4'-P energy: -6.246 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -5.273 flat angles P-C4'-P energy: -4.787 tors. eta vs tors. theta energy: -4.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 47 Temperature: 0.950000 Total energy: -40.512070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.512070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.512070 (E_RNA) where: Base-Base interactions energy: -16.832 where: short stacking energy: -16.832 Base-Backbone interact. energy: 0.532 local terms energy: -24.211979 where: bonds (distance) C4'-P energy: -5.481 bonds (distance) P-C4' energy: -5.494 flat angles C4'-P-C4' energy: -6.008 flat angles P-C4'-P energy: -4.254 tors. eta vs tors. theta energy: -2.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 47 Temperature: 1.000000 Total energy: -35.926051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.926051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.926051 (E_RNA) where: Base-Base interactions energy: -12.868 where: short stacking energy: -12.868 Base-Backbone interact. energy: -0.000 local terms energy: -23.057682 where: bonds (distance) C4'-P energy: -5.191 bonds (distance) P-C4' energy: -5.969 flat angles C4'-P-C4' energy: -5.267 flat angles P-C4'-P energy: -2.489 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: 3 ===================================== Write number: 47 Temperature: 1.050000 Total energy: -37.890456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.890456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.890456 (E_RNA) where: Base-Base interactions energy: -12.288 where: short stacking energy: -12.288 Base-Backbone interact. energy: 0.073 local terms energy: -25.674890 where: bonds (distance) C4'-P energy: -5.278 bonds (distance) P-C4' energy: -6.873 flat angles C4'-P-C4' energy: -5.523 flat angles P-C4'-P energy: -3.809 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: 5, replica: 2 ===================================== Write number: 47 Temperature: 1.100000 Total energy: -36.072737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.072737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.072737 (E_RNA) where: Base-Base interactions energy: -12.376 where: short stacking energy: -12.376 Base-Backbone interact. energy: -0.013 local terms energy: -23.684459 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -4.354 flat angles P-C4'-P energy: -3.863 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: 6, replica: 10 ===================================== Write number: 47 Temperature: 1.150000 Total energy: -34.020050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.020050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.020050 (E_RNA) where: Base-Base interactions energy: -9.724 where: short stacking energy: -9.724 Base-Backbone interact. energy: -0.042 local terms energy: -24.253147 where: bonds (distance) C4'-P energy: -5.402 bonds (distance) P-C4' energy: -5.935 flat angles C4'-P-C4' energy: -6.187 flat angles P-C4'-P energy: -3.794 tors. eta vs tors. theta energy: -2.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 47 Temperature: 1.200000 Total energy: -35.294355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.294355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.294355 (E_RNA) where: Base-Base interactions energy: -10.872 where: short stacking energy: -9.890 Base-Backbone interact. energy: -0.037 local terms energy: -24.385839 where: bonds (distance) C4'-P energy: -4.285 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -6.500 flat angles P-C4'-P energy: -5.478 tors. eta vs tors. theta energy: -1.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 47 Temperature: 1.250000 Total energy: -29.159577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.159577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.159577 (E_RNA) where: Base-Base interactions energy: -4.207 where: short stacking energy: -3.963 Base-Backbone interact. energy: -0.015 local terms energy: -24.937465 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -5.467 flat angles P-C4'-P energy: -5.279 tors. eta vs tors. theta energy: -2.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 47 Temperature: 1.300000 Total energy: -33.709648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.709648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.709648 (E_RNA) where: Base-Base interactions energy: -9.599 where: short stacking energy: -9.599 Base-Backbone interact. energy: -0.040 local terms energy: -24.070811 where: bonds (distance) C4'-P energy: -5.580 bonds (distance) P-C4' energy: -5.159 flat angles C4'-P-C4' energy: -5.613 flat angles P-C4'-P energy: -3.294 tors. eta vs tors. theta energy: -4.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 47 Temperature: 1.350000 Total energy: -33.420783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.420783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.420783 (E_RNA) where: Base-Base interactions energy: -10.246 where: short stacking energy: -10.246 Base-Backbone interact. energy: -0.019 local terms energy: -23.155061 where: bonds (distance) C4'-P energy: -2.856 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -5.003 flat angles P-C4'-P energy: -4.207 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: 1, replica: 8 ===================================== Write number: 48 Temperature: 0.900000 Total energy: -37.762504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.762504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.762504 (E_RNA) where: Base-Base interactions energy: -17.371 where: short stacking energy: -17.371 Base-Backbone interact. energy: 0.072 local terms energy: -20.463088 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -4.398 flat angles C4'-P-C4' energy: -5.387 flat angles P-C4'-P energy: -2.570 tors. eta vs tors. theta energy: -2.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 48 Temperature: 0.950000 Total energy: -35.458469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.458469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.458469 (E_RNA) where: Base-Base interactions energy: -13.066 where: short stacking energy: -13.066 Base-Backbone interact. energy: -0.088 local terms energy: -22.304212 where: bonds (distance) C4'-P energy: -4.251 bonds (distance) P-C4' energy: -5.956 flat angles C4'-P-C4' energy: -6.005 flat angles P-C4'-P energy: -3.973 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: 3 ===================================== Write number: 48 Temperature: 1.000000 Total energy: -33.598746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.598746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.598746 (E_RNA) where: Base-Base interactions energy: -10.230 where: short stacking energy: -10.230 Base-Backbone interact. energy: -0.089 local terms energy: -23.279757 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.545 flat angles P-C4'-P energy: -2.196 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: 4, replica: 4 ===================================== Write number: 48 Temperature: 1.050000 Total energy: -37.160089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.160089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.160089 (E_RNA) where: Base-Base interactions energy: -12.882 where: short stacking energy: -12.882 Base-Backbone interact. energy: -0.002 local terms energy: -24.276057 where: bonds (distance) C4'-P energy: -5.667 bonds (distance) P-C4' energy: -6.417 flat angles C4'-P-C4' energy: -5.865 flat angles P-C4'-P energy: -4.191 tors. eta vs tors. theta energy: -2.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 48 Temperature: 1.100000 Total energy: -35.812562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.812562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.812562 (E_RNA) where: Base-Base interactions energy: -12.986 where: short stacking energy: -12.986 Base-Backbone interact. energy: -0.260 local terms energy: -22.566669 where: bonds (distance) C4'-P energy: -4.516 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -3.692 flat angles P-C4'-P energy: -5.210 tors. eta vs tors. theta energy: -2.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 48 Temperature: 1.150000 Total energy: -33.552272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.552272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.552272 (E_RNA) where: Base-Base interactions energy: -12.306 where: short stacking energy: -12.306 Base-Backbone interact. energy: -0.000 local terms energy: -21.245929 where: bonds (distance) C4'-P energy: -4.959 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -3.720 flat angles P-C4'-P energy: -2.744 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: 1 ===================================== Write number: 48 Temperature: 1.200000 Total energy: -34.528511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.528511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.528511 (E_RNA) where: Base-Base interactions energy: -13.478 where: short stacking energy: -13.478 Base-Backbone interact. energy: 1.041 local terms energy: -22.092145 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -3.610 flat angles C4'-P-C4' energy: -5.781 flat angles P-C4'-P energy: -3.852 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: 8, replica: 5 ===================================== Write number: 48 Temperature: 1.250000 Total energy: -30.578117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.578117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.578117 (E_RNA) where: Base-Base interactions energy: -8.650 where: short stacking energy: -8.650 Base-Backbone interact. energy: -0.013 local terms energy: -21.914876 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -4.556 flat angles P-C4'-P energy: -4.283 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: 9, replica: 9 ===================================== Write number: 48 Temperature: 1.300000 Total energy: -27.152804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.152804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.152804 (E_RNA) where: Base-Base interactions energy: -5.303 where: short stacking energy: -5.303 Base-Backbone interact. energy: -0.110 local terms energy: -21.739259 where: bonds (distance) C4'-P energy: -4.761 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -6.244 flat angles P-C4'-P energy: -3.240 tors. eta vs tors. theta energy: -0.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 48 Temperature: 1.350000 Total energy: -37.666980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.666980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.666980 (E_RNA) where: Base-Base interactions energy: -12.181 where: short stacking energy: -12.181 Base-Backbone interact. energy: -0.000 local terms energy: -25.486170 where: bonds (distance) C4'-P energy: -6.453 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -5.245 flat angles P-C4'-P energy: -4.162 tors. eta vs tors. theta energy: -2.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 49 Temperature: 0.900000 Total energy: -42.639726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.639726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.639726 (E_RNA) where: Base-Base interactions energy: -18.076 where: short stacking energy: -18.076 Base-Backbone interact. energy: -0.001 local terms energy: -24.563259 where: bonds (distance) C4'-P energy: -6.006 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -5.653 flat angles P-C4'-P energy: -3.209 tors. eta vs tors. theta energy: -3.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 49 Temperature: 0.950000 Total energy: -36.284860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.284860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.284860 (E_RNA) where: Base-Base interactions energy: -13.033 where: short stacking energy: -13.033 Base-Backbone interact. energy: -0.091 local terms energy: -23.160210 where: bonds (distance) C4'-P energy: -4.330 bonds (distance) P-C4' energy: -7.144 flat angles C4'-P-C4' energy: -4.559 flat angles P-C4'-P energy: -4.146 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: 3, replica: 6 ===================================== Write number: 49 Temperature: 1.000000 Total energy: -36.671382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.671382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.671382 (E_RNA) where: Base-Base interactions energy: -11.253 where: short stacking energy: -11.253 Base-Backbone interact. energy: -0.001 local terms energy: -25.418336 where: bonds (distance) C4'-P energy: -5.766 bonds (distance) P-C4' energy: -4.876 flat angles C4'-P-C4' energy: -4.308 flat angles P-C4'-P energy: -5.260 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: 4, replica: 4 ===================================== Write number: 49 Temperature: 1.050000 Total energy: -43.142808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.142808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.142808 (E_RNA) where: Base-Base interactions energy: -15.864 where: short stacking energy: -15.864 Base-Backbone interact. energy: -0.000 local terms energy: -27.278784 where: bonds (distance) C4'-P energy: -4.859 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -4.896 flat angles P-C4'-P energy: -4.263 tors. eta vs tors. theta energy: -6.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 49 Temperature: 1.100000 Total energy: -33.905943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.905943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.905943 (E_RNA) where: Base-Base interactions energy: -11.828 where: short stacking energy: -12.106 Base-Backbone interact. energy: -0.000 local terms energy: -22.078073 where: bonds (distance) C4'-P energy: -4.451 bonds (distance) P-C4' energy: -5.833 flat angles C4'-P-C4' energy: -4.229 flat angles P-C4'-P energy: -3.803 tors. eta vs tors. theta energy: -3.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 49 Temperature: 1.150000 Total energy: -34.500556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.500556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.500556 (E_RNA) where: Base-Base interactions energy: -13.872 where: short stacking energy: -13.872 Base-Backbone interact. energy: -0.002 local terms energy: -20.626898 where: bonds (distance) C4'-P energy: -3.859 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -5.847 flat angles P-C4'-P energy: -2.350 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: 7, replica: 2 ===================================== Write number: 49 Temperature: 1.200000 Total energy: -33.502441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.502441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.502441 (E_RNA) where: Base-Base interactions energy: -13.422 where: short stacking energy: -13.422 Base-Backbone interact. energy: -0.014 local terms energy: -20.066480 where: bonds (distance) C4'-P energy: -5.025 bonds (distance) P-C4' energy: -4.948 flat angles C4'-P-C4' energy: -2.890 flat angles P-C4'-P energy: -4.380 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: 8, replica: 9 ===================================== Write number: 49 Temperature: 1.250000 Total energy: -32.434847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.434847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.434847 (E_RNA) where: Base-Base interactions energy: -8.952 where: short stacking energy: -8.952 Base-Backbone interact. energy: -0.100 local terms energy: -23.382835 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -4.950 flat angles P-C4'-P energy: -4.788 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: 9, replica: 5 ===================================== Write number: 49 Temperature: 1.300000 Total energy: -27.737214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.737214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.737214 (E_RNA) where: Base-Base interactions energy: -13.813 where: short stacking energy: -13.813 Base-Backbone interact. energy: -0.002 local terms energy: -13.921688 where: bonds (distance) C4'-P energy: -5.306 bonds (distance) P-C4' energy: -1.945 flat angles C4'-P-C4' energy: -4.687 flat angles P-C4'-P energy: 0.336 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: 7 ===================================== Write number: 49 Temperature: 1.350000 Total energy: -33.141430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.141430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.141430 (E_RNA) where: Base-Base interactions energy: -12.721 where: short stacking energy: -12.721 Base-Backbone interact. energy: -0.000 local terms energy: -20.420704 where: bonds (distance) C4'-P energy: -4.872 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -5.390 flat angles P-C4'-P energy: -1.207 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: 8 ===================================== Write number: 50 Temperature: 0.900000 Total energy: -41.607925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.607925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.607925 (E_RNA) where: Base-Base interactions energy: -15.164 where: short stacking energy: -15.164 Base-Backbone interact. energy: -0.000 local terms energy: -26.443767 where: bonds (distance) C4'-P energy: -6.354 bonds (distance) P-C4' energy: -5.516 flat angles C4'-P-C4' energy: -5.723 flat angles P-C4'-P energy: -3.787 tors. eta vs tors. theta energy: -5.064 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: 3 ===================================== Write number: 50 Temperature: 0.950000 Total energy: -39.877191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.877191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.877191 (E_RNA) where: Base-Base interactions energy: -15.482 where: short stacking energy: -15.482 Base-Backbone interact. energy: -0.000 local terms energy: -24.395203 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -6.914 flat angles C4'-P-C4' energy: -4.402 flat angles P-C4'-P energy: -4.888 tors. eta vs tors. theta energy: -3.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 50 Temperature: 1.000000 Total energy: -39.076049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.076049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.076049 (E_RNA) where: Base-Base interactions energy: -13.001 where: short stacking energy: -13.001 Base-Backbone interact. energy: -0.000 local terms energy: -26.074676 where: bonds (distance) C4'-P energy: -5.287 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -5.269 flat angles P-C4'-P energy: -3.773 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: 4, replica: 4 ===================================== Write number: 50 Temperature: 1.050000 Total energy: -42.326947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.326947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.326947 (E_RNA) where: Base-Base interactions energy: -15.412 where: short stacking energy: -15.412 Base-Backbone interact. energy: -0.000 local terms energy: -26.915276 where: bonds (distance) C4'-P energy: -4.880 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -6.061 flat angles P-C4'-P energy: -4.282 tors. eta vs tors. theta energy: -4.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 50 Temperature: 1.100000 Total energy: -37.110159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.110159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.110159 (E_RNA) where: Base-Base interactions energy: -13.730 where: short stacking energy: -13.730 Base-Backbone interact. energy: -0.000 local terms energy: -23.380119 where: bonds (distance) C4'-P energy: -5.509 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -4.844 flat angles P-C4'-P energy: -1.820 tors. eta vs tors. theta energy: -4.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 50 Temperature: 1.150000 Total energy: -32.972969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.972969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.972969 (E_RNA) where: Base-Base interactions energy: -12.288 where: short stacking energy: -12.288 Base-Backbone interact. energy: -0.021 local terms energy: -20.664219 where: bonds (distance) C4'-P energy: -3.957 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -3.990 flat angles P-C4'-P energy: -3.784 tors. eta vs tors. theta energy: -2.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 50 Temperature: 1.200000 Total energy: -28.619165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.619165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.619165 (E_RNA) where: Base-Base interactions energy: -9.745 where: short stacking energy: -9.745 Base-Backbone interact. energy: -0.002 local terms energy: -18.871866 where: bonds (distance) C4'-P energy: -1.833 bonds (distance) P-C4' energy: -6.097 flat angles C4'-P-C4' energy: -5.591 flat angles P-C4'-P energy: -2.964 tors. eta vs tors. theta energy: -2.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 50 Temperature: 1.250000 Total energy: -34.942134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.942134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.942134 (E_RNA) where: Base-Base interactions energy: -10.088 where: short stacking energy: -10.088 Base-Backbone interact. energy: -0.143 local terms energy: -24.710936 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -4.675 flat angles P-C4'-P energy: -4.793 tors. eta vs tors. theta energy: -2.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 50 Temperature: 1.300000 Total energy: -32.044774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.044774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.044774 (E_RNA) where: Base-Base interactions energy: -14.241 where: short stacking energy: -14.241 Base-Backbone interact. energy: -0.011 local terms energy: -17.792112 where: bonds (distance) C4'-P energy: -2.732 bonds (distance) P-C4' energy: -5.941 flat angles C4'-P-C4' energy: -5.951 flat angles P-C4'-P energy: -1.912 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: 10, replica: 5 ===================================== Write number: 50 Temperature: 1.350000 Total energy: -31.151173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.151173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.151173 (E_RNA) where: Base-Base interactions energy: -11.236 where: short stacking energy: -11.884 Base-Backbone interact. energy: -0.866 local terms energy: -19.049242 where: bonds (distance) C4'-P energy: -3.738 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -3.640 flat angles P-C4'-P energy: -1.849 tors. eta vs tors. theta energy: -3.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 51 Temperature: 0.900000 Total energy: -40.196481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.196481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.196481 (E_RNA) where: Base-Base interactions energy: -12.027 where: short stacking energy: -12.027 Base-Backbone interact. energy: -0.000 local terms energy: -28.168683 where: bonds (distance) C4'-P energy: -4.781 bonds (distance) P-C4' energy: -6.622 flat angles C4'-P-C4' energy: -6.587 flat angles P-C4'-P energy: -4.292 tors. eta vs tors. theta energy: -5.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 51 Temperature: 0.950000 Total energy: -33.161719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.161719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.161719 (E_RNA) where: Base-Base interactions energy: -10.012 where: short stacking energy: -10.012 Base-Backbone interact. energy: -1.961 local terms energy: -21.188553 where: bonds (distance) C4'-P energy: -5.518 bonds (distance) P-C4' energy: -5.327 flat angles C4'-P-C4' energy: -5.433 flat angles P-C4'-P energy: -4.426 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: 3, replica: 3 ===================================== Write number: 51 Temperature: 1.000000 Total energy: -32.014760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.014760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.014760 (E_RNA) where: Base-Base interactions energy: -6.230 where: short stacking energy: -6.230 Base-Backbone interact. energy: -0.044 local terms energy: -25.740159 where: bonds (distance) C4'-P energy: -6.006 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -5.559 flat angles P-C4'-P energy: -4.722 tors. eta vs tors. theta energy: -3.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 51 Temperature: 1.050000 Total energy: -31.193742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.193742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.193742 (E_RNA) where: Base-Base interactions energy: -11.674 where: short stacking energy: -11.674 Base-Backbone interact. energy: -0.003 local terms energy: -19.517192 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -5.621 flat angles P-C4'-P energy: -1.715 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: 51 Temperature: 1.100000 Total energy: -32.460044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.460044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.460044 (E_RNA) where: Base-Base interactions energy: -9.472 where: short stacking energy: -9.472 Base-Backbone interact. energy: -0.000 local terms energy: -22.987475 where: bonds (distance) C4'-P energy: -2.574 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -6.094 flat angles P-C4'-P energy: -3.009 tors. eta vs tors. theta energy: -4.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 51 Temperature: 1.150000 Total energy: -36.245974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.245974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.245974 (E_RNA) where: Base-Base interactions energy: -16.447 where: short stacking energy: -16.447 Base-Backbone interact. energy: -0.000 local terms energy: -19.799270 where: bonds (distance) C4'-P energy: -5.402 bonds (distance) P-C4' energy: -6.094 flat angles C4'-P-C4' energy: -1.142 flat angles P-C4'-P energy: -3.614 tors. eta vs tors. theta energy: -3.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 51 Temperature: 1.200000 Total energy: -33.289275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.289275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.289275 (E_RNA) where: Base-Base interactions energy: -11.968 where: short stacking energy: -11.968 Base-Backbone interact. energy: -0.001 local terms energy: -21.320503 where: bonds (distance) C4'-P energy: -3.502 bonds (distance) P-C4' energy: -6.678 flat angles C4'-P-C4' energy: -5.357 flat angles P-C4'-P energy: -2.380 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: 8, replica: 7 ===================================== Write number: 51 Temperature: 1.250000 Total energy: -31.884593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.884593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.884593 (E_RNA) where: Base-Base interactions energy: -11.632 where: short stacking energy: -11.632 Base-Backbone interact. energy: -0.082 local terms energy: -20.169976 where: bonds (distance) C4'-P energy: -4.639 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -5.105 flat angles P-C4'-P energy: -1.371 tors. eta vs tors. theta energy: -3.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 51 Temperature: 1.300000 Total energy: -28.012518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.012518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.012518 (E_RNA) where: Base-Base interactions energy: -5.193 where: short stacking energy: -5.193 Base-Backbone interact. energy: -0.000 local terms energy: -22.819176 where: bonds (distance) C4'-P energy: -5.766 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -6.039 flat angles P-C4'-P energy: -4.122 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: 5 ===================================== Write number: 51 Temperature: 1.350000 Total energy: -25.665708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.665708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.665708 (E_RNA) where: Base-Base interactions energy: -5.463 where: short stacking energy: -5.463 Base-Backbone interact. energy: -0.100 local terms energy: -20.102654 where: bonds (distance) C4'-P energy: -5.295 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -5.769 flat angles P-C4'-P energy: -3.612 tors. eta vs tors. theta energy: 0.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 52 Temperature: 0.900000 Total energy: -41.822116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.822116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.822116 (E_RNA) where: Base-Base interactions energy: -16.741 where: short stacking energy: -16.741 Base-Backbone interact. energy: -0.014 local terms energy: -25.066965 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -5.442 flat angles C4'-P-C4' energy: -5.021 flat angles P-C4'-P energy: -4.148 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: 2, replica: 8 ===================================== Write number: 52 Temperature: 0.950000 Total energy: -38.216963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.216963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.216963 (E_RNA) where: Base-Base interactions energy: -11.935 where: short stacking energy: -11.935 Base-Backbone interact. energy: -0.000 local terms energy: -26.281907 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -5.770 flat angles C4'-P-C4' energy: -5.621 flat angles P-C4'-P energy: -4.754 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: 1 ===================================== Write number: 52 Temperature: 1.000000 Total energy: -37.544677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.544677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.544677 (E_RNA) where: Base-Base interactions energy: -12.793 where: short stacking energy: -12.793 Base-Backbone interact. energy: -0.000 local terms energy: -24.751503 where: bonds (distance) C4'-P energy: -5.075 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.210 flat angles P-C4'-P energy: -3.277 tors. eta vs tors. theta energy: -4.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 52 Temperature: 1.050000 Total energy: -41.669100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.669100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.669100 (E_RNA) where: Base-Base interactions energy: -17.347 where: short stacking energy: -17.347 Base-Backbone interact. energy: -0.000 local terms energy: -24.322141 where: bonds (distance) C4'-P energy: -5.225 bonds (distance) P-C4' energy: -5.826 flat angles C4'-P-C4' energy: -4.338 flat angles P-C4'-P energy: -4.914 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: 5, replica: 9 ===================================== Write number: 52 Temperature: 1.100000 Total energy: -33.724276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.724276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.724276 (E_RNA) where: Base-Base interactions energy: -7.693 where: short stacking energy: -7.693 Base-Backbone interact. energy: -0.000 local terms energy: -26.031446 where: bonds (distance) C4'-P energy: -2.596 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.252 flat angles P-C4'-P energy: -5.062 tors. eta vs tors. theta energy: -6.221 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: 4 ===================================== Write number: 52 Temperature: 1.150000 Total energy: -31.095356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.095356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.095356 (E_RNA) where: Base-Base interactions energy: -9.956 where: short stacking energy: -9.956 Base-Backbone interact. energy: -0.009 local terms energy: -21.130490 where: bonds (distance) C4'-P energy: -4.694 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -5.673 flat angles P-C4'-P energy: -2.931 tors. eta vs tors. theta energy: -1.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 52 Temperature: 1.200000 Total energy: -31.844744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.844744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.844744 (E_RNA) where: Base-Base interactions energy: -10.506 where: short stacking energy: -10.506 Base-Backbone interact. energy: -0.071 local terms energy: -21.266962 where: bonds (distance) C4'-P energy: -6.060 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -4.958 flat angles P-C4'-P energy: -1.908 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: 8, replica: 10 ===================================== Write number: 52 Temperature: 1.250000 Total energy: -28.372493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.372493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.372493 (E_RNA) where: Base-Base interactions energy: -7.650 where: short stacking energy: -7.650 Base-Backbone interact. energy: -0.001 local terms energy: -20.721666 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.802 flat angles P-C4'-P energy: -1.596 tors. eta vs tors. theta energy: -0.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 52 Temperature: 1.300000 Total energy: -27.852558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.852558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.852558 (E_RNA) where: Base-Base interactions energy: -7.731 where: short stacking energy: -7.731 Base-Backbone interact. energy: -0.005 local terms energy: -20.117178 where: bonds (distance) C4'-P energy: -5.535 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -3.613 flat angles P-C4'-P energy: -3.606 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: 10, replica: 2 ===================================== Write number: 52 Temperature: 1.350000 Total energy: -31.164840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.164840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.164840 (E_RNA) where: Base-Base interactions energy: -6.731 where: short stacking energy: -6.731 Base-Backbone interact. energy: -0.000 local terms energy: -24.433273 where: bonds (distance) C4'-P energy: -3.866 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -6.001 flat angles P-C4'-P energy: -5.235 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: 1, replica: 6 ===================================== Write number: 53 Temperature: 0.900000 Total energy: -39.388859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.388859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.388859 (E_RNA) where: Base-Base interactions energy: -13.962 where: short stacking energy: -13.962 Base-Backbone interact. energy: -0.000 local terms energy: -25.426671 where: bonds (distance) C4'-P energy: -3.800 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -4.270 flat angles P-C4'-P energy: -4.689 tors. eta vs tors. theta energy: -5.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 53 Temperature: 0.950000 Total energy: -37.983080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.983080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.983080 (E_RNA) where: Base-Base interactions energy: -11.800 where: short stacking energy: -11.800 Base-Backbone interact. energy: -0.000 local terms energy: -26.183441 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -6.358 flat angles P-C4'-P energy: -4.274 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: 3, replica: 1 ===================================== Write number: 53 Temperature: 1.000000 Total energy: -34.491497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.491497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.491497 (E_RNA) where: Base-Base interactions energy: -9.388 where: short stacking energy: -9.388 Base-Backbone interact. energy: -0.008 local terms energy: -25.095369 where: bonds (distance) C4'-P energy: -6.362 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -5.345 flat angles P-C4'-P energy: -4.278 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: 4, replica: 3 ===================================== Write number: 53 Temperature: 1.050000 Total energy: -40.128358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.128358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.128358 (E_RNA) where: Base-Base interactions energy: -13.624 where: short stacking energy: -13.624 Base-Backbone interact. energy: -0.067 local terms energy: -26.437454 where: bonds (distance) C4'-P energy: -5.837 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -6.465 flat angles P-C4'-P energy: -3.861 tors. eta vs tors. theta energy: -3.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 53 Temperature: 1.100000 Total energy: -32.725029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.725029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.725029 (E_RNA) where: Base-Base interactions energy: -11.739 where: short stacking energy: -11.739 Base-Backbone interact. energy: -0.006 local terms energy: -20.980469 where: bonds (distance) C4'-P energy: -3.387 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -3.825 flat angles P-C4'-P energy: -4.955 tors. eta vs tors. theta energy: -2.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 53 Temperature: 1.150000 Total energy: -31.332752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.332752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.332752 (E_RNA) where: Base-Base interactions energy: -11.259 where: short stacking energy: -11.259 Base-Backbone interact. energy: -0.000 local terms energy: -20.073692 where: bonds (distance) C4'-P energy: -4.810 bonds (distance) P-C4' energy: -5.152 flat angles C4'-P-C4' energy: -4.407 flat angles P-C4'-P energy: -3.438 tors. eta vs tors. theta energy: -2.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 53 Temperature: 1.200000 Total energy: -29.371765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.371765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.371765 (E_RNA) where: Base-Base interactions energy: -8.676 where: short stacking energy: -8.676 Base-Backbone interact. energy: -0.080 local terms energy: -20.615703 where: bonds (distance) C4'-P energy: -5.580 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -5.554 flat angles P-C4'-P energy: -4.073 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: 8, replica: 5 ===================================== Write number: 53 Temperature: 1.250000 Total energy: -31.906072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.906072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.906072 (E_RNA) where: Base-Base interactions energy: -10.714 where: short stacking energy: -10.714 Base-Backbone interact. energy: -0.000 local terms energy: -21.191687 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -4.420 flat angles C4'-P-C4' energy: -5.242 flat angles P-C4'-P energy: -5.200 tors. eta vs tors. theta energy: -0.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 53 Temperature: 1.300000 Total energy: -31.382157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.382157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.382157 (E_RNA) where: Base-Base interactions energy: -11.963 where: short stacking energy: -11.963 Base-Backbone interact. energy: -0.001 local terms energy: -19.417982 where: bonds (distance) C4'-P energy: -5.265 bonds (distance) P-C4' energy: -5.631 flat angles C4'-P-C4' energy: -4.338 flat angles P-C4'-P energy: -1.253 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: 10, replica: 2 ===================================== Write number: 53 Temperature: 1.350000 Total energy: -29.653959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.653959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.653959 (E_RNA) where: Base-Base interactions energy: -8.064 where: short stacking energy: -8.064 Base-Backbone interact. energy: -0.073 local terms energy: -21.516265 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -4.844 flat angles P-C4'-P energy: -3.779 tors. eta vs tors. theta energy: -0.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 54 Temperature: 0.900000 Total energy: -39.110558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.110558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.110558 (E_RNA) where: Base-Base interactions energy: -14.530 where: short stacking energy: -14.530 Base-Backbone interact. energy: -0.057 local terms energy: -24.523227 where: bonds (distance) C4'-P energy: -5.419 bonds (distance) P-C4' energy: -6.438 flat angles C4'-P-C4' energy: -6.092 flat angles P-C4'-P energy: -3.381 tors. eta vs tors. theta energy: -3.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 54 Temperature: 0.950000 Total energy: -37.176749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.176749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.176749 (E_RNA) where: Base-Base interactions energy: -13.755 where: short stacking energy: -13.755 Base-Backbone interact. energy: -0.000 local terms energy: -23.421550 where: bonds (distance) C4'-P energy: -3.514 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -5.387 flat angles P-C4'-P energy: -4.544 tors. eta vs tors. theta energy: -4.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 54 Temperature: 1.000000 Total energy: -35.111954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.111954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.111954 (E_RNA) where: Base-Base interactions energy: -13.686 where: short stacking energy: -13.686 Base-Backbone interact. energy: -0.201 local terms energy: -21.224660 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -4.914 flat angles C4'-P-C4' energy: -4.877 flat angles P-C4'-P energy: -4.794 tors. eta vs tors. theta energy: -0.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 54 Temperature: 1.050000 Total energy: -30.613275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.613275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.613275 (E_RNA) where: Base-Base interactions energy: -8.113 where: short stacking energy: -8.113 Base-Backbone interact. energy: -0.090 local terms energy: -22.410643 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -7.130 flat angles C4'-P-C4' energy: -5.433 flat angles P-C4'-P energy: -4.974 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: 5, replica: 4 ===================================== Write number: 54 Temperature: 1.100000 Total energy: -32.612425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.612425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.612425 (E_RNA) where: Base-Base interactions energy: -9.198 where: short stacking energy: -9.198 Base-Backbone interact. energy: -0.000 local terms energy: -23.414087 where: bonds (distance) C4'-P energy: -5.241 bonds (distance) P-C4' energy: -5.279 flat angles C4'-P-C4' energy: -6.079 flat angles P-C4'-P energy: -4.225 tors. eta vs tors. theta energy: -2.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 54 Temperature: 1.150000 Total energy: -33.842763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.842763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.842763 (E_RNA) where: Base-Base interactions energy: -10.304 where: short stacking energy: -10.304 Base-Backbone interact. energy: -0.027 local terms energy: -23.511927 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.094 flat angles C4'-P-C4' energy: -5.059 flat angles P-C4'-P energy: -4.021 tors. eta vs tors. theta energy: -2.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 54 Temperature: 1.200000 Total energy: -34.274596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.274596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.274596 (E_RNA) where: Base-Base interactions energy: -14.262 where: short stacking energy: -14.262 Base-Backbone interact. energy: -0.000 local terms energy: -20.012915 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -6.417 flat angles C4'-P-C4' energy: -4.071 flat angles P-C4'-P energy: -2.597 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: 8, replica: 7 ===================================== Write number: 54 Temperature: 1.250000 Total energy: -37.150839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.150839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.150839 (E_RNA) where: Base-Base interactions energy: -11.702 where: short stacking energy: -11.702 Base-Backbone interact. energy: -0.006 local terms energy: -25.442997 where: bonds (distance) C4'-P energy: -5.021 bonds (distance) P-C4' energy: -5.899 flat angles C4'-P-C4' energy: -5.417 flat angles P-C4'-P energy: -4.296 tors. eta vs tors. theta energy: -4.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 54 Temperature: 1.300000 Total energy: -32.286984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.286984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.286984 (E_RNA) where: Base-Base interactions energy: -8.522 where: short stacking energy: -8.522 Base-Backbone interact. energy: -0.000 local terms energy: -23.764419 where: bonds (distance) C4'-P energy: -5.858 bonds (distance) P-C4' energy: -5.864 flat angles C4'-P-C4' energy: -3.629 flat angles P-C4'-P energy: -4.453 tors. eta vs tors. theta energy: -3.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 54 Temperature: 1.350000 Total energy: -33.110352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.110352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.110352 (E_RNA) where: Base-Base interactions energy: -11.107 where: short stacking energy: -11.107 Base-Backbone interact. energy: -0.000 local terms energy: -22.003478 where: bonds (distance) C4'-P energy: -4.123 bonds (distance) P-C4' energy: -6.177 flat angles C4'-P-C4' energy: -4.038 flat angles P-C4'-P energy: -4.219 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: 1, replica: 8 ===================================== Write number: 55 Temperature: 0.900000 Total energy: -42.427374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.427374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.427374 (E_RNA) where: Base-Base interactions energy: -17.317 where: short stacking energy: -17.317 Base-Backbone interact. energy: -0.022 local terms energy: -25.088536 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -5.594 flat angles C4'-P-C4' energy: -4.340 flat angles P-C4'-P energy: -4.012 tors. eta vs tors. theta energy: -5.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 55 Temperature: 0.950000 Total energy: -32.772761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.772761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.772761 (E_RNA) where: Base-Base interactions energy: -10.270 where: short stacking energy: -10.270 Base-Backbone interact. energy: -0.005 local terms energy: -22.498244 where: bonds (distance) C4'-P energy: -4.337 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -4.827 flat angles P-C4'-P energy: -4.116 tors. eta vs tors. theta energy: -2.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 55 Temperature: 1.000000 Total energy: -41.871566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.871566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.871566 (E_RNA) where: Base-Base interactions energy: -16.340 where: short stacking energy: -16.340 Base-Backbone interact. energy: -0.000 local terms energy: -25.531692 where: bonds (distance) C4'-P energy: -3.341 bonds (distance) P-C4' energy: -6.156 flat angles C4'-P-C4' energy: -5.499 flat angles P-C4'-P energy: -3.937 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: 4, replica: 4 ===================================== Write number: 55 Temperature: 1.050000 Total energy: -36.836668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.836668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.836668 (E_RNA) where: Base-Base interactions energy: -17.658 where: short stacking energy: -17.658 Base-Backbone interact. energy: -0.002 local terms energy: -19.176543 where: bonds (distance) C4'-P energy: -3.618 bonds (distance) P-C4' energy: -6.432 flat angles C4'-P-C4' energy: -2.544 flat angles P-C4'-P energy: -3.671 tors. eta vs tors. theta energy: -2.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 55 Temperature: 1.100000 Total energy: -34.119742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.119742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.119742 (E_RNA) where: Base-Base interactions energy: -13.283 where: short stacking energy: -13.283 Base-Backbone interact. energy: -0.006 local terms energy: -20.831103 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -4.542 flat angles C4'-P-C4' energy: -5.959 flat angles P-C4'-P energy: -3.825 tors. eta vs tors. theta energy: -0.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 55 Temperature: 1.150000 Total energy: -29.887463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.887463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.887463 (E_RNA) where: Base-Base interactions energy: -12.113 where: short stacking energy: -12.113 Base-Backbone interact. energy: -0.001 local terms energy: -17.773507 where: bonds (distance) C4'-P energy: -5.456 bonds (distance) P-C4' energy: -5.435 flat angles C4'-P-C4' energy: -4.524 flat angles P-C4'-P energy: -0.970 tors. eta vs tors. theta energy: -1.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 55 Temperature: 1.200000 Total energy: -34.559154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.559154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.559154 (E_RNA) where: Base-Base interactions energy: -11.321 where: short stacking energy: -11.321 Base-Backbone interact. energy: -0.000 local terms energy: -23.238280 where: bonds (distance) C4'-P energy: -4.839 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -5.268 flat angles P-C4'-P energy: -2.529 tors. eta vs tors. theta energy: -5.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 55 Temperature: 1.250000 Total energy: -31.037522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.037522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.037522 (E_RNA) where: Base-Base interactions energy: -8.598 where: short stacking energy: -8.598 Base-Backbone interact. energy: -0.000 local terms energy: -22.439094 where: bonds (distance) C4'-P energy: -5.348 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -5.483 flat angles P-C4'-P energy: -2.473 tors. eta vs tors. theta energy: -2.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 55 Temperature: 1.300000 Total energy: -29.121645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.121645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.121645 (E_RNA) where: Base-Base interactions energy: -8.956 where: short stacking energy: -8.956 Base-Backbone interact. energy: -0.034 local terms energy: -20.132007 where: bonds (distance) C4'-P energy: -5.600 bonds (distance) P-C4' energy: -6.438 flat angles C4'-P-C4' energy: -4.321 flat angles P-C4'-P energy: -1.966 tors. eta vs tors. theta energy: -1.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 55 Temperature: 1.350000 Total energy: -29.074943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.074943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.074943 (E_RNA) where: Base-Base interactions energy: -11.157 where: short stacking energy: -11.157 Base-Backbone interact. energy: 0.169 local terms energy: -18.086482 where: bonds (distance) C4'-P energy: -4.756 bonds (distance) P-C4' energy: -5.339 flat angles C4'-P-C4' energy: -3.604 flat angles P-C4'-P energy: -2.535 tors. eta vs tors. theta energy: -1.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 56 Temperature: 0.900000 Total energy: -39.459342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.459342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.459342 (E_RNA) where: Base-Base interactions energy: -13.489 where: short stacking energy: -13.489 Base-Backbone interact. energy: -0.000 local terms energy: -25.970097 where: bonds (distance) C4'-P energy: -3.006 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -5.990 flat angles P-C4'-P energy: -3.878 tors. eta vs tors. theta energy: -6.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 56 Temperature: 0.950000 Total energy: -38.543745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.543745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.543745 (E_RNA) where: Base-Base interactions energy: -14.315 where: short stacking energy: -14.315 Base-Backbone interact. energy: -0.000 local terms energy: -24.228499 where: bonds (distance) C4'-P energy: -4.135 bonds (distance) P-C4' energy: -6.389 flat angles C4'-P-C4' energy: -3.822 flat angles P-C4'-P energy: -4.424 tors. eta vs tors. theta energy: -5.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 56 Temperature: 1.000000 Total energy: -40.101120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.101120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.101120 (E_RNA) where: Base-Base interactions energy: -16.000 where: short stacking energy: -16.000 Base-Backbone interact. energy: -0.000 local terms energy: -24.100834 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -5.302 flat angles P-C4'-P energy: -0.903 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: 4, replica: 6 ===================================== Write number: 56 Temperature: 1.050000 Total energy: -37.296130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.296130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.296130 (E_RNA) where: Base-Base interactions energy: -12.276 where: short stacking energy: -12.276 Base-Backbone interact. energy: -0.084 local terms energy: -24.936482 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -5.889 flat angles P-C4'-P energy: -4.429 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: 5, replica: 9 ===================================== Write number: 56 Temperature: 1.100000 Total energy: -39.235279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.235279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.235279 (E_RNA) where: Base-Base interactions energy: -12.054 where: short stacking energy: -12.054 Base-Backbone interact. energy: -0.000 local terms energy: -27.181274 where: bonds (distance) C4'-P energy: -4.789 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -5.217 flat angles P-C4'-P energy: -4.172 tors. eta vs tors. theta energy: -6.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 56 Temperature: 1.150000 Total energy: -35.661583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.661583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.661583 (E_RNA) where: Base-Base interactions energy: -12.250 where: short stacking energy: -12.250 Base-Backbone interact. energy: -0.002 local terms energy: -23.409543 where: bonds (distance) C4'-P energy: -4.868 bonds (distance) P-C4' energy: -6.432 flat angles C4'-P-C4' energy: -4.999 flat angles P-C4'-P energy: -4.007 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: 7, replica: 2 ===================================== Write number: 56 Temperature: 1.200000 Total energy: -34.274246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.274246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.274246 (E_RNA) where: Base-Base interactions energy: -13.804 where: short stacking energy: -13.804 Base-Backbone interact. energy: -0.002 local terms energy: -20.468561 where: bonds (distance) C4'-P energy: -2.554 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.763 flat angles P-C4'-P energy: -3.054 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: 8, replica: 5 ===================================== Write number: 56 Temperature: 1.250000 Total energy: -29.352938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.352938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.352938 (E_RNA) where: Base-Base interactions energy: -9.001 where: short stacking energy: -9.001 Base-Backbone interact. energy: -0.006 local terms energy: -20.346635 where: bonds (distance) C4'-P energy: -5.766 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -4.451 flat angles P-C4'-P energy: -2.115 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: 9, replica: 10 ===================================== Write number: 56 Temperature: 1.300000 Total energy: -27.817434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.817434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.817434 (E_RNA) where: Base-Base interactions energy: -7.684 where: short stacking energy: -7.684 Base-Backbone interact. energy: -0.001 local terms energy: -20.131909 where: bonds (distance) C4'-P energy: -4.785 bonds (distance) P-C4' energy: -4.036 flat angles C4'-P-C4' energy: -5.685 flat angles P-C4'-P energy: -3.701 tors. eta vs tors. theta energy: -1.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 56 Temperature: 1.350000 Total energy: -28.901601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.901601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.901601 (E_RNA) where: Base-Base interactions energy: -13.575 where: short stacking energy: -13.575 Base-Backbone interact. energy: -0.002 local terms energy: -15.324571 where: bonds (distance) C4'-P energy: -5.071 bonds (distance) P-C4' energy: -5.494 flat angles C4'-P-C4' energy: -1.162 flat angles P-C4'-P energy: -1.176 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: 3 ===================================== Write number: 57 Temperature: 0.900000 Total energy: -42.994155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.994155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.994155 (E_RNA) where: Base-Base interactions energy: -16.456 where: short stacking energy: -16.456 Base-Backbone interact. energy: -0.002 local terms energy: -26.536185 where: bonds (distance) C4'-P energy: -5.225 bonds (distance) P-C4' energy: -6.153 flat angles C4'-P-C4' energy: -5.107 flat angles P-C4'-P energy: -5.309 tors. eta vs tors. theta energy: -4.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 57 Temperature: 0.950000 Total energy: -34.379394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.379394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.379394 (E_RNA) where: Base-Base interactions energy: -11.369 where: short stacking energy: -11.369 Base-Backbone interact. energy: -0.006 local terms energy: -23.004317 where: bonds (distance) C4'-P energy: -6.246 bonds (distance) P-C4' energy: -5.494 flat angles C4'-P-C4' energy: -5.778 flat angles P-C4'-P energy: -4.222 tors. eta vs tors. theta energy: -1.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 57 Temperature: 1.000000 Total energy: -39.571885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.571885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.571885 (E_RNA) where: Base-Base interactions energy: -14.895 where: short stacking energy: -14.895 Base-Backbone interact. energy: -0.101 local terms energy: -24.576064 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -5.463 flat angles P-C4'-P energy: -4.119 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: 6 ===================================== Write number: 57 Temperature: 1.050000 Total energy: -35.624868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.624868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.624868 (E_RNA) where: Base-Base interactions energy: -12.460 where: short stacking energy: -12.460 Base-Backbone interact. energy: -0.000 local terms energy: -23.164519 where: bonds (distance) C4'-P energy: -5.199 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -4.741 flat angles P-C4'-P energy: -5.086 tors. eta vs tors. theta energy: -1.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 57 Temperature: 1.100000 Total energy: -33.908849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.908849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.908849 (E_RNA) where: Base-Base interactions energy: -11.053 where: short stacking energy: -11.053 Base-Backbone interact. energy: -0.000 local terms energy: -22.855731 where: bonds (distance) C4'-P energy: -4.727 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -6.138 flat angles P-C4'-P energy: -3.583 tors. eta vs tors. theta energy: -2.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 57 Temperature: 1.150000 Total energy: -35.764689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.764689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.764689 (E_RNA) where: Base-Base interactions energy: -12.424 where: short stacking energy: -12.424 Base-Backbone interact. energy: -0.000 local terms energy: -23.341040 where: bonds (distance) C4'-P energy: -3.796 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.533 flat angles P-C4'-P energy: -3.308 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: 7, replica: 1 ===================================== Write number: 57 Temperature: 1.200000 Total energy: -30.324352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.324352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.324352 (E_RNA) where: Base-Base interactions energy: -9.269 where: short stacking energy: -9.269 Base-Backbone interact. energy: -0.000 local terms energy: -21.055312 where: bonds (distance) C4'-P energy: -5.365 bonds (distance) P-C4' energy: -5.441 flat angles C4'-P-C4' energy: -4.815 flat angles P-C4'-P energy: -4.077 tors. eta vs tors. theta energy: -1.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 57 Temperature: 1.250000 Total energy: -32.041845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.041845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.041845 (E_RNA) where: Base-Base interactions energy: -8.982 where: short stacking energy: -8.982 Base-Backbone interact. energy: -0.040 local terms energy: -23.019761 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -5.168 flat angles P-C4'-P energy: -4.360 tors. eta vs tors. theta energy: -0.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 57 Temperature: 1.300000 Total energy: -28.962340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.962340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.962340 (E_RNA) where: Base-Base interactions energy: -11.104 where: short stacking energy: -11.104 Base-Backbone interact. energy: -0.026 local terms energy: -17.832904 where: bonds (distance) C4'-P energy: -3.485 bonds (distance) P-C4' energy: -6.407 flat angles C4'-P-C4' energy: -4.413 flat angles P-C4'-P energy: -2.807 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: 10, replica: 7 ===================================== Write number: 57 Temperature: 1.350000 Total energy: -28.429127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.429127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.429127 (E_RNA) where: Base-Base interactions energy: -11.796 where: short stacking energy: -11.796 Base-Backbone interact. energy: -0.093 local terms energy: -16.540241 where: bonds (distance) C4'-P energy: -2.890 bonds (distance) P-C4' energy: -5.107 flat angles C4'-P-C4' energy: -3.776 flat angles P-C4'-P energy: -3.680 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: 4 ===================================== Write number: 58 Temperature: 0.900000 Total energy: -41.257754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.257754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.257754 (E_RNA) where: Base-Base interactions energy: -12.612 where: short stacking energy: -12.612 Base-Backbone interact. energy: -0.002 local terms energy: -28.644048 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -5.864 flat angles C4'-P-C4' energy: -6.538 flat angles P-C4'-P energy: -4.462 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: 3 ===================================== Write number: 58 Temperature: 0.950000 Total energy: -34.802131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.802131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.802131 (E_RNA) where: Base-Base interactions energy: -11.468 where: short stacking energy: -11.468 Base-Backbone interact. energy: -0.004 local terms energy: -23.329944 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -5.851 flat angles P-C4'-P energy: -4.107 tors. eta vs tors. theta energy: -1.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 58 Temperature: 1.000000 Total energy: -39.201628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.201628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.201628 (E_RNA) where: Base-Base interactions energy: -14.925 where: short stacking energy: -14.925 Base-Backbone interact. energy: -0.001 local terms energy: -24.275798 where: bonds (distance) C4'-P energy: -4.967 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -5.075 flat angles P-C4'-P energy: -5.203 tors. eta vs tors. theta energy: -2.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 58 Temperature: 1.050000 Total energy: -36.126766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.126766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.126766 (E_RNA) where: Base-Base interactions energy: -13.079 where: short stacking energy: -13.079 Base-Backbone interact. energy: -0.005 local terms energy: -23.042975 where: bonds (distance) C4'-P energy: -5.837 bonds (distance) P-C4' energy: -5.995 flat angles C4'-P-C4' energy: -5.651 flat angles P-C4'-P energy: -3.174 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: 5, replica: 2 ===================================== Write number: 58 Temperature: 1.100000 Total energy: -41.393572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.393572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.393572 (E_RNA) where: Base-Base interactions energy: -14.909 where: short stacking energy: -14.909 Base-Backbone interact. energy: -0.002 local terms energy: -26.482328 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.640 flat angles P-C4'-P energy: -5.220 tors. eta vs tors. theta energy: -3.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 58 Temperature: 1.150000 Total energy: -31.930003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.930003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.930003 (E_RNA) where: Base-Base interactions energy: -7.135 where: short stacking energy: -7.135 Base-Backbone interact. energy: -0.000 local terms energy: -24.795248 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -5.510 flat angles P-C4'-P energy: -3.589 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: 7, replica: 10 ===================================== Write number: 58 Temperature: 1.200000 Total energy: -33.387482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.387482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.387482 (E_RNA) where: Base-Base interactions energy: -10.826 where: short stacking energy: -10.826 Base-Backbone interact. energy: -0.002 local terms energy: -22.560038 where: bonds (distance) C4'-P energy: -5.199 bonds (distance) P-C4' energy: -6.615 flat angles C4'-P-C4' energy: -5.993 flat angles P-C4'-P energy: -3.107 tors. eta vs tors. theta energy: -1.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 58 Temperature: 1.250000 Total energy: -30.904464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.904464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.904464 (E_RNA) where: Base-Base interactions energy: -11.456 where: short stacking energy: -11.456 Base-Backbone interact. energy: 0.469 local terms energy: -19.917665 where: bonds (distance) C4'-P energy: -5.580 bonds (distance) P-C4' energy: -3.226 flat angles C4'-P-C4' energy: -6.116 flat angles P-C4'-P energy: -5.468 tors. eta vs tors. theta energy: 0.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 58 Temperature: 1.300000 Total energy: -26.935838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.935838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.935838 (E_RNA) where: Base-Base interactions energy: -7.339 where: short stacking energy: -7.339 Base-Backbone interact. energy: -0.179 local terms energy: -19.418206 where: bonds (distance) C4'-P energy: -5.091 bonds (distance) P-C4' energy: -5.530 flat angles C4'-P-C4' energy: -5.060 flat angles P-C4'-P energy: -2.898 tors. eta vs tors. theta energy: -0.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 58 Temperature: 1.350000 Total energy: -30.683159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.683159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.683159 (E_RNA) where: Base-Base interactions energy: -13.079 where: short stacking energy: -13.079 Base-Backbone interact. energy: -0.000 local terms energy: -17.603276 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -2.408 flat angles C4'-P-C4' energy: -5.153 flat angles P-C4'-P energy: -4.042 tors. eta vs tors. theta energy: -0.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 59 Temperature: 0.900000 Total energy: -41.397335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.397335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.397335 (E_RNA) where: Base-Base interactions energy: -13.181 where: short stacking energy: -13.181 Base-Backbone interact. energy: -2.206 local terms energy: -26.009697 where: bonds (distance) C4'-P energy: -5.750 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.444 flat angles P-C4'-P energy: -5.382 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: 2, replica: 6 ===================================== Write number: 59 Temperature: 0.950000 Total energy: -37.955270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.955270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.955270 (E_RNA) where: Base-Base interactions energy: -12.238 where: short stacking energy: -12.394 Base-Backbone interact. energy: -0.043 local terms energy: -25.674781 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -5.935 flat angles P-C4'-P energy: -5.277 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: 3 ===================================== Write number: 59 Temperature: 1.000000 Total energy: -42.464922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.464922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.464922 (E_RNA) where: Base-Base interactions energy: -17.874 where: short stacking energy: -17.874 Base-Backbone interact. energy: -0.000 local terms energy: -24.591210 where: bonds (distance) C4'-P energy: -5.013 bonds (distance) P-C4' energy: -5.935 flat angles C4'-P-C4' energy: -5.466 flat angles P-C4'-P energy: -3.180 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: 4, replica: 2 ===================================== Write number: 59 Temperature: 1.050000 Total energy: -39.430114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.430114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.430114 (E_RNA) where: Base-Base interactions energy: -14.953 where: short stacking energy: -14.953 Base-Backbone interact. energy: -0.002 local terms energy: -24.474795 where: bonds (distance) C4'-P energy: -5.411 bonds (distance) P-C4' energy: -5.938 flat angles C4'-P-C4' energy: -5.961 flat angles P-C4'-P energy: -2.626 tors. eta vs tors. theta energy: -4.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 59 Temperature: 1.100000 Total energy: -36.302483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.302483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.302483 (E_RNA) where: Base-Base interactions energy: -13.317 where: short stacking energy: -13.317 Base-Backbone interact. energy: -0.000 local terms energy: -22.985581 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -5.327 flat angles C4'-P-C4' energy: -5.533 flat angles P-C4'-P energy: -3.489 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: 6, replica: 10 ===================================== Write number: 59 Temperature: 1.150000 Total energy: -32.090690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.090690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.090690 (E_RNA) where: Base-Base interactions energy: -9.437 where: short stacking energy: -9.437 Base-Backbone interact. energy: -0.000 local terms energy: -22.653903 where: bonds (distance) C4'-P energy: -4.727 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -3.986 flat angles P-C4'-P energy: -4.040 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: 7, replica: 9 ===================================== Write number: 59 Temperature: 1.200000 Total energy: -30.387564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.387564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.387564 (E_RNA) where: Base-Base interactions energy: -5.563 where: short stacking energy: -5.563 Base-Backbone interact. energy: -0.001 local terms energy: -24.823473 where: bonds (distance) C4'-P energy: -4.863 bonds (distance) P-C4' energy: -7.144 flat angles C4'-P-C4' energy: -6.260 flat angles P-C4'-P energy: -3.702 tors. eta vs tors. theta energy: -2.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 59 Temperature: 1.250000 Total energy: -29.309598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.309598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.309598 (E_RNA) where: Base-Base interactions energy: -8.355 where: short stacking energy: -8.355 Base-Backbone interact. energy: -0.076 local terms energy: -20.878083 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -3.948 flat angles C4'-P-C4' energy: -5.713 flat angles P-C4'-P energy: -5.218 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: 59 Temperature: 1.300000 Total energy: -31.067952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.067952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.067952 (E_RNA) where: Base-Base interactions energy: -14.207 where: short stacking energy: -14.207 Base-Backbone interact. energy: -0.005 local terms energy: -16.856312 where: bonds (distance) C4'-P energy: -3.734 bonds (distance) P-C4' energy: -6.438 flat angles C4'-P-C4' energy: -4.905 flat angles P-C4'-P energy: -0.679 tors. eta vs tors. theta energy: -1.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 59 Temperature: 1.350000 Total energy: -27.187062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.187062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.187062 (E_RNA) where: Base-Base interactions energy: -8.787 where: short stacking energy: -8.787 Base-Backbone interact. energy: -0.077 local terms energy: -18.323209 where: bonds (distance) C4'-P energy: -3.949 bonds (distance) P-C4' energy: -6.174 flat angles C4'-P-C4' energy: -5.622 flat angles P-C4'-P energy: -1.130 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: 1, replica: 6 ===================================== Write number: 60 Temperature: 0.900000 Total energy: -42.392621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.392621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.392621 (E_RNA) where: Base-Base interactions energy: -17.428 where: short stacking energy: -17.428 Base-Backbone interact. energy: -1.017 local terms energy: -23.947517 where: bonds (distance) C4'-P energy: -5.013 bonds (distance) P-C4' energy: -7.130 flat angles C4'-P-C4' energy: -5.234 flat angles P-C4'-P energy: -2.745 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: 2, replica: 4 ===================================== Write number: 60 Temperature: 0.950000 Total energy: -38.676543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.676543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.676543 (E_RNA) where: Base-Base interactions energy: -18.962 where: short stacking energy: -18.962 Base-Backbone interact. energy: -0.002 local terms energy: -19.712531 where: bonds (distance) C4'-P energy: -5.535 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -2.809 flat angles P-C4'-P energy: -0.024 tors. eta vs tors. theta energy: -5.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 60 Temperature: 1.000000 Total energy: -37.888316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.888316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.888316 (E_RNA) where: Base-Base interactions energy: -15.215 where: short stacking energy: -15.215 Base-Backbone interact. energy: -0.100 local terms energy: -22.573420 where: bonds (distance) C4'-P energy: -5.882 bonds (distance) P-C4' energy: -5.597 flat angles C4'-P-C4' energy: -5.228 flat angles P-C4'-P energy: -3.326 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: 4, replica: 3 ===================================== Write number: 60 Temperature: 1.050000 Total energy: -37.956464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.956464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.956464 (E_RNA) where: Base-Base interactions energy: -12.587 where: short stacking energy: -12.587 Base-Backbone interact. energy: -0.000 local terms energy: -25.369153 where: bonds (distance) C4'-P energy: -6.160 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -5.725 flat angles P-C4'-P energy: -4.013 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: 5, replica: 10 ===================================== Write number: 60 Temperature: 1.100000 Total energy: -34.789141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.789141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.789141 (E_RNA) where: Base-Base interactions energy: -10.911 where: short stacking energy: -10.911 Base-Backbone interact. energy: -0.001 local terms energy: -23.877094 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -5.594 flat angles C4'-P-C4' energy: -5.593 flat angles P-C4'-P energy: -4.360 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: 8 ===================================== Write number: 60 Temperature: 1.150000 Total energy: -32.120808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.120808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.120808 (E_RNA) where: Base-Base interactions energy: -10.006 where: short stacking energy: -10.006 Base-Backbone interact. energy: -0.006 local terms energy: -22.108775 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -2.723 flat angles P-C4'-P energy: -3.316 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: 7, replica: 7 ===================================== Write number: 60 Temperature: 1.200000 Total energy: -30.114442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.114442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.114442 (E_RNA) where: Base-Base interactions energy: -9.054 where: short stacking energy: -9.054 Base-Backbone interact. energy: -0.065 local terms energy: -20.995207 where: bonds (distance) C4'-P energy: -6.246 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -4.341 flat angles P-C4'-P energy: -3.114 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: 8, replica: 9 ===================================== Write number: 60 Temperature: 1.250000 Total energy: -29.385556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.385556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.385556 (E_RNA) where: Base-Base interactions energy: -10.040 where: short stacking energy: -10.040 Base-Backbone interact. energy: -0.000 local terms energy: -19.345335 where: bonds (distance) C4'-P energy: -5.775 bonds (distance) P-C4' energy: -4.923 flat angles C4'-P-C4' energy: -3.689 flat angles P-C4'-P energy: -4.587 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: 9, replica: 1 ===================================== Write number: 60 Temperature: 1.300000 Total energy: -31.475164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.475164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.475164 (E_RNA) where: Base-Base interactions energy: -9.274 where: short stacking energy: -9.274 Base-Backbone interact. energy: -0.153 local terms energy: -22.047714 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -4.294 flat angles P-C4'-P energy: -4.539 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: 10, replica: 5 ===================================== Write number: 60 Temperature: 1.350000 Total energy: -28.867519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.867519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.867519 (E_RNA) where: Base-Base interactions energy: -7.725 where: short stacking energy: -7.725 Base-Backbone interact. energy: -0.043 local terms energy: -21.100094 where: bonds (distance) C4'-P energy: -4.276 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.523 flat angles P-C4'-P energy: -3.785 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: 6 ===================================== Write number: 61 Temperature: 0.900000 Total energy: -37.022061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.022061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.022061 (E_RNA) where: Base-Base interactions energy: -14.566 where: short stacking energy: -14.566 Base-Backbone interact. energy: -0.096 local terms energy: -22.360095 where: bonds (distance) C4'-P energy: -5.100 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -4.226 flat angles P-C4'-P energy: -3.944 tors. eta vs tors. theta energy: -2.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 61 Temperature: 0.950000 Total energy: -38.920887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.920887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.920887 (E_RNA) where: Base-Base interactions energy: -15.321 where: short stacking energy: -15.321 Base-Backbone interact. energy: -0.000 local terms energy: -23.599887 where: bonds (distance) C4'-P energy: -4.214 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -6.564 flat angles P-C4'-P energy: -4.272 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: 3, replica: 2 ===================================== Write number: 61 Temperature: 1.000000 Total energy: -38.457950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.457950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.457950 (E_RNA) where: Base-Base interactions energy: -13.874 where: short stacking energy: -13.874 Base-Backbone interact. energy: -0.000 local terms energy: -24.583871 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -5.934 flat angles P-C4'-P energy: -2.672 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: 10 ===================================== Write number: 61 Temperature: 1.050000 Total energy: -36.592092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.592092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.592092 (E_RNA) where: Base-Base interactions energy: -13.750 where: short stacking energy: -13.750 Base-Backbone interact. energy: -0.008 local terms energy: -22.834512 where: bonds (distance) C4'-P energy: -5.484 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -5.650 flat angles P-C4'-P energy: -3.116 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: 3 ===================================== Write number: 61 Temperature: 1.100000 Total energy: -33.599052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.599052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.599052 (E_RNA) where: Base-Base interactions energy: -13.777 where: short stacking energy: -13.777 Base-Backbone interact. energy: -0.011 local terms energy: -19.811559 where: bonds (distance) C4'-P energy: -3.374 bonds (distance) P-C4' energy: -5.864 flat angles C4'-P-C4' energy: -5.160 flat angles P-C4'-P energy: -4.210 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: 6, replica: 7 ===================================== Write number: 61 Temperature: 1.150000 Total energy: -33.415467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.415467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.415467 (E_RNA) where: Base-Base interactions energy: -11.961 where: short stacking energy: -11.961 Base-Backbone interact. energy: -0.000 local terms energy: -21.454026 where: bonds (distance) C4'-P energy: -4.230 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -5.322 flat angles P-C4'-P energy: -2.323 tors. eta vs tors. theta energy: -2.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 61 Temperature: 1.200000 Total energy: -33.218353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.218353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.218353 (E_RNA) where: Base-Base interactions energy: -13.903 where: short stacking energy: -13.903 Base-Backbone interact. energy: -0.001 local terms energy: -19.314745 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -1.018 flat angles P-C4'-P energy: -4.494 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: 8, replica: 1 ===================================== Write number: 61 Temperature: 1.250000 Total energy: -31.418896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.418896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.418896 (E_RNA) where: Base-Base interactions energy: -12.135 where: short stacking energy: -12.135 Base-Backbone interact. energy: -0.118 local terms energy: -19.165764 where: bonds (distance) C4'-P energy: -5.163 bonds (distance) P-C4' energy: -2.773 flat angles C4'-P-C4' energy: -5.496 flat angles P-C4'-P energy: -2.204 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: 9, replica: 9 ===================================== Write number: 61 Temperature: 1.300000 Total energy: -30.634857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.634857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.634857 (E_RNA) where: Base-Base interactions energy: -11.284 where: short stacking energy: -11.284 Base-Backbone interact. energy: -0.002 local terms energy: -19.348780 where: bonds (distance) C4'-P energy: -3.315 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -5.325 flat angles P-C4'-P energy: -3.049 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: 10, replica: 5 ===================================== Write number: 61 Temperature: 1.350000 Total energy: -27.498857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.498857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.498857 (E_RNA) where: Base-Base interactions energy: -5.634 where: short stacking energy: -5.634 Base-Backbone interact. energy: -0.004 local terms energy: -21.860579 where: bonds (distance) C4'-P energy: -6.453 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -4.616 flat angles P-C4'-P energy: -4.393 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: 1, replica: 4 ===================================== Write number: 62 Temperature: 0.900000 Total energy: -39.066106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.066106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.066106 (E_RNA) where: Base-Base interactions energy: -12.982 where: short stacking energy: -12.982 Base-Backbone interact. energy: -0.017 local terms energy: -26.066472 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -5.888 flat angles P-C4'-P energy: -4.629 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: 2, replica: 6 ===================================== Write number: 62 Temperature: 0.950000 Total energy: -35.467313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.467313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.467313 (E_RNA) where: Base-Base interactions energy: -12.844 where: short stacking energy: -12.844 Base-Backbone interact. energy: -0.000 local terms energy: -22.623552 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -6.453 flat angles P-C4'-P energy: -1.538 tors. eta vs tors. theta energy: -2.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 62 Temperature: 1.000000 Total energy: -32.870076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.870076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.870076 (E_RNA) where: Base-Base interactions energy: -9.496 where: short stacking energy: -9.596 Base-Backbone interact. energy: -0.071 local terms energy: -23.302452 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -5.604 flat angles C4'-P-C4' energy: -5.869 flat angles P-C4'-P energy: -4.005 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: 2 ===================================== Write number: 62 Temperature: 1.050000 Total energy: -38.738345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.738345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.738345 (E_RNA) where: Base-Base interactions energy: -15.306 where: short stacking energy: -15.306 Base-Backbone interact. energy: -0.004 local terms energy: -23.428620 where: bonds (distance) C4'-P energy: -5.348 bonds (distance) P-C4' energy: -6.653 flat angles C4'-P-C4' energy: -4.327 flat angles P-C4'-P energy: -3.856 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: 7 ===================================== Write number: 62 Temperature: 1.100000 Total energy: -35.518164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.518164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.518164 (E_RNA) where: Base-Base interactions energy: -14.009 where: short stacking energy: -14.009 Base-Backbone interact. energy: -0.145 local terms energy: -21.364280 where: bonds (distance) C4'-P energy: -5.982 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -4.617 flat angles P-C4'-P energy: -3.418 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: 6, replica: 3 ===================================== Write number: 62 Temperature: 1.150000 Total energy: -34.982618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.982618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.982618 (E_RNA) where: Base-Base interactions energy: -13.017 where: short stacking energy: -13.017 Base-Backbone interact. energy: -0.075 local terms energy: -21.890789 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -5.956 flat angles C4'-P-C4' energy: -4.669 flat angles P-C4'-P energy: -4.291 tors. eta vs tors. theta energy: -1.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 62 Temperature: 1.200000 Total energy: -37.555030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.555030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.555030 (E_RNA) where: Base-Base interactions energy: -13.547 where: short stacking energy: -13.547 Base-Backbone interact. energy: -0.001 local terms energy: -24.007817 where: bonds (distance) C4'-P energy: -6.462 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -4.711 flat angles P-C4'-P energy: -2.688 tors. eta vs tors. theta energy: -3.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 62 Temperature: 1.250000 Total energy: -28.420420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.420420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.420420 (E_RNA) where: Base-Base interactions energy: -12.037 where: short stacking energy: -12.037 Base-Backbone interact. energy: -0.042 local terms energy: -16.341128 where: bonds (distance) C4'-P energy: -5.145 bonds (distance) P-C4' energy: -5.723 flat angles C4'-P-C4' energy: -1.409 flat angles P-C4'-P energy: -1.549 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: 9 ===================================== Write number: 62 Temperature: 1.300000 Total energy: -29.727738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.727738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.727738 (E_RNA) where: Base-Base interactions energy: -9.501 where: short stacking energy: -9.501 Base-Backbone interact. energy: -0.001 local terms energy: -20.225288 where: bonds (distance) C4'-P energy: -4.152 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -2.944 flat angles P-C4'-P energy: -3.851 tors. eta vs tors. theta energy: -2.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 62 Temperature: 1.350000 Total energy: -31.472488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.472488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.472488 (E_RNA) where: Base-Base interactions energy: -12.291 where: short stacking energy: -12.291 Base-Backbone interact. energy: -0.000 local terms energy: -19.180962 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -4.963 flat angles C4'-P-C4' energy: -4.947 flat angles P-C4'-P energy: -2.518 tors. eta vs tors. theta energy: -0.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 63 Temperature: 0.900000 Total energy: -42.200753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.200753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.200753 (E_RNA) where: Base-Base interactions energy: -15.415 where: short stacking energy: -15.415 Base-Backbone interact. energy: -0.000 local terms energy: -26.785792 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -5.641 flat angles P-C4'-P energy: -4.688 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: 2, replica: 10 ===================================== Write number: 63 Temperature: 0.950000 Total energy: -43.292775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.292775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.292775 (E_RNA) where: Base-Base interactions energy: -15.825 where: short stacking energy: -15.825 Base-Backbone interact. energy: -0.000 local terms energy: -27.467736 where: bonds (distance) C4'-P energy: -5.099 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.638 flat angles P-C4'-P energy: -4.248 tors. eta vs tors. theta energy: -5.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 63 Temperature: 1.000000 Total energy: -41.172230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.172230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.172230 (E_RNA) where: Base-Base interactions energy: -14.875 where: short stacking energy: -14.875 Base-Backbone interact. energy: -0.009 local terms energy: -26.287722 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -6.471 flat angles P-C4'-P energy: -3.734 tors. eta vs tors. theta energy: -3.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 63 Temperature: 1.050000 Total energy: -38.339969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.339969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.339969 (E_RNA) where: Base-Base interactions energy: -13.600 where: short stacking energy: -13.600 Base-Backbone interact. energy: -0.000 local terms energy: -24.739723 where: bonds (distance) C4'-P energy: -4.615 bonds (distance) P-C4' energy: -5.563 flat angles C4'-P-C4' energy: -5.955 flat angles P-C4'-P energy: -4.807 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: 5, replica: 2 ===================================== Write number: 63 Temperature: 1.100000 Total energy: -35.636177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.636177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.636177 (E_RNA) where: Base-Base interactions energy: -13.131 where: short stacking energy: -13.131 Base-Backbone interact. energy: -0.187 local terms energy: -22.318530 where: bonds (distance) C4'-P energy: -5.473 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -6.166 flat angles P-C4'-P energy: -2.275 tors. eta vs tors. theta energy: -1.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 63 Temperature: 1.150000 Total energy: -34.811404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.811404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.811404 (E_RNA) where: Base-Base interactions energy: -11.235 where: short stacking energy: -11.235 Base-Backbone interact. energy: -0.034 local terms energy: -23.542504 where: bonds (distance) C4'-P energy: -5.484 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -5.444 flat angles P-C4'-P energy: -4.587 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: 7, replica: 3 ===================================== Write number: 63 Temperature: 1.200000 Total energy: -33.009123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.009123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.009123 (E_RNA) where: Base-Base interactions energy: -11.421 where: short stacking energy: -11.421 Base-Backbone interact. energy: -0.044 local terms energy: -21.544655 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -4.892 flat angles C4'-P-C4' energy: -2.308 flat angles P-C4'-P energy: -5.573 tors. eta vs tors. theta energy: -2.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 63 Temperature: 1.250000 Total energy: -31.015217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.015217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.015217 (E_RNA) where: Base-Base interactions energy: -8.899 where: short stacking energy: -8.986 Base-Backbone interact. energy: -0.013 local terms energy: -22.103197 where: bonds (distance) C4'-P energy: -2.740 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -6.395 flat angles P-C4'-P energy: -4.903 tors. eta vs tors. theta energy: -1.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 63 Temperature: 1.300000 Total energy: -27.571546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.571546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.571546 (E_RNA) where: Base-Base interactions energy: -5.035 where: short stacking energy: -5.035 Base-Backbone interact. energy: -0.073 local terms energy: -22.463373 where: bonds (distance) C4'-P energy: -6.453 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -4.322 flat angles P-C4'-P energy: -4.579 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: 10, replica: 5 ===================================== Write number: 63 Temperature: 1.350000 Total energy: -30.540915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.540915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.540915 (E_RNA) where: Base-Base interactions energy: -8.899 where: short stacking energy: -8.899 Base-Backbone interact. energy: -0.086 local terms energy: -21.556730 where: bonds (distance) C4'-P energy: -2.455 bonds (distance) P-C4' energy: -5.723 flat angles C4'-P-C4' energy: -5.675 flat angles P-C4'-P energy: -4.170 tors. eta vs tors. theta energy: -3.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 64 Temperature: 0.900000 Total energy: -39.868473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.868473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.868473 (E_RNA) where: Base-Base interactions energy: -12.147 where: short stacking energy: -12.147 Base-Backbone interact. energy: -0.010 local terms energy: -27.710568 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -5.708 flat angles P-C4'-P energy: -3.723 tors. eta vs tors. theta energy: -5.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 64 Temperature: 0.950000 Total energy: -40.187416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.187416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.187416 (E_RNA) where: Base-Base interactions energy: -14.026 where: short stacking energy: -14.026 Base-Backbone interact. energy: -0.094 local terms energy: -26.067483 where: bonds (distance) C4'-P energy: -4.859 bonds (distance) P-C4' energy: -6.407 flat angles C4'-P-C4' energy: -6.446 flat angles P-C4'-P energy: -4.834 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: 3, replica: 7 ===================================== Write number: 64 Temperature: 1.000000 Total energy: -35.750242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.750242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.750242 (E_RNA) where: Base-Base interactions energy: -13.791 where: short stacking energy: -13.791 Base-Backbone interact. energy: -0.000 local terms energy: -21.959309 where: bonds (distance) C4'-P energy: -5.021 bonds (distance) P-C4' energy: -4.536 flat angles C4'-P-C4' energy: -5.886 flat angles P-C4'-P energy: -2.830 tors. eta vs tors. theta energy: -3.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 64 Temperature: 1.050000 Total energy: -36.419661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.419661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.419661 (E_RNA) where: Base-Base interactions energy: -13.117 where: short stacking energy: -13.117 Base-Backbone interact. energy: -0.047 local terms energy: -23.255307 where: bonds (distance) C4'-P energy: -5.659 bonds (distance) P-C4' energy: -4.389 flat angles C4'-P-C4' energy: -6.455 flat angles P-C4'-P energy: -3.686 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: 5, replica: 1 ===================================== Write number: 64 Temperature: 1.100000 Total energy: -36.100998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.100998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.100998 (E_RNA) where: Base-Base interactions energy: -15.558 where: short stacking energy: -15.558 Base-Backbone interact. energy: -0.000 local terms energy: -20.542684 where: bonds (distance) C4'-P energy: -5.286 bonds (distance) P-C4' energy: -7.130 flat angles C4'-P-C4' energy: -5.038 flat angles P-C4'-P energy: 1.493 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: 6, replica: 2 ===================================== Write number: 64 Temperature: 1.150000 Total energy: -34.109552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.109552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.109552 (E_RNA) where: Base-Base interactions energy: -11.632 where: short stacking energy: -11.632 Base-Backbone interact. energy: -1.917 local terms energy: -20.560584 where: bonds (distance) C4'-P energy: -4.496 bonds (distance) P-C4' energy: -5.730 flat angles C4'-P-C4' energy: -4.985 flat angles P-C4'-P energy: -2.802 tors. eta vs tors. theta energy: -2.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 64 Temperature: 1.200000 Total energy: -32.562276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.562276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.562276 (E_RNA) where: Base-Base interactions energy: -13.234 where: short stacking energy: -8.913 Base-Backbone interact. energy: -0.000 local terms energy: -19.328241 where: bonds (distance) C4'-P energy: -3.593 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -4.775 flat angles P-C4'-P energy: -3.435 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: 8, replica: 3 ===================================== Write number: 64 Temperature: 1.250000 Total energy: -31.046880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.046880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.046880 (E_RNA) where: Base-Base interactions energy: -12.745 where: short stacking energy: -12.745 Base-Backbone interact. energy: -0.041 local terms energy: -18.260953 where: bonds (distance) C4'-P energy: -2.492 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -5.446 flat angles P-C4'-P energy: -2.347 tors. eta vs tors. theta energy: -0.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 64 Temperature: 1.300000 Total energy: -31.917072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.917072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.917072 (E_RNA) where: Base-Base interactions energy: -10.946 where: short stacking energy: -10.946 Base-Backbone interact. energy: -0.002 local terms energy: -20.968565 where: bonds (distance) C4'-P energy: -5.368 bonds (distance) P-C4' energy: -5.956 flat angles C4'-P-C4' energy: -5.255 flat angles P-C4'-P energy: -2.653 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: 10, replica: 8 ===================================== Write number: 64 Temperature: 1.350000 Total energy: -29.763162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.763162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.763162 (E_RNA) where: Base-Base interactions energy: -9.215 where: short stacking energy: -9.215 Base-Backbone interact. energy: -0.225 local terms energy: -20.323266 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -3.727 flat angles P-C4'-P energy: -4.488 tors. eta vs tors. theta energy: 0.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 65 Temperature: 0.900000 Total energy: -37.949351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.949351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.949351 (E_RNA) where: Base-Base interactions energy: -13.859 where: short stacking energy: -13.859 Base-Backbone interact. energy: -0.000 local terms energy: -24.090380 where: bonds (distance) C4'-P energy: -5.600 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -5.228 flat angles P-C4'-P energy: -3.787 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: 2, replica: 7 ===================================== Write number: 65 Temperature: 0.950000 Total energy: -40.090735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.090735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.090735 (E_RNA) where: Base-Base interactions energy: -14.323 where: short stacking energy: -14.323 Base-Backbone interact. energy: -0.016 local terms energy: -25.751968 where: bonds (distance) C4'-P energy: -5.766 bonds (distance) P-C4' energy: -6.181 flat angles C4'-P-C4' energy: -6.303 flat angles P-C4'-P energy: -4.525 tors. eta vs tors. theta energy: -2.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 65 Temperature: 1.000000 Total energy: -39.266593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.266593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.266593 (E_RNA) where: Base-Base interactions energy: -14.962 where: short stacking energy: -14.962 Base-Backbone interact. energy: -0.001 local terms energy: -24.302952 where: bonds (distance) C4'-P energy: -5.348 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -3.709 flat angles P-C4'-P energy: -4.571 tors. eta vs tors. theta energy: -4.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 65 Temperature: 1.050000 Total energy: -38.478797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.478797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.478797 (E_RNA) where: Base-Base interactions energy: -16.322 where: short stacking energy: -16.322 Base-Backbone interact. energy: 0.828 local terms energy: -22.984381 where: bonds (distance) C4'-P energy: -5.225 bonds (distance) P-C4' energy: -7.130 flat angles C4'-P-C4' energy: -4.799 flat angles P-C4'-P energy: -3.415 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: 5, replica: 6 ===================================== Write number: 65 Temperature: 1.100000 Total energy: -33.492939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.492939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.492939 (E_RNA) where: Base-Base interactions energy: -12.059 where: short stacking energy: -12.059 Base-Backbone interact. energy: -0.019 local terms energy: -21.415072 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -3.723 flat angles P-C4'-P energy: -4.289 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: 6, replica: 9 ===================================== Write number: 65 Temperature: 1.150000 Total energy: -30.092321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.092321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.092321 (E_RNA) where: Base-Base interactions energy: -9.603 where: short stacking energy: -9.502 Base-Backbone interact. energy: -0.062 local terms energy: -20.427625 where: bonds (distance) C4'-P energy: -5.207 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -3.134 flat angles P-C4'-P energy: -3.226 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: 7, replica: 2 ===================================== Write number: 65 Temperature: 1.200000 Total energy: -33.930136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.930136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.930136 (E_RNA) where: Base-Base interactions energy: -12.934 where: short stacking energy: -12.934 Base-Backbone interact. energy: -0.000 local terms energy: -20.995893 where: bonds (distance) C4'-P energy: -6.006 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -4.313 flat angles P-C4'-P energy: -3.760 tors. eta vs tors. theta energy: -0.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 65 Temperature: 1.250000 Total energy: -32.886422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.886422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.886422 (E_RNA) where: Base-Base interactions energy: -9.766 where: short stacking energy: -9.766 Base-Backbone interact. energy: -0.017 local terms energy: -23.102763 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -6.571 flat angles P-C4'-P energy: -3.191 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: 3 ===================================== Write number: 65 Temperature: 1.300000 Total energy: -27.444060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.444060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.444060 (E_RNA) where: Base-Base interactions energy: -6.015 where: short stacking energy: -6.015 Base-Backbone interact. energy: -0.060 local terms energy: -21.368776 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -5.677 flat angles P-C4'-P energy: -3.386 tors. eta vs tors. theta energy: -0.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 65 Temperature: 1.350000 Total energy: -30.360146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.360146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.360146 (E_RNA) where: Base-Base interactions energy: -8.353 where: short stacking energy: -8.353 Base-Backbone interact. energy: -0.001 local terms energy: -22.005823 where: bonds (distance) C4'-P energy: -5.013 bonds (distance) P-C4' energy: -5.420 flat angles C4'-P-C4' energy: -6.155 flat angles P-C4'-P energy: -2.856 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: 1, replica: 7 ===================================== Write number: 66 Temperature: 0.900000 Total energy: -42.545622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.545622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.545622 (E_RNA) where: Base-Base interactions energy: -16.431 where: short stacking energy: -16.431 Base-Backbone interact. energy: -0.004 local terms energy: -26.110305 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -5.892 flat angles C4'-P-C4' energy: -6.079 flat angles P-C4'-P energy: -3.701 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: 2, replica: 10 ===================================== Write number: 66 Temperature: 0.950000 Total energy: -40.422666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.422666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.422666 (E_RNA) where: Base-Base interactions energy: -12.679 where: short stacking energy: -12.679 Base-Backbone interact. energy: -0.000 local terms energy: -27.743322 where: bonds (distance) C4'-P energy: -4.140 bonds (distance) P-C4' energy: -6.432 flat angles C4'-P-C4' energy: -5.700 flat angles P-C4'-P energy: -4.547 tors. eta vs tors. theta energy: -6.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 66 Temperature: 1.000000 Total energy: -39.544926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.544926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.544926 (E_RNA) where: Base-Base interactions energy: -13.821 where: short stacking energy: -13.821 Base-Backbone interact. energy: -0.000 local terms energy: -25.724043 where: bonds (distance) C4'-P energy: -3.547 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -5.889 flat angles P-C4'-P energy: -5.047 tors. eta vs tors. theta energy: -5.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 66 Temperature: 1.050000 Total energy: -35.882494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.882494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.882494 (E_RNA) where: Base-Base interactions energy: -17.906 where: short stacking energy: -17.906 Base-Backbone interact. energy: -0.006 local terms energy: -17.971387 where: bonds (distance) C4'-P energy: -3.419 bonds (distance) P-C4' energy: -3.109 flat angles C4'-P-C4' energy: -5.407 flat angles P-C4'-P energy: -4.018 tors. eta vs tors. theta energy: -2.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 66 Temperature: 1.100000 Total energy: -29.623111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.623111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.623111 (E_RNA) where: Base-Base interactions energy: -9.860 where: short stacking energy: -9.860 Base-Backbone interact. energy: -0.099 local terms energy: -19.663990 where: bonds (distance) C4'-P energy: -4.719 bonds (distance) P-C4' energy: -5.843 flat angles C4'-P-C4' energy: -5.377 flat angles P-C4'-P energy: -2.143 tors. eta vs tors. theta energy: -1.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 66 Temperature: 1.150000 Total energy: -32.443831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.443831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.443831 (E_RNA) where: Base-Base interactions energy: -12.525 where: short stacking energy: -12.525 Base-Backbone interact. energy: -0.000 local terms energy: -19.919135 where: bonds (distance) C4'-P energy: -4.532 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -5.237 flat angles P-C4'-P energy: -2.401 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: 7, replica: 5 ===================================== Write number: 66 Temperature: 1.200000 Total energy: -37.389558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.389558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.389558 (E_RNA) where: Base-Base interactions energy: -17.561 where: short stacking energy: -17.561 Base-Backbone interact. energy: -0.002 local terms energy: -19.826213 where: bonds (distance) C4'-P energy: -4.052 bonds (distance) P-C4' energy: -4.991 flat angles C4'-P-C4' energy: -5.624 flat angles P-C4'-P energy: -2.943 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: 8, replica: 2 ===================================== Write number: 66 Temperature: 1.250000 Total energy: -33.136060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.136060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.136060 (E_RNA) where: Base-Base interactions energy: -10.356 where: short stacking energy: -10.356 Base-Backbone interact. energy: -0.023 local terms energy: -22.757167 where: bonds (distance) C4'-P energy: -4.143 bonds (distance) P-C4' energy: -6.886 flat angles C4'-P-C4' energy: -5.761 flat angles P-C4'-P energy: -3.932 tors. eta vs tors. theta energy: -2.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 66 Temperature: 1.300000 Total energy: -31.963154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.963154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.963154 (E_RNA) where: Base-Base interactions energy: -10.530 where: short stacking energy: -10.530 Base-Backbone interact. energy: -0.000 local terms energy: -21.433136 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -3.770 flat angles P-C4'-P energy: -3.569 tors. eta vs tors. theta energy: -1.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 66 Temperature: 1.350000 Total energy: -26.007397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.007397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.007397 (E_RNA) where: Base-Base interactions energy: -9.794 where: short stacking energy: -9.794 Base-Backbone interact. energy: 0.002 local terms energy: -16.215977 where: bonds (distance) C4'-P energy: -3.725 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -4.165 flat angles P-C4'-P energy: -2.914 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: 1, replica: 7 ===================================== Write number: 67 Temperature: 0.900000 Total energy: -41.903242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.903242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.903242 (E_RNA) where: Base-Base interactions energy: -19.044 where: short stacking energy: -19.044 Base-Backbone interact. energy: -0.000 local terms energy: -22.858355 where: bonds (distance) C4'-P energy: -5.100 bonds (distance) P-C4' energy: -4.389 flat angles C4'-P-C4' energy: -6.171 flat angles P-C4'-P energy: -3.511 tors. eta vs tors. theta energy: -3.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 67 Temperature: 0.950000 Total energy: -41.798330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.798330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.798330 (E_RNA) where: Base-Base interactions energy: -17.116 where: short stacking energy: -13.459 Base-Backbone interact. energy: -0.100 local terms energy: -24.582005 where: bonds (distance) C4'-P energy: -5.651 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -5.164 flat angles P-C4'-P energy: -5.046 tors. eta vs tors. theta energy: -2.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 67 Temperature: 1.000000 Total energy: -37.945459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.945459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.945459 (E_RNA) where: Base-Base interactions energy: -13.331 where: short stacking energy: -13.331 Base-Backbone interact. energy: -0.016 local terms energy: -24.598694 where: bonds (distance) C4'-P energy: -4.611 bonds (distance) P-C4' energy: -5.843 flat angles C4'-P-C4' energy: -6.175 flat angles P-C4'-P energy: -4.934 tors. eta vs tors. theta energy: -3.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 67 Temperature: 1.050000 Total energy: -30.158993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.158993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.158993 (E_RNA) where: Base-Base interactions energy: -10.594 where: short stacking energy: -10.594 Base-Backbone interact. energy: -0.002 local terms energy: -19.563675 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -4.611 flat angles P-C4'-P energy: -4.082 tors. eta vs tors. theta energy: 0.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 67 Temperature: 1.100000 Total energy: -34.765870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.765870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.765870 (E_RNA) where: Base-Base interactions energy: -14.335 where: short stacking energy: -14.335 Base-Backbone interact. energy: -0.000 local terms energy: -20.430705 where: bonds (distance) C4'-P energy: -4.983 bonds (distance) P-C4' energy: -6.460 flat angles C4'-P-C4' energy: -4.914 flat angles P-C4'-P energy: -3.875 tors. eta vs tors. theta energy: -0.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 67 Temperature: 1.150000 Total energy: -35.146638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.146638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.146638 (E_RNA) where: Base-Base interactions energy: -11.503 where: short stacking energy: -11.503 Base-Backbone interact. energy: -0.092 local terms energy: -23.551085 where: bonds (distance) C4'-P energy: -4.251 bonds (distance) P-C4' energy: -5.705 flat angles C4'-P-C4' energy: -4.511 flat angles P-C4'-P energy: -5.459 tors. eta vs tors. theta energy: -3.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 67 Temperature: 1.200000 Total energy: -32.948118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.948118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.948118 (E_RNA) where: Base-Base interactions energy: -9.163 where: short stacking energy: -9.163 Base-Backbone interact. energy: -0.000 local terms energy: -23.785469 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -5.631 flat angles C4'-P-C4' energy: -6.343 flat angles P-C4'-P energy: -4.696 tors. eta vs tors. theta energy: -0.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 67 Temperature: 1.250000 Total energy: -35.435814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.435814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.435814 (E_RNA) where: Base-Base interactions energy: -13.135 where: short stacking energy: -13.135 Base-Backbone interact. energy: -0.081 local terms energy: -22.220206 where: bonds (distance) C4'-P energy: -5.145 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -5.469 flat angles P-C4'-P energy: -3.076 tors. eta vs tors. theta energy: -2.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 67 Temperature: 1.300000 Total energy: -33.276222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.276222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.276222 (E_RNA) where: Base-Base interactions energy: -15.971 where: short stacking energy: -15.971 Base-Backbone interact. energy: -0.001 local terms energy: -17.304446 where: bonds (distance) C4'-P energy: -2.011 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -4.420 flat angles P-C4'-P energy: -4.810 tors. eta vs tors. theta energy: -1.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 67 Temperature: 1.350000 Total energy: -30.457376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.457376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.457376 (E_RNA) where: Base-Base interactions energy: -12.251 where: short stacking energy: -12.251 Base-Backbone interact. energy: -0.000 local terms energy: -18.205790 where: bonds (distance) C4'-P energy: -3.378 bonds (distance) P-C4' energy: -4.416 flat angles C4'-P-C4' energy: -4.591 flat angles P-C4'-P energy: -3.330 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: 1, replica: 7 ===================================== Write number: 68 Temperature: 0.900000 Total energy: -40.761523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.761523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.761523 (E_RNA) where: Base-Base interactions energy: -13.523 where: short stacking energy: -13.523 Base-Backbone interact. energy: -0.002 local terms energy: -27.236748 where: bonds (distance) C4'-P energy: -5.866 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -6.096 flat angles P-C4'-P energy: -4.774 tors. eta vs tors. theta energy: -3.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 68 Temperature: 0.950000 Total energy: -42.728601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.728601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.728601 (E_RNA) where: Base-Base interactions energy: -12.613 where: short stacking energy: -12.613 Base-Backbone interact. energy: -0.000 local terms energy: -30.115761 where: bonds (distance) C4'-P energy: -5.295 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -5.777 flat angles P-C4'-P energy: -5.610 tors. eta vs tors. theta energy: -6.536 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: 9 ===================================== Write number: 68 Temperature: 1.000000 Total energy: -43.928841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.928841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.928841 (E_RNA) where: Base-Base interactions energy: -17.112 where: short stacking energy: -17.112 Base-Backbone interact. energy: -0.000 local terms energy: -26.816395 where: bonds (distance) C4'-P energy: -4.967 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -5.239 flat angles P-C4'-P energy: -4.353 tors. eta vs tors. theta energy: -5.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 68 Temperature: 1.050000 Total energy: -33.679471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.679471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.679471 (E_RNA) where: Base-Base interactions energy: -9.907 where: short stacking energy: -9.907 Base-Backbone interact. energy: -0.049 local terms energy: -23.722697 where: bonds (distance) C4'-P energy: -3.813 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -6.007 flat angles P-C4'-P energy: -4.375 tors. eta vs tors. theta energy: -3.307 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: 5, replica: 5 ===================================== Write number: 68 Temperature: 1.100000 Total energy: -36.183291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.183291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.183291 (E_RNA) where: Base-Base interactions energy: -14.313 where: short stacking energy: -14.313 Base-Backbone interact. energy: -0.000 local terms energy: -21.869775 where: bonds (distance) C4'-P energy: -4.230 bonds (distance) P-C4' energy: -5.537 flat angles C4'-P-C4' energy: -5.041 flat angles P-C4'-P energy: -3.346 tors. eta vs tors. theta energy: -3.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 68 Temperature: 1.150000 Total energy: -34.885461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.885461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.885461 (E_RNA) where: Base-Base interactions energy: -12.082 where: short stacking energy: -10.736 Base-Backbone interact. energy: -0.001 local terms energy: -22.802368 where: bonds (distance) C4'-P energy: -5.269 bonds (distance) P-C4' energy: -6.355 flat angles C4'-P-C4' energy: -5.337 flat angles P-C4'-P energy: -2.913 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: 7, replica: 8 ===================================== Write number: 68 Temperature: 1.200000 Total energy: -37.324720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.324720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.324720 (E_RNA) where: Base-Base interactions energy: -13.768 where: short stacking energy: -13.768 Base-Backbone interact. energy: -0.001 local terms energy: -23.555688 where: bonds (distance) C4'-P energy: -4.747 bonds (distance) P-C4' energy: -5.304 flat angles C4'-P-C4' energy: -4.675 flat angles P-C4'-P energy: -3.814 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: 6 ===================================== Write number: 68 Temperature: 1.250000 Total energy: -28.372939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.372939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.372939 (E_RNA) where: Base-Base interactions energy: -7.554 where: short stacking energy: -7.554 Base-Backbone interact. energy: -0.030 local terms energy: -20.789218 where: bonds (distance) C4'-P energy: -5.953 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -4.821 flat angles P-C4'-P energy: -3.710 tors. eta vs tors. theta energy: 0.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 68 Temperature: 1.300000 Total energy: -33.297598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.297598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.297598 (E_RNA) where: Base-Base interactions energy: -8.644 where: short stacking energy: -8.644 Base-Backbone interact. energy: -0.704 local terms energy: -23.949675 where: bonds (distance) C4'-P energy: -5.252 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -5.387 flat angles P-C4'-P energy: -3.655 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: 2 ===================================== Write number: 68 Temperature: 1.350000 Total energy: -29.531327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.531327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.531327 (E_RNA) where: Base-Base interactions energy: -8.963 where: short stacking energy: -8.963 Base-Backbone interact. energy: -0.094 local terms energy: -20.474146 where: bonds (distance) C4'-P energy: -6.105 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -3.015 flat angles P-C4'-P energy: -3.233 tors. eta vs tors. theta energy: -1.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 69 Temperature: 0.900000 Total energy: -40.205970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.205970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.205970 (E_RNA) where: Base-Base interactions energy: -15.203 where: short stacking energy: -15.203 Base-Backbone interact. energy: -0.000 local terms energy: -25.003018 where: bonds (distance) C4'-P energy: -5.473 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.408 flat angles P-C4'-P energy: -3.644 tors. eta vs tors. theta energy: -3.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 69 Temperature: 0.950000 Total energy: -43.005326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.005326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.005326 (E_RNA) where: Base-Base interactions energy: -19.104 where: short stacking energy: -19.104 Base-Backbone interact. energy: -0.000 local terms energy: -23.901727 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -3.910 flat angles P-C4'-P energy: -2.712 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: 3, replica: 9 ===================================== Write number: 69 Temperature: 1.000000 Total energy: -30.385674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.385674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.385674 (E_RNA) where: Base-Base interactions energy: -7.671 where: short stacking energy: -6.158 Base-Backbone interact. energy: -0.158 local terms energy: -22.556374 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -6.432 flat angles C4'-P-C4' energy: -4.388 flat angles P-C4'-P energy: -3.180 tors. eta vs tors. theta energy: -2.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 69 Temperature: 1.050000 Total energy: -37.762509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.762509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.762509 (E_RNA) where: Base-Base interactions energy: -13.081 where: short stacking energy: -13.167 Base-Backbone interact. energy: -0.003 local terms energy: -24.678452 where: bonds (distance) C4'-P energy: -5.696 bonds (distance) P-C4' energy: -6.457 flat angles C4'-P-C4' energy: -6.696 flat angles P-C4'-P energy: -5.155 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: 5, replica: 1 ===================================== Write number: 69 Temperature: 1.100000 Total energy: -36.925399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.925399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.925399 (E_RNA) where: Base-Base interactions energy: -12.944 where: short stacking energy: -12.944 Base-Backbone interact. energy: -0.000 local terms energy: -23.980691 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -4.190 flat angles P-C4'-P energy: -4.087 tors. eta vs tors. theta energy: -3.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 69 Temperature: 1.150000 Total energy: -36.441513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.441513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.441513 (E_RNA) where: Base-Base interactions energy: -12.004 where: short stacking energy: -12.004 Base-Backbone interact. energy: -0.093 local terms energy: -24.344157 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -5.435 flat angles C4'-P-C4' energy: -5.756 flat angles P-C4'-P energy: -5.338 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: 7, replica: 4 ===================================== Write number: 69 Temperature: 1.200000 Total energy: -36.528633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.528633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.528633 (E_RNA) where: Base-Base interactions energy: -13.766 where: short stacking energy: -13.766 Base-Backbone interact. energy: -0.000 local terms energy: -22.762235 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -6.358 flat angles C4'-P-C4' energy: -4.529 flat angles P-C4'-P energy: -3.002 tors. eta vs tors. theta energy: -2.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 69 Temperature: 1.250000 Total energy: -34.085608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.085608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.085608 (E_RNA) where: Base-Base interactions energy: -8.699 where: short stacking energy: -8.699 Base-Backbone interact. energy: -0.001 local terms energy: -25.385211 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -5.226 flat angles P-C4'-P energy: -4.957 tors. eta vs tors. theta energy: -2.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 69 Temperature: 1.300000 Total energy: -29.737543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.737543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.737543 (E_RNA) where: Base-Base interactions energy: -9.836 where: short stacking energy: -9.836 Base-Backbone interact. energy: -0.098 local terms energy: -19.803426 where: bonds (distance) C4'-P energy: -4.549 bonds (distance) P-C4' energy: -6.355 flat angles C4'-P-C4' energy: -4.164 flat angles P-C4'-P energy: -3.547 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: 10, replica: 2 ===================================== Write number: 69 Temperature: 1.350000 Total energy: -30.300786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.300786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.300786 (E_RNA) where: Base-Base interactions energy: -9.338 where: short stacking energy: -9.338 Base-Backbone interact. energy: 0.457 local terms energy: -21.419657 where: bonds (distance) C4'-P energy: -5.141 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -6.122 flat angles P-C4'-P energy: -2.617 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: 1, replica: 10 ===================================== Write number: 70 Temperature: 0.900000 Total energy: -35.804198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.804198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.804198 (E_RNA) where: Base-Base interactions energy: -12.302 where: short stacking energy: -12.302 Base-Backbone interact. energy: 0.237 local terms energy: -23.739438 where: bonds (distance) C4'-P energy: -5.091 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -5.261 flat angles P-C4'-P energy: -4.498 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: 2, replica: 7 ===================================== Write number: 70 Temperature: 0.950000 Total energy: -38.156343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.156343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.156343 (E_RNA) where: Base-Base interactions energy: -14.664 where: short stacking energy: -14.664 Base-Backbone interact. energy: -0.005 local terms energy: -23.487581 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -3.039 flat angles C4'-P-C4' energy: -5.293 flat angles P-C4'-P energy: -4.575 tors. eta vs tors. theta energy: -4.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 70 Temperature: 1.000000 Total energy: -38.673125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.673125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.673125 (E_RNA) where: Base-Base interactions energy: -16.906 where: short stacking energy: -16.906 Base-Backbone interact. energy: -0.308 local terms energy: -21.459157 where: bonds (distance) C4'-P energy: -4.905 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -5.009 flat angles P-C4'-P energy: -1.273 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: 4, replica: 9 ===================================== Write number: 70 Temperature: 1.050000 Total energy: -35.590019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.590019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.590019 (E_RNA) where: Base-Base interactions energy: -13.159 where: short stacking energy: -13.159 Base-Backbone interact. energy: -0.003 local terms energy: -22.428187 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -6.625 flat angles C4'-P-C4' energy: -5.726 flat angles P-C4'-P energy: -3.974 tors. eta vs tors. theta energy: -0.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 70 Temperature: 1.100000 Total energy: -34.019870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.019870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.019870 (E_RNA) where: Base-Base interactions energy: -11.017 where: short stacking energy: -11.017 Base-Backbone interact. energy: -0.003 local terms energy: -22.999900 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -3.982 flat angles P-C4'-P energy: -4.298 tors. eta vs tors. theta energy: -2.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 70 Temperature: 1.150000 Total energy: -31.741151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.741151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.741151 (E_RNA) where: Base-Base interactions energy: -11.512 where: short stacking energy: -11.512 Base-Backbone interact. energy: -0.002 local terms energy: -20.227514 where: bonds (distance) C4'-P energy: -2.934 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -4.747 flat angles P-C4'-P energy: -4.858 tors. eta vs tors. theta energy: -1.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 70 Temperature: 1.200000 Total energy: -32.656417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.656417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.656417 (E_RNA) where: Base-Base interactions energy: -13.693 where: short stacking energy: -13.693 Base-Backbone interact. energy: -0.006 local terms energy: -18.956836 where: bonds (distance) C4'-P energy: -2.293 bonds (distance) P-C4' energy: -6.460 flat angles C4'-P-C4' energy: -4.289 flat angles P-C4'-P energy: -3.683 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: 8, replica: 4 ===================================== Write number: 70 Temperature: 1.250000 Total energy: -28.805536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.805536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.805536 (E_RNA) where: Base-Base interactions energy: -7.103 where: short stacking energy: -7.103 Base-Backbone interact. energy: -0.147 local terms energy: -21.556094 where: bonds (distance) C4'-P energy: -5.377 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.789 flat angles P-C4'-P energy: -1.967 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: 2 ===================================== Write number: 70 Temperature: 1.300000 Total energy: -28.023697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.023697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.023697 (E_RNA) where: Base-Base interactions energy: -5.839 where: short stacking energy: -5.839 Base-Backbone interact. energy: -0.148 local terms energy: -22.036967 where: bonds (distance) C4'-P energy: -5.608 bonds (distance) P-C4' energy: -5.871 flat angles C4'-P-C4' energy: -6.523 flat angles P-C4'-P energy: -4.575 tors. eta vs tors. theta energy: 0.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 70 Temperature: 1.350000 Total energy: -34.851600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.851600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.851600 (E_RNA) where: Base-Base interactions energy: -7.648 where: short stacking energy: -7.648 Base-Backbone interact. energy: -0.037 local terms energy: -27.166421 where: bonds (distance) C4'-P energy: -4.843 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -5.817 flat angles P-C4'-P energy: -4.574 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: 1, replica: 10 ===================================== Write number: 71 Temperature: 0.900000 Total energy: -36.751148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.751148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.751148 (E_RNA) where: Base-Base interactions energy: -13.029 where: short stacking energy: -13.029 Base-Backbone interact. energy: -0.610 local terms energy: -23.112183 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.457 flat angles C4'-P-C4' energy: -3.693 flat angles P-C4'-P energy: -3.863 tors. eta vs tors. theta energy: -3.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 71 Temperature: 0.950000 Total energy: -39.226982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.226982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.226982 (E_RNA) where: Base-Base interactions energy: -17.682 where: short stacking energy: -17.682 Base-Backbone interact. energy: -0.091 local terms energy: -21.453748 where: bonds (distance) C4'-P energy: -2.591 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -4.634 flat angles P-C4'-P energy: -4.536 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: 3, replica: 7 ===================================== Write number: 71 Temperature: 1.000000 Total energy: -35.731403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.731403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.731403 (E_RNA) where: Base-Base interactions energy: -14.107 where: short stacking energy: -14.107 Base-Backbone interact. energy: -0.011 local terms energy: -21.613608 where: bonds (distance) C4'-P energy: -5.750 bonds (distance) P-C4' energy: -5.057 flat angles C4'-P-C4' energy: -4.268 flat angles P-C4'-P energy: -5.041 tors. eta vs tors. theta energy: -1.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 71 Temperature: 1.050000 Total energy: -39.817977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.817977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.817977 (E_RNA) where: Base-Base interactions energy: -16.490 where: short stacking energy: -16.490 Base-Backbone interact. energy: -0.000 local terms energy: -23.328049 where: bonds (distance) C4'-P energy: -4.690 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -5.794 flat angles P-C4'-P energy: -1.552 tors. eta vs tors. theta energy: -4.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 71 Temperature: 1.100000 Total energy: -31.992619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.992619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.992619 (E_RNA) where: Base-Base interactions energy: -11.296 where: short stacking energy: -11.296 Base-Backbone interact. energy: -0.094 local terms energy: -20.602134 where: bonds (distance) C4'-P energy: -4.835 bonds (distance) P-C4' energy: -5.209 flat angles C4'-P-C4' energy: -4.864 flat angles P-C4'-P energy: -4.823 tors. eta vs tors. theta energy: -0.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 71 Temperature: 1.150000 Total energy: -35.340293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.340293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.340293 (E_RNA) where: Base-Base interactions energy: -12.915 where: short stacking energy: -12.915 Base-Backbone interact. energy: -0.025 local terms energy: -22.401011 where: bonds (distance) C4'-P energy: -5.608 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -5.853 flat angles P-C4'-P energy: -3.743 tors. eta vs tors. theta energy: -2.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 71 Temperature: 1.200000 Total energy: -34.562999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.562999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.562999 (E_RNA) where: Base-Base interactions energy: -12.905 where: short stacking energy: -12.905 Base-Backbone interact. energy: -0.046 local terms energy: -21.611712 where: bonds (distance) C4'-P energy: -4.661 bonds (distance) P-C4' energy: -4.132 flat angles C4'-P-C4' energy: -4.349 flat angles P-C4'-P energy: -4.735 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: 8, replica: 2 ===================================== Write number: 71 Temperature: 1.250000 Total energy: -35.597590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.597590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.597590 (E_RNA) where: Base-Base interactions energy: -13.392 where: short stacking energy: -13.392 Base-Backbone interact. energy: -0.000 local terms energy: -22.204964 where: bonds (distance) C4'-P energy: -5.750 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -6.100 flat angles P-C4'-P energy: -0.449 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: 9, replica: 4 ===================================== Write number: 71 Temperature: 1.300000 Total energy: -29.973254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.973254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.973254 (E_RNA) where: Base-Base interactions energy: -10.623 where: short stacking energy: -10.623 Base-Backbone interact. energy: -0.019 local terms energy: -19.331158 where: bonds (distance) C4'-P energy: -5.101 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -4.674 flat angles P-C4'-P energy: -2.511 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: 10, replica: 6 ===================================== Write number: 71 Temperature: 1.350000 Total energy: -26.322602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.322602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.322602 (E_RNA) where: Base-Base interactions energy: -9.828 where: short stacking energy: -10.120 Base-Backbone interact. energy: -0.004 local terms energy: -16.490934 where: bonds (distance) C4'-P energy: -5.145 bonds (distance) P-C4' energy: -4.663 flat angles C4'-P-C4' energy: -2.148 flat angles P-C4'-P energy: -4.189 tors. eta vs tors. theta energy: -0.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 72 Temperature: 0.900000 Total energy: -36.094871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.094871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.094871 (E_RNA) where: Base-Base interactions energy: -13.272 where: short stacking energy: -13.272 Base-Backbone interact. energy: -0.099 local terms energy: -22.723884 where: bonds (distance) C4'-P energy: -5.617 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -5.222 flat angles P-C4'-P energy: -3.803 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: 2, replica: 5 ===================================== Write number: 72 Temperature: 0.950000 Total energy: -35.051487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.051487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.051487 (E_RNA) where: Base-Base interactions energy: -11.165 where: short stacking energy: -11.165 Base-Backbone interact. energy: -0.004 local terms energy: -23.883124 where: bonds (distance) C4'-P energy: -5.767 bonds (distance) P-C4' energy: -6.206 flat angles C4'-P-C4' energy: -5.406 flat angles P-C4'-P energy: -3.844 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: 3, replica: 1 ===================================== Write number: 72 Temperature: 1.000000 Total energy: -41.268932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.268932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.268932 (E_RNA) where: Base-Base interactions energy: -16.583 where: short stacking energy: -16.583 Base-Backbone interact. energy: -0.005 local terms energy: -24.681117 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -5.435 flat angles C4'-P-C4' energy: -6.326 flat angles P-C4'-P energy: -3.603 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: 4, replica: 7 ===================================== Write number: 72 Temperature: 1.050000 Total energy: -32.772359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.772359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.772359 (E_RNA) where: Base-Base interactions energy: -9.268 where: short stacking energy: -9.268 Base-Backbone interact. energy: -0.099 local terms energy: -23.405839 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -6.202 flat angles C4'-P-C4' energy: -6.215 flat angles P-C4'-P energy: -4.288 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: 5, replica: 3 ===================================== Write number: 72 Temperature: 1.100000 Total energy: -31.236276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.236276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.236276 (E_RNA) where: Base-Base interactions energy: -11.792 where: short stacking energy: -11.792 Base-Backbone interact. energy: 0.107 local terms energy: -19.551362 where: bonds (distance) C4'-P energy: -4.764 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -4.867 flat angles P-C4'-P energy: -3.965 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: 6, replica: 9 ===================================== Write number: 72 Temperature: 1.150000 Total energy: -29.996482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.996482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.996482 (E_RNA) where: Base-Base interactions energy: -8.719 where: short stacking energy: -8.719 Base-Backbone interact. energy: -0.005 local terms energy: -21.272049 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -4.286 flat angles P-C4'-P energy: -3.738 tors. eta vs tors. theta energy: -0.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 72 Temperature: 1.200000 Total energy: -36.663197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.663197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.663197 (E_RNA) where: Base-Base interactions energy: -13.484 where: short stacking energy: -13.484 Base-Backbone interact. energy: -0.008 local terms energy: -23.170496 where: bonds (distance) C4'-P energy: -5.117 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.132 flat angles P-C4'-P energy: -3.521 tors. eta vs tors. theta energy: -2.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 72 Temperature: 1.250000 Total energy: -30.092381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.092381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.092381 (E_RNA) where: Base-Base interactions energy: -8.410 where: short stacking energy: -8.410 Base-Backbone interact. energy: -0.003 local terms energy: -21.679546 where: bonds (distance) C4'-P energy: -4.035 bonds (distance) P-C4' energy: -6.159 flat angles C4'-P-C4' energy: -6.223 flat angles P-C4'-P energy: -5.255 tors. eta vs tors. theta energy: -0.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 72 Temperature: 1.300000 Total energy: -30.986840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.986840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.986840 (E_RNA) where: Base-Base interactions energy: -9.807 where: short stacking energy: -9.807 Base-Backbone interact. energy: -0.036 local terms energy: -21.143652 where: bonds (distance) C4'-P energy: -6.044 bonds (distance) P-C4' energy: -6.460 flat angles C4'-P-C4' energy: -4.217 flat angles P-C4'-P energy: -1.574 tors. eta vs tors. theta energy: -2.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 72 Temperature: 1.350000 Total energy: -30.727379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.727379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.727379 (E_RNA) where: Base-Base interactions energy: -10.221 where: short stacking energy: -10.221 Base-Backbone interact. energy: -0.086 local terms energy: -20.420249 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -4.257 flat angles P-C4'-P energy: -3.548 tors. eta vs tors. theta energy: -0.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 73 Temperature: 0.900000 Total energy: -40.949356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.949356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.949356 (E_RNA) where: Base-Base interactions energy: -13.867 where: short stacking energy: -13.867 Base-Backbone interact. energy: -0.000 local terms energy: -27.082429 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.271 flat angles P-C4'-P energy: -3.671 tors. eta vs tors. theta energy: -5.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 73 Temperature: 0.950000 Total energy: -44.014431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.014431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.014431 (E_RNA) where: Base-Base interactions energy: -16.760 where: short stacking energy: -16.760 Base-Backbone interact. energy: -0.000 local terms energy: -27.254282 where: bonds (distance) C4'-P energy: -5.075 bonds (distance) P-C4' energy: -6.392 flat angles C4'-P-C4' energy: -4.658 flat angles P-C4'-P energy: -4.687 tors. eta vs tors. theta energy: -6.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 73 Temperature: 1.000000 Total energy: -37.964758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.964758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.964758 (E_RNA) where: Base-Base interactions energy: -14.904 where: short stacking energy: -14.904 Base-Backbone interact. energy: -0.000 local terms energy: -23.060606 where: bonds (distance) C4'-P energy: -4.221 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -6.226 flat angles P-C4'-P energy: -2.208 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: 4, replica: 7 ===================================== Write number: 73 Temperature: 1.050000 Total energy: -37.153239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.153239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.153239 (E_RNA) where: Base-Base interactions energy: -12.609 where: short stacking energy: -12.609 Base-Backbone interact. energy: -0.028 local terms energy: -24.516869 where: bonds (distance) C4'-P energy: -5.179 bonds (distance) P-C4' energy: -5.537 flat angles C4'-P-C4' energy: -5.310 flat angles P-C4'-P energy: -5.124 tors. eta vs tors. theta energy: -3.367 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: 5, replica: 3 ===================================== Write number: 73 Temperature: 1.100000 Total energy: -34.575028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.575028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.575028 (E_RNA) where: Base-Base interactions energy: -14.153 where: short stacking energy: -14.153 Base-Backbone interact. energy: -0.096 local terms energy: -20.326161 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -4.181 flat angles C4'-P-C4' energy: -3.560 flat angles P-C4'-P energy: -5.288 tors. eta vs tors. theta energy: -1.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 73 Temperature: 1.150000 Total energy: -30.261870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.261870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.261870 (E_RNA) where: Base-Base interactions energy: -9.484 where: short stacking energy: -9.484 Base-Backbone interact. energy: -0.001 local terms energy: -20.776872 where: bonds (distance) C4'-P energy: -3.850 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -4.524 flat angles P-C4'-P energy: -4.590 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: 9 ===================================== Write number: 73 Temperature: 1.200000 Total energy: -29.590206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.590206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.590206 (E_RNA) where: Base-Base interactions energy: -7.476 where: short stacking energy: -7.476 Base-Backbone interact. energy: -0.000 local terms energy: -22.114270 where: bonds (distance) C4'-P energy: -4.959 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -4.429 flat angles P-C4'-P energy: -2.459 tors. eta vs tors. theta energy: -3.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 73 Temperature: 1.250000 Total energy: -30.702302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.702302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.702302 (E_RNA) where: Base-Base interactions energy: -13.259 where: short stacking energy: -11.672 Base-Backbone interact. energy: -0.031 local terms energy: -17.412469 where: bonds (distance) C4'-P energy: -5.600 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -4.035 flat angles P-C4'-P energy: -1.696 tors. eta vs tors. theta energy: 0.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 73 Temperature: 1.300000 Total energy: -30.236380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.236380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.236380 (E_RNA) where: Base-Base interactions energy: -6.214 where: short stacking energy: -6.214 Base-Backbone interact. energy: -0.064 local terms energy: -23.958386 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -4.601 flat angles P-C4'-P energy: -4.718 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: 10, replica: 4 ===================================== Write number: 73 Temperature: 1.350000 Total energy: -29.726938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.726938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.726938 (E_RNA) where: Base-Base interactions energy: -9.179 where: short stacking energy: -9.179 Base-Backbone interact. energy: -0.000 local terms energy: -20.547858 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.887 flat angles P-C4'-P energy: -2.684 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: 1 ===================================== Write number: 74 Temperature: 0.900000 Total energy: -35.569867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.569867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.569867 (E_RNA) where: Base-Base interactions energy: -13.258 where: short stacking energy: -13.258 Base-Backbone interact. energy: 0.133 local terms energy: -22.445288 where: bonds (distance) C4'-P energy: -4.515 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -6.553 flat angles P-C4'-P energy: -4.078 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: 2, replica: 10 ===================================== Write number: 74 Temperature: 0.950000 Total energy: -40.944307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.944307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.944307 (E_RNA) where: Base-Base interactions energy: -16.653 where: short stacking energy: -16.653 Base-Backbone interact. energy: -0.003 local terms energy: -24.288299 where: bonds (distance) C4'-P energy: -5.163 bonds (distance) P-C4' energy: -5.674 flat angles C4'-P-C4' energy: -3.777 flat angles P-C4'-P energy: -4.030 tors. eta vs tors. theta energy: -5.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 74 Temperature: 1.000000 Total energy: -36.141704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.141704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.141704 (E_RNA) where: Base-Base interactions energy: -14.137 where: short stacking energy: -14.137 Base-Backbone interact. energy: -0.018 local terms energy: -21.986663 where: bonds (distance) C4'-P energy: -6.139 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -3.877 flat angles P-C4'-P energy: -2.507 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: 4, replica: 5 ===================================== Write number: 74 Temperature: 1.050000 Total energy: -35.499966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.499966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.499966 (E_RNA) where: Base-Base interactions energy: -13.789 where: short stacking energy: -13.789 Base-Backbone interact. energy: -0.683 local terms energy: -21.027822 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -4.624 flat angles C4'-P-C4' energy: -2.831 flat angles P-C4'-P energy: -4.076 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: 5, replica: 2 ===================================== Write number: 74 Temperature: 1.100000 Total energy: -34.309728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.309728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.309728 (E_RNA) where: Base-Base interactions energy: -11.443 where: short stacking energy: -11.443 Base-Backbone interact. energy: 0.044 local terms energy: -22.910444 where: bonds (distance) C4'-P energy: -6.246 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -3.138 flat angles P-C4'-P energy: -4.177 tors. eta vs tors. theta energy: -2.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 74 Temperature: 1.150000 Total energy: -34.739329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.739329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.739329 (E_RNA) where: Base-Base interactions energy: -15.288 where: short stacking energy: -15.288 Base-Backbone interact. energy: -0.000 local terms energy: -19.451187 where: bonds (distance) C4'-P energy: -4.276 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -2.360 flat angles P-C4'-P energy: -3.776 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: 7, replica: 6 ===================================== Write number: 74 Temperature: 1.200000 Total energy: -30.735713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.735713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.735713 (E_RNA) where: Base-Base interactions energy: -8.939 where: short stacking energy: -8.939 Base-Backbone interact. energy: -0.908 local terms energy: -20.888752 where: bonds (distance) C4'-P energy: -5.207 bonds (distance) P-C4' energy: -3.776 flat angles C4'-P-C4' energy: -6.081 flat angles P-C4'-P energy: -3.259 tors. eta vs tors. theta energy: -2.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 74 Temperature: 1.250000 Total energy: -29.470725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.470725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.470725 (E_RNA) where: Base-Base interactions energy: -8.497 where: short stacking energy: -8.497 Base-Backbone interact. energy: -0.013 local terms energy: -20.960550 where: bonds (distance) C4'-P energy: -5.055 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -3.651 flat angles P-C4'-P energy: -3.898 tors. eta vs tors. theta energy: -1.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 74 Temperature: 1.300000 Total energy: -29.700293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.700293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.700293 (E_RNA) where: Base-Base interactions energy: -6.923 where: short stacking energy: -6.923 Base-Backbone interact. energy: -0.000 local terms energy: -22.777771 where: bonds (distance) C4'-P energy: -5.191 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -3.018 flat angles P-C4'-P energy: -3.788 tors. eta vs tors. theta energy: -4.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 74 Temperature: 1.350000 Total energy: -28.087433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.087433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.087433 (E_RNA) where: Base-Base interactions energy: -12.487 where: short stacking energy: -12.487 Base-Backbone interact. energy: -0.020 local terms energy: -15.580904 where: bonds (distance) C4'-P energy: -2.508 bonds (distance) P-C4' energy: -4.202 flat angles C4'-P-C4' energy: -3.176 flat angles P-C4'-P energy: -2.959 tors. eta vs tors. theta energy: -2.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 75 Temperature: 0.900000 Total energy: -36.529150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.529150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.529150 (E_RNA) where: Base-Base interactions energy: -13.527 where: short stacking energy: -13.527 Base-Backbone interact. energy: -0.000 local terms energy: -23.002566 where: bonds (distance) C4'-P energy: -5.766 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -5.097 flat angles P-C4'-P energy: -4.942 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: 2, replica: 10 ===================================== Write number: 75 Temperature: 0.950000 Total energy: -37.328025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.328025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.328025 (E_RNA) where: Base-Base interactions energy: -14.610 where: short stacking energy: -14.610 Base-Backbone interact. energy: -0.003 local terms energy: -22.714215 where: bonds (distance) C4'-P energy: -5.484 bonds (distance) P-C4' energy: -5.600 flat angles C4'-P-C4' energy: -5.867 flat angles P-C4'-P energy: -4.048 tors. eta vs tors. theta energy: -1.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 75 Temperature: 1.000000 Total energy: -39.351295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.351295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.351295 (E_RNA) where: Base-Base interactions energy: -13.256 where: short stacking energy: -13.256 Base-Backbone interact. energy: -0.003 local terms energy: -26.092823 where: bonds (distance) C4'-P energy: -4.967 bonds (distance) P-C4' energy: -6.678 flat angles C4'-P-C4' energy: -5.849 flat angles P-C4'-P energy: -4.850 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: 4, replica: 2 ===================================== Write number: 75 Temperature: 1.050000 Total energy: -32.821774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.821774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.821774 (E_RNA) where: Base-Base interactions energy: -12.490 where: short stacking energy: -12.490 Base-Backbone interact. energy: -0.061 local terms energy: -20.270648 where: bonds (distance) C4'-P energy: -5.998 bonds (distance) P-C4' energy: -5.184 flat angles C4'-P-C4' energy: -2.662 flat angles P-C4'-P energy: -3.505 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: 5 ===================================== Write number: 75 Temperature: 1.100000 Total energy: -35.878464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.878464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.878464 (E_RNA) where: Base-Base interactions energy: -12.217 where: short stacking energy: -12.217 Base-Backbone interact. energy: -0.158 local terms energy: -23.503009 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -6.290 flat angles P-C4'-P energy: -3.485 tors. eta vs tors. theta energy: -1.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 75 Temperature: 1.150000 Total energy: -30.949415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.949415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.949415 (E_RNA) where: Base-Base interactions energy: -9.447 where: short stacking energy: -9.447 Base-Backbone interact. energy: -0.156 local terms energy: -21.345996 where: bonds (distance) C4'-P energy: -4.843 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.763 flat angles P-C4'-P energy: -3.736 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: 7, replica: 3 ===================================== Write number: 75 Temperature: 1.200000 Total energy: -31.714754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.714754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.714754 (E_RNA) where: Base-Base interactions energy: -10.778 where: short stacking energy: -10.778 Base-Backbone interact. energy: -0.001 local terms energy: -20.935593 where: bonds (distance) C4'-P energy: -5.837 bonds (distance) P-C4' energy: -5.339 flat angles C4'-P-C4' energy: -3.039 flat angles P-C4'-P energy: -3.734 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: 8, replica: 4 ===================================== Write number: 75 Temperature: 1.250000 Total energy: -30.938905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.938905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.938905 (E_RNA) where: Base-Base interactions energy: -9.726 where: short stacking energy: -9.726 Base-Backbone interact. energy: -0.000 local terms energy: -21.212868 where: bonds (distance) C4'-P energy: -4.052 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -3.692 flat angles P-C4'-P energy: -5.223 tors. eta vs tors. theta energy: -1.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 75 Temperature: 1.300000 Total energy: -34.312403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.312403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.312403 (E_RNA) where: Base-Base interactions energy: -8.768 where: short stacking energy: -8.768 Base-Backbone interact. energy: -0.120 local terms energy: -25.424946 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -6.048 flat angles P-C4'-P energy: -3.620 tors. eta vs tors. theta energy: -2.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 75 Temperature: 1.350000 Total energy: -29.713873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.713873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.713873 (E_RNA) where: Base-Base interactions energy: -9.535 where: short stacking energy: -9.535 Base-Backbone interact. energy: -0.000 local terms energy: -20.178610 where: bonds (distance) C4'-P energy: -6.139 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -3.832 flat angles P-C4'-P energy: -0.724 tors. eta vs tors. theta energy: -3.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 76 Temperature: 0.900000 Total energy: -42.347954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.347954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.347954 (E_RNA) where: Base-Base interactions energy: -17.879 where: short stacking energy: -17.879 Base-Backbone interact. energy: -0.011 local terms energy: -24.458625 where: bonds (distance) C4'-P energy: -4.471 bonds (distance) P-C4' energy: -6.156 flat angles C4'-P-C4' energy: -5.060 flat angles P-C4'-P energy: -4.117 tors. eta vs tors. theta energy: -4.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 76 Temperature: 0.950000 Total energy: -35.026722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.026722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.026722 (E_RNA) where: Base-Base interactions energy: -13.400 where: short stacking energy: -13.400 Base-Backbone interact. energy: -0.034 local terms energy: -21.593432 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -3.451 flat angles C4'-P-C4' energy: -5.869 flat angles P-C4'-P energy: -3.523 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: 3, replica: 2 ===================================== Write number: 76 Temperature: 1.000000 Total energy: -36.158344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.158344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.158344 (E_RNA) where: Base-Base interactions energy: -12.797 where: short stacking energy: -12.797 Base-Backbone interact. energy: -0.000 local terms energy: -23.361281 where: bonds (distance) C4'-P energy: -4.864 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -4.681 flat angles P-C4'-P energy: -3.815 tors. eta vs tors. theta energy: -3.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 76 Temperature: 1.050000 Total energy: -40.489402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.489402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.489402 (E_RNA) where: Base-Base interactions energy: -13.093 where: short stacking energy: -13.093 Base-Backbone interact. energy: -0.000 local terms energy: -27.396728 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -4.962 flat angles P-C4'-P energy: -4.891 tors. eta vs tors. theta energy: -4.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 76 Temperature: 1.100000 Total energy: -36.636705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.636705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.636705 (E_RNA) where: Base-Base interactions energy: -11.395 where: short stacking energy: -11.395 Base-Backbone interact. energy: -0.000 local terms energy: -25.241321 where: bonds (distance) C4'-P energy: -4.682 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -6.076 flat angles P-C4'-P energy: -4.211 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: 6, replica: 5 ===================================== Write number: 76 Temperature: 1.150000 Total energy: -33.770901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.770901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.770901 (E_RNA) where: Base-Base interactions energy: -13.708 where: short stacking energy: -13.708 Base-Backbone interact. energy: -0.000 local terms energy: -20.062321 where: bonds (distance) C4'-P energy: -4.164 bonds (distance) P-C4' energy: -5.945 flat angles C4'-P-C4' energy: -2.835 flat angles P-C4'-P energy: -4.525 tors. eta vs tors. theta energy: -2.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 76 Temperature: 1.200000 Total energy: -30.571155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.571155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.571155 (E_RNA) where: Base-Base interactions energy: -11.302 where: short stacking energy: -11.302 Base-Backbone interact. energy: -0.064 local terms energy: -19.205017 where: bonds (distance) C4'-P energy: -4.098 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -3.565 flat angles P-C4'-P energy: -2.810 tors. eta vs tors. theta energy: -2.321 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: 3 ===================================== Write number: 76 Temperature: 1.250000 Total energy: -30.335987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.335987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.335987 (E_RNA) where: Base-Base interactions energy: -7.777 where: short stacking energy: -7.777 Base-Backbone interact. energy: -0.038 local terms energy: -22.521609 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -3.962 flat angles C4'-P-C4' energy: -4.980 flat angles P-C4'-P energy: -4.614 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: 9, replica: 9 ===================================== Write number: 76 Temperature: 1.300000 Total energy: -30.472171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.472171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.472171 (E_RNA) where: Base-Base interactions energy: -9.597 where: short stacking energy: -9.597 Base-Backbone interact. energy: -0.003 local terms energy: -20.872247 where: bonds (distance) C4'-P energy: -4.453 bonds (distance) P-C4' energy: -6.100 flat angles C4'-P-C4' energy: -6.261 flat angles P-C4'-P energy: -3.190 tors. eta vs tors. theta energy: -0.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 76 Temperature: 1.350000 Total energy: -30.946079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.946079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.946079 (E_RNA) where: Base-Base interactions energy: -8.642 where: short stacking energy: -8.642 Base-Backbone interact. energy: -0.099 local terms energy: -22.205311 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.815 flat angles P-C4'-P energy: -1.947 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: 1, replica: 10 ===================================== Write number: 77 Temperature: 0.900000 Total energy: -37.326896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.326896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.326896 (E_RNA) where: Base-Base interactions energy: -10.033 where: short stacking energy: -10.033 Base-Backbone interact. energy: -0.047 local terms energy: -27.247249 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -6.247 flat angles P-C4'-P energy: -5.018 tors. eta vs tors. theta energy: -3.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 77 Temperature: 0.950000 Total energy: -38.805247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.805247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.805247 (E_RNA) where: Base-Base interactions energy: -13.732 where: short stacking energy: -13.732 Base-Backbone interact. energy: -0.010 local terms energy: -25.062968 where: bonds (distance) C4'-P energy: -4.719 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -4.514 flat angles P-C4'-P energy: -5.020 tors. eta vs tors. theta energy: -4.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 77 Temperature: 1.000000 Total energy: -39.383579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.383579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.383579 (E_RNA) where: Base-Base interactions energy: -14.647 where: short stacking energy: -14.647 Base-Backbone interact. energy: -0.000 local terms energy: -24.736098 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -4.831 flat angles P-C4'-P energy: -4.167 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: 4, replica: 7 ===================================== Write number: 77 Temperature: 1.050000 Total energy: -38.876257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.876257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.876257 (E_RNA) where: Base-Base interactions energy: -14.534 where: short stacking energy: -14.534 Base-Backbone interact. energy: -0.000 local terms energy: -24.342621 where: bonds (distance) C4'-P energy: -5.998 bonds (distance) P-C4' energy: -6.438 flat angles C4'-P-C4' energy: -5.866 flat angles P-C4'-P energy: -4.111 tors. eta vs tors. theta energy: -1.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 77 Temperature: 1.100000 Total energy: -31.896350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.896350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.896350 (E_RNA) where: Base-Base interactions energy: -11.303 where: short stacking energy: -11.303 Base-Backbone interact. energy: -0.056 local terms energy: -20.537572 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -4.154 flat angles P-C4'-P energy: -2.049 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: 6, replica: 4 ===================================== Write number: 77 Temperature: 1.150000 Total energy: -33.810043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.810043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.810043 (E_RNA) where: Base-Base interactions energy: -9.203 where: short stacking energy: -9.203 Base-Backbone interact. energy: -0.003 local terms energy: -24.604397 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -5.182 flat angles P-C4'-P energy: -4.810 tors. eta vs tors. theta energy: -2.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 77 Temperature: 1.200000 Total energy: -35.840823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.840823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.840823 (E_RNA) where: Base-Base interactions energy: -12.018 where: short stacking energy: -12.018 Base-Backbone interact. energy: -0.001 local terms energy: -23.821530 where: bonds (distance) C4'-P energy: -4.983 bonds (distance) P-C4' energy: -5.339 flat angles C4'-P-C4' energy: -5.591 flat angles P-C4'-P energy: -5.325 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: 8, replica: 9 ===================================== Write number: 77 Temperature: 1.250000 Total energy: -31.700681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.700681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.700681 (E_RNA) where: Base-Base interactions energy: -9.186 where: short stacking energy: -9.186 Base-Backbone interact. energy: -0.015 local terms energy: -22.499962 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -6.407 flat angles C4'-P-C4' energy: -5.682 flat angles P-C4'-P energy: -2.486 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: 9, replica: 3 ===================================== Write number: 77 Temperature: 1.300000 Total energy: -30.982252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.982252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.982252 (E_RNA) where: Base-Base interactions energy: -8.524 where: short stacking energy: -8.524 Base-Backbone interact. energy: -0.008 local terms energy: -22.450097 where: bonds (distance) C4'-P energy: -6.354 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -3.754 flat angles P-C4'-P energy: -2.166 tors. eta vs tors. theta energy: -3.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 77 Temperature: 1.350000 Total energy: -25.525477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.525477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.525477 (E_RNA) where: Base-Base interactions energy: -7.008 where: short stacking energy: -8.308 Base-Backbone interact. energy: -0.120 local terms energy: -18.397739 where: bonds (distance) C4'-P energy: -3.990 bonds (distance) P-C4' energy: -5.339 flat angles C4'-P-C4' energy: -5.124 flat angles P-C4'-P energy: -2.498 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: 1, replica: 2 ===================================== Write number: 78 Temperature: 0.900000 Total energy: -41.237305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.237305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.237305 (E_RNA) where: Base-Base interactions energy: -14.603 where: short stacking energy: -14.603 Base-Backbone interact. energy: -0.000 local terms energy: -26.633768 where: bonds (distance) C4'-P energy: -5.163 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -5.281 flat angles P-C4'-P energy: -4.801 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: 10 ===================================== Write number: 78 Temperature: 0.950000 Total energy: -39.104136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.104136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.104136 (E_RNA) where: Base-Base interactions energy: -15.480 where: short stacking energy: -15.480 Base-Backbone interact. energy: -0.002 local terms energy: -23.621527 where: bonds (distance) C4'-P energy: -5.766 bonds (distance) P-C4' energy: -5.966 flat angles C4'-P-C4' energy: -3.552 flat angles P-C4'-P energy: -4.559 tors. eta vs tors. theta energy: -3.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 78 Temperature: 1.000000 Total energy: -35.139079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.139079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.139079 (E_RNA) where: Base-Base interactions energy: -14.109 where: short stacking energy: -14.109 Base-Backbone interact. energy: -0.000 local terms energy: -21.030252 where: bonds (distance) C4'-P energy: -3.902 bonds (distance) P-C4' energy: -5.895 flat angles C4'-P-C4' energy: -4.509 flat angles P-C4'-P energy: -5.247 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: 1 ===================================== Write number: 78 Temperature: 1.050000 Total energy: -33.973294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.973294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.973294 (E_RNA) where: Base-Base interactions energy: -9.730 where: short stacking energy: -9.730 Base-Backbone interact. energy: -0.089 local terms energy: -24.153408 where: bonds (distance) C4'-P energy: -4.913 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -5.991 flat angles P-C4'-P energy: -4.546 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: 5, replica: 4 ===================================== Write number: 78 Temperature: 1.100000 Total energy: -33.653493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.653493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.653493 (E_RNA) where: Base-Base interactions energy: -9.041 where: short stacking energy: -9.041 Base-Backbone interact. energy: -0.289 local terms energy: -24.322893 where: bonds (distance) C4'-P energy: -5.990 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -4.418 flat angles P-C4'-P energy: -4.891 tors. eta vs tors. theta energy: -2.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 78 Temperature: 1.150000 Total energy: -35.245293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.245293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.245293 (E_RNA) where: Base-Base interactions energy: -12.556 where: short stacking energy: -12.556 Base-Backbone interact. energy: -0.000 local terms energy: -22.689435 where: bonds (distance) C4'-P energy: -3.328 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -4.828 flat angles P-C4'-P energy: -4.293 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: 7, replica: 9 ===================================== Write number: 78 Temperature: 1.200000 Total energy: -33.757167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.757167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.757167 (E_RNA) where: Base-Base interactions energy: -12.978 where: short stacking energy: -12.978 Base-Backbone interact. energy: -0.004 local terms energy: -20.775292 where: bonds (distance) C4'-P energy: -2.351 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -6.137 flat angles P-C4'-P energy: -3.959 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: 5 ===================================== Write number: 78 Temperature: 1.250000 Total energy: -32.749758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.749758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.749758 (E_RNA) where: Base-Base interactions energy: -11.082 where: short stacking energy: -8.754 Base-Backbone interact. energy: -0.024 local terms energy: -21.644126 where: bonds (distance) C4'-P energy: -5.990 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -3.032 flat angles P-C4'-P energy: -3.907 tors. eta vs tors. theta energy: -1.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 78 Temperature: 1.300000 Total energy: -32.920258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.920258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.920258 (E_RNA) where: Base-Base interactions energy: -11.224 where: short stacking energy: -11.224 Base-Backbone interact. energy: -0.097 local terms energy: -21.599343 where: bonds (distance) C4'-P energy: -5.527 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -3.167 flat angles P-C4'-P energy: -2.825 tors. eta vs tors. theta energy: -3.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 78 Temperature: 1.350000 Total energy: -26.961764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.961764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.961764 (E_RNA) where: Base-Base interactions energy: -5.441 where: short stacking energy: -5.441 Base-Backbone interact. energy: -0.096 local terms energy: -21.423992 where: bonds (distance) C4'-P energy: -5.518 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -5.472 flat angles P-C4'-P energy: -3.991 tors. eta vs tors. theta energy: 0.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 79 Temperature: 0.900000 Total energy: -38.409367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.409367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.409367 (E_RNA) where: Base-Base interactions energy: -14.113 where: short stacking energy: -14.113 Base-Backbone interact. energy: -0.399 local terms energy: -23.897820 where: bonds (distance) C4'-P energy: -5.104 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -6.200 flat angles P-C4'-P energy: -4.125 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: 2, replica: 7 ===================================== Write number: 79 Temperature: 0.950000 Total energy: -37.280338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.280338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.280338 (E_RNA) where: Base-Base interactions energy: -12.742 where: short stacking energy: -12.742 Base-Backbone interact. energy: -0.000 local terms energy: -24.538082 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -3.486 flat angles P-C4'-P energy: -4.643 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: 3, replica: 10 ===================================== Write number: 79 Temperature: 1.000000 Total energy: -36.700125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.700125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.700125 (E_RNA) where: Base-Base interactions energy: -13.096 where: short stacking energy: -13.096 Base-Backbone interact. energy: -0.064 local terms energy: -23.540507 where: bonds (distance) C4'-P energy: -5.837 bonds (distance) P-C4' energy: -5.604 flat angles C4'-P-C4' energy: -5.919 flat angles P-C4'-P energy: -4.594 tors. eta vs tors. theta energy: -1.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 79 Temperature: 1.050000 Total energy: -35.314329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.314329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.314329 (E_RNA) where: Base-Base interactions energy: -15.893 where: short stacking energy: -15.893 Base-Backbone interact. energy: -0.043 local terms energy: -19.378361 where: bonds (distance) C4'-P energy: -4.611 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -4.368 flat angles P-C4'-P energy: -2.203 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: 5, replica: 4 ===================================== Write number: 79 Temperature: 1.100000 Total energy: -36.324256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.324256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.324256 (E_RNA) where: Base-Base interactions energy: -12.245 where: short stacking energy: -12.245 Base-Backbone interact. energy: -0.000 local terms energy: -24.079642 where: bonds (distance) C4'-P energy: -4.624 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -5.609 flat angles P-C4'-P energy: -3.282 tors. eta vs tors. theta energy: -5.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 79 Temperature: 1.150000 Total energy: -37.555689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.555689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.555689 (E_RNA) where: Base-Base interactions energy: -13.126 where: short stacking energy: -13.126 Base-Backbone interact. energy: -0.000 local terms energy: -24.429504 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -4.445 flat angles P-C4'-P energy: -4.137 tors. eta vs tors. theta energy: -3.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 79 Temperature: 1.200000 Total energy: -33.630942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.630942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.630942 (E_RNA) where: Base-Base interactions energy: -12.502 where: short stacking energy: -12.502 Base-Backbone interact. energy: -0.022 local terms energy: -21.107692 where: bonds (distance) C4'-P energy: -4.256 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -6.225 flat angles P-C4'-P energy: -3.175 tors. eta vs tors. theta energy: -0.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 79 Temperature: 1.250000 Total energy: -35.092442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.092442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.092442 (E_RNA) where: Base-Base interactions energy: -11.347 where: short stacking energy: -11.347 Base-Backbone interact. energy: -0.027 local terms energy: -23.718578 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -4.858 flat angles P-C4'-P energy: -4.437 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: 8 ===================================== Write number: 79 Temperature: 1.300000 Total energy: -30.554793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.554793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.554793 (E_RNA) where: Base-Base interactions energy: -9.998 where: short stacking energy: -9.998 Base-Backbone interact. energy: -0.003 local terms energy: -20.553171 where: bonds (distance) C4'-P energy: -5.667 bonds (distance) P-C4' energy: -5.541 flat angles C4'-P-C4' energy: -4.373 flat angles P-C4'-P energy: -4.190 tors. eta vs tors. theta energy: -0.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 79 Temperature: 1.350000 Total energy: -30.916456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.916456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.916456 (E_RNA) where: Base-Base interactions energy: -9.814 where: short stacking energy: -9.814 Base-Backbone interact. energy: -0.022 local terms energy: -21.080207 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -5.410 flat angles C4'-P-C4' energy: -3.045 flat angles P-C4'-P energy: -3.336 tors. eta vs tors. theta energy: -3.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 80 Temperature: 0.900000 Total energy: -40.245590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.245590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.245590 (E_RNA) where: Base-Base interactions energy: -16.776 where: short stacking energy: -16.776 Base-Backbone interact. energy: -0.102 local terms energy: -23.367628 where: bonds (distance) C4'-P energy: -4.338 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.701 flat angles P-C4'-P energy: -3.970 tors. eta vs tors. theta energy: -2.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 80 Temperature: 0.950000 Total energy: -40.334528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.334528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.334528 (E_RNA) where: Base-Base interactions energy: -12.852 where: short stacking energy: -12.939 Base-Backbone interact. energy: -0.043 local terms energy: -27.439358 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -5.590 flat angles P-C4'-P energy: -4.262 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: 3, replica: 1 ===================================== Write number: 80 Temperature: 1.000000 Total energy: -34.662729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.662729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.662729 (E_RNA) where: Base-Base interactions energy: -12.608 where: short stacking energy: -12.608 Base-Backbone interact. energy: -0.000 local terms energy: -22.054968 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -5.135 flat angles C4'-P-C4' energy: -4.823 flat angles P-C4'-P energy: -4.379 tors. eta vs tors. theta energy: -1.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 80 Temperature: 1.050000 Total energy: -33.103297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.103297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.103297 (E_RNA) where: Base-Base interactions energy: -9.585 where: short stacking energy: -9.585 Base-Backbone interact. energy: -0.023 local terms energy: -23.494871 where: bonds (distance) C4'-P energy: -3.361 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -5.469 flat angles P-C4'-P energy: -4.685 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: 5, replica: 4 ===================================== Write number: 80 Temperature: 1.100000 Total energy: -33.714487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.714487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.714487 (E_RNA) where: Base-Base interactions energy: -11.222 where: short stacking energy: -11.222 Base-Backbone interact. energy: -0.100 local terms energy: -22.392824 where: bonds (distance) C4'-P energy: -5.456 bonds (distance) P-C4' energy: -4.519 flat angles C4'-P-C4' energy: -5.430 flat angles P-C4'-P energy: -3.903 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: 6, replica: 9 ===================================== Write number: 80 Temperature: 1.150000 Total energy: -32.180253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.180253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.180253 (E_RNA) where: Base-Base interactions energy: -8.477 where: short stacking energy: -8.477 Base-Backbone interact. energy: -0.000 local terms energy: -23.702952 where: bonds (distance) C4'-P energy: -6.246 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -6.242 flat angles P-C4'-P energy: -2.135 tors. eta vs tors. theta energy: -2.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 80 Temperature: 1.200000 Total energy: -28.216665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.216665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.216665 (E_RNA) where: Base-Base interactions energy: -5.564 where: short stacking energy: -5.564 Base-Backbone interact. energy: -0.687 local terms energy: -21.965006 where: bonds (distance) C4'-P energy: -5.518 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -5.733 flat angles P-C4'-P energy: -3.773 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: 8, replica: 6 ===================================== Write number: 80 Temperature: 1.250000 Total energy: -29.655490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.655490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.655490 (E_RNA) where: Base-Base interactions energy: -9.968 where: short stacking energy: -9.968 Base-Backbone interact. energy: -0.001 local terms energy: -19.686351 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -4.539 flat angles P-C4'-P energy: -5.145 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: 9, replica: 3 ===================================== Write number: 80 Temperature: 1.300000 Total energy: -32.072271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.072271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.072271 (E_RNA) where: Base-Base interactions energy: -10.287 where: short stacking energy: -10.287 Base-Backbone interact. energy: -0.011 local terms energy: -21.774887 where: bonds (distance) C4'-P energy: -4.727 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -5.541 flat angles P-C4'-P energy: -4.014 tors. eta vs tors. theta energy: -1.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 80 Temperature: 1.350000 Total energy: -30.019480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.019480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.019480 (E_RNA) where: Base-Base interactions energy: -9.646 where: short stacking energy: -9.646 Base-Backbone interact. energy: -0.197 local terms energy: -20.176296 where: bonds (distance) C4'-P energy: -5.091 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -5.986 flat angles P-C4'-P energy: -3.385 tors. eta vs tors. theta energy: 0.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 81 Temperature: 0.900000 Total energy: -44.843003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.843003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.843003 (E_RNA) where: Base-Base interactions energy: -17.549 where: short stacking energy: -17.549 Base-Backbone interact. energy: -0.000 local terms energy: -27.294362 where: bonds (distance) C4'-P energy: -5.306 bonds (distance) P-C4' energy: -4.304 flat angles C4'-P-C4' energy: -6.481 flat angles P-C4'-P energy: -4.259 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: 2, replica: 1 ===================================== Write number: 81 Temperature: 0.950000 Total energy: -37.693810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.693810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.693810 (E_RNA) where: Base-Base interactions energy: -15.185 where: short stacking energy: -15.185 Base-Backbone interact. energy: -0.019 local terms energy: -22.489458 where: bonds (distance) C4'-P energy: -5.535 bonds (distance) P-C4' energy: -4.730 flat angles C4'-P-C4' energy: -6.518 flat angles P-C4'-P energy: -3.658 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: 3, replica: 7 ===================================== Write number: 81 Temperature: 1.000000 Total energy: -36.568364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.568364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.568364 (E_RNA) where: Base-Base interactions energy: -14.407 where: short stacking energy: -14.407 Base-Backbone interact. energy: -0.092 local terms energy: -22.069266 where: bonds (distance) C4'-P energy: -5.075 bonds (distance) P-C4' energy: -5.469 flat angles C4'-P-C4' energy: -5.679 flat angles P-C4'-P energy: -3.706 tors. eta vs tors. theta energy: -2.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 81 Temperature: 1.050000 Total energy: -36.590122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.590122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.590122 (E_RNA) where: Base-Base interactions energy: -14.415 where: short stacking energy: -14.415 Base-Backbone interact. energy: -0.001 local terms energy: -22.174455 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -1.761 flat angles C4'-P-C4' energy: -5.308 flat angles P-C4'-P energy: -4.028 tors. eta vs tors. theta energy: -5.141 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: 10 ===================================== Write number: 81 Temperature: 1.100000 Total energy: -37.903388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.903388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.903388 (E_RNA) where: Base-Base interactions energy: -14.151 where: short stacking energy: -14.151 Base-Backbone interact. energy: -0.008 local terms energy: -23.744384 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -4.290 flat angles C4'-P-C4' energy: -5.709 flat angles P-C4'-P energy: -3.576 tors. eta vs tors. theta energy: -4.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 81 Temperature: 1.150000 Total energy: -35.993107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.993107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.993107 (E_RNA) where: Base-Base interactions energy: -13.726 where: short stacking energy: -13.726 Base-Backbone interact. energy: -0.094 local terms energy: -22.173313 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -3.961 flat angles P-C4'-P energy: -4.520 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: 7, replica: 9 ===================================== Write number: 81 Temperature: 1.200000 Total energy: -31.516660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.516660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.516660 (E_RNA) where: Base-Base interactions energy: -8.980 where: short stacking energy: -8.980 Base-Backbone interact. energy: 0.690 local terms energy: -23.227170 where: bonds (distance) C4'-P energy: -5.600 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -5.799 flat angles P-C4'-P energy: -4.573 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: 8, replica: 3 ===================================== Write number: 81 Temperature: 1.250000 Total energy: -32.913441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.913441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.913441 (E_RNA) where: Base-Base interactions energy: -13.301 where: short stacking energy: -13.360 Base-Backbone interact. energy: -0.000 local terms energy: -19.612080 where: bonds (distance) C4'-P energy: -4.983 bonds (distance) P-C4' energy: -4.892 flat angles C4'-P-C4' energy: -4.218 flat angles P-C4'-P energy: -3.900 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: 81 Temperature: 1.300000 Total energy: -34.713277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.713277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.713277 (E_RNA) where: Base-Base interactions energy: -13.012 where: short stacking energy: -13.012 Base-Backbone interact. energy: -0.060 local terms energy: -21.641571 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -5.489 flat angles P-C4'-P energy: -1.309 tors. eta vs tors. theta energy: -2.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 81 Temperature: 1.350000 Total energy: -32.159788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.159788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.159788 (E_RNA) where: Base-Base interactions energy: -10.989 where: short stacking energy: -10.989 Base-Backbone interact. energy: -0.000 local terms energy: -21.170344 where: bonds (distance) C4'-P energy: -4.859 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -5.675 flat angles P-C4'-P energy: -3.339 tors. eta vs tors. theta energy: -1.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 82 Temperature: 0.900000 Total energy: -37.576114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.576114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.576114 (E_RNA) where: Base-Base interactions energy: -13.582 where: short stacking energy: -13.582 Base-Backbone interact. energy: -0.087 local terms energy: -23.906735 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -6.382 flat angles C4'-P-C4' energy: -5.396 flat angles P-C4'-P energy: -4.967 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: 2, replica: 2 ===================================== Write number: 82 Temperature: 0.950000 Total energy: -37.492909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.492909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.492909 (E_RNA) where: Base-Base interactions energy: -13.227 where: short stacking energy: -13.227 Base-Backbone interact. energy: -0.000 local terms energy: -24.265877 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -5.554 flat angles P-C4'-P energy: -2.420 tors. eta vs tors. theta energy: -4.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 82 Temperature: 1.000000 Total energy: -39.578030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.578030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.578030 (E_RNA) where: Base-Base interactions energy: -13.513 where: short stacking energy: -13.513 Base-Backbone interact. energy: -0.000 local terms energy: -26.064838 where: bonds (distance) C4'-P energy: -3.547 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -6.159 flat angles P-C4'-P energy: -5.175 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: 7 ===================================== Write number: 82 Temperature: 1.050000 Total energy: -38.592802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.592802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.592802 (E_RNA) where: Base-Base interactions energy: -13.720 where: short stacking energy: -13.720 Base-Backbone interact. energy: -0.092 local terms energy: -24.780338 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -5.317 flat angles P-C4'-P energy: -4.647 tors. eta vs tors. theta energy: -3.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 82 Temperature: 1.100000 Total energy: -34.049954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.049954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.049954 (E_RNA) where: Base-Base interactions energy: -12.699 where: short stacking energy: -12.699 Base-Backbone interact. energy: -0.000 local terms energy: -21.350329 where: bonds (distance) C4'-P energy: -5.518 bonds (distance) P-C4' energy: -4.085 flat angles C4'-P-C4' energy: -4.548 flat angles P-C4'-P energy: -4.376 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: 5 ===================================== Write number: 82 Temperature: 1.150000 Total energy: -31.102806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.102806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.102806 (E_RNA) where: Base-Base interactions energy: -10.660 where: short stacking energy: -10.660 Base-Backbone interact. energy: -0.000 local terms energy: -20.442666 where: bonds (distance) C4'-P energy: -5.047 bonds (distance) P-C4' energy: -6.149 flat angles C4'-P-C4' energy: -4.037 flat angles P-C4'-P energy: -4.469 tors. eta vs tors. theta energy: -0.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 82 Temperature: 1.200000 Total energy: -30.846995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.846995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.846995 (E_RNA) where: Base-Base interactions energy: -12.466 where: short stacking energy: -12.466 Base-Backbone interact. energy: -0.072 local terms energy: -18.309106 where: bonds (distance) C4'-P energy: -5.348 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -3.195 flat angles P-C4'-P energy: -0.753 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: 8, replica: 9 ===================================== Write number: 82 Temperature: 1.250000 Total energy: -33.723474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.723474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.723474 (E_RNA) where: Base-Base interactions energy: -12.377 where: short stacking energy: -12.377 Base-Backbone interact. energy: -0.073 local terms energy: -21.273186 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -5.572 flat angles C4'-P-C4' energy: -4.779 flat angles P-C4'-P energy: -3.791 tors. eta vs tors. theta energy: -1.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 82 Temperature: 1.300000 Total energy: -33.129796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.129796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.129796 (E_RNA) where: Base-Base interactions energy: -9.956 where: short stacking energy: -9.956 Base-Backbone interact. energy: -0.071 local terms energy: -23.103222 where: bonds (distance) C4'-P energy: -5.241 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -4.576 flat angles P-C4'-P energy: -3.901 tors. eta vs tors. theta energy: -2.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 82 Temperature: 1.350000 Total energy: -33.108209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.108209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.108209 (E_RNA) where: Base-Base interactions energy: -13.036 where: short stacking energy: -13.036 Base-Backbone interact. energy: -0.007 local terms energy: -20.064665 where: bonds (distance) C4'-P energy: -3.849 bonds (distance) P-C4' energy: -4.293 flat angles C4'-P-C4' energy: -5.903 flat angles P-C4'-P energy: -4.650 tors. eta vs tors. theta energy: -1.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 83 Temperature: 0.900000 Total energy: -45.971037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.971037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.971037 (E_RNA) where: Base-Base interactions energy: -18.075 where: short stacking energy: -18.075 Base-Backbone interact. energy: -0.000 local terms energy: -27.896511 where: bonds (distance) C4'-P energy: -6.246 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -6.273 flat angles P-C4'-P energy: -4.272 tors. eta vs tors. theta energy: -4.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 83 Temperature: 0.950000 Total energy: -36.289046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.289046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.289046 (E_RNA) where: Base-Base interactions energy: -16.699 where: short stacking energy: -16.699 Base-Backbone interact. energy: -0.001 local terms energy: -19.589536 where: bonds (distance) C4'-P energy: -4.214 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -5.012 flat angles P-C4'-P energy: -3.344 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: 3, replica: 2 ===================================== Write number: 83 Temperature: 1.000000 Total energy: -38.448405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.448405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.448405 (E_RNA) where: Base-Base interactions energy: -14.391 where: short stacking energy: -14.391 Base-Backbone interact. energy: -0.000 local terms energy: -24.057208 where: bonds (distance) C4'-P energy: -4.657 bonds (distance) P-C4' energy: -6.106 flat angles C4'-P-C4' energy: -5.448 flat angles P-C4'-P energy: -4.552 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: 4, replica: 10 ===================================== Write number: 83 Temperature: 1.050000 Total energy: -36.081105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.081105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.081105 (E_RNA) where: Base-Base interactions energy: -13.238 where: short stacking energy: -13.238 Base-Backbone interact. energy: -0.000 local terms energy: -22.842671 where: bonds (distance) C4'-P energy: -5.716 bonds (distance) P-C4' energy: -5.494 flat angles C4'-P-C4' energy: -3.642 flat angles P-C4'-P energy: -3.936 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: 5, replica: 7 ===================================== Write number: 83 Temperature: 1.100000 Total energy: -34.530364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.530364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.530364 (E_RNA) where: Base-Base interactions energy: -12.220 where: short stacking energy: -12.220 Base-Backbone interact. energy: -0.000 local terms energy: -22.310550 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -5.938 flat angles C4'-P-C4' energy: -3.547 flat angles P-C4'-P energy: -2.951 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: 6, replica: 3 ===================================== Write number: 83 Temperature: 1.150000 Total energy: -39.963425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.963425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.963425 (E_RNA) where: Base-Base interactions energy: -13.147 where: short stacking energy: -13.147 Base-Backbone interact. energy: -0.001 local terms energy: -26.815788 where: bonds (distance) C4'-P energy: -5.411 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -4.587 flat angles P-C4'-P energy: -5.598 tors. eta vs tors. theta energy: -4.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 83 Temperature: 1.200000 Total energy: -36.236023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.236023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.236023 (E_RNA) where: Base-Base interactions energy: -13.809 where: short stacking energy: -13.809 Base-Backbone interact. energy: -0.069 local terms energy: -22.357723 where: bonds (distance) C4'-P energy: -4.673 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -6.682 flat angles P-C4'-P energy: -3.929 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: 8, replica: 8 ===================================== Write number: 83 Temperature: 1.250000 Total energy: -31.879399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.879399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.879399 (E_RNA) where: Base-Base interactions energy: -12.227 where: short stacking energy: -12.227 Base-Backbone interact. energy: -0.000 local terms energy: -19.651911 where: bonds (distance) C4'-P energy: -2.206 bonds (distance) P-C4' energy: -6.125 flat angles C4'-P-C4' energy: -4.951 flat angles P-C4'-P energy: -2.046 tors. eta vs tors. theta energy: -4.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 83 Temperature: 1.300000 Total energy: -29.649223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.649223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.649223 (E_RNA) where: Base-Base interactions energy: -9.130 where: short stacking energy: -9.130 Base-Backbone interact. energy: -0.006 local terms energy: -20.513834 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -4.531 flat angles P-C4'-P energy: -3.252 tors. eta vs tors. theta energy: -0.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 83 Temperature: 1.350000 Total energy: -33.448489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.448489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.448489 (E_RNA) where: Base-Base interactions energy: -8.907 where: short stacking energy: -8.907 Base-Backbone interact. energy: -0.009 local terms energy: -24.533236 where: bonds (distance) C4'-P energy: -4.603 bonds (distance) P-C4' energy: -5.830 flat angles C4'-P-C4' energy: -5.931 flat angles P-C4'-P energy: -4.037 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: 1, replica: 1 ===================================== Write number: 84 Temperature: 0.900000 Total energy: -44.764578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.764578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.764578 (E_RNA) where: Base-Base interactions energy: -17.901 where: short stacking energy: -17.901 Base-Backbone interact. energy: -0.001 local terms energy: -26.862804 where: bonds (distance) C4'-P energy: -6.044 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -6.010 flat angles P-C4'-P energy: -3.909 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: 2, replica: 4 ===================================== Write number: 84 Temperature: 0.950000 Total energy: -39.336217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.336217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.336217 (E_RNA) where: Base-Base interactions energy: -13.690 where: short stacking energy: -13.690 Base-Backbone interact. energy: -0.000 local terms energy: -25.646408 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -5.228 flat angles P-C4'-P energy: -5.241 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: 3, replica: 10 ===================================== Write number: 84 Temperature: 1.000000 Total energy: -36.105092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.105092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.105092 (E_RNA) where: Base-Base interactions energy: -14.147 where: short stacking energy: -14.147 Base-Backbone interact. energy: -0.009 local terms energy: -21.948372 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -6.513 flat angles P-C4'-P energy: -2.922 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: 4, replica: 2 ===================================== Write number: 84 Temperature: 1.050000 Total energy: -37.280289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.280289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.280289 (E_RNA) where: Base-Base interactions energy: -15.522 where: short stacking energy: -15.522 Base-Backbone interact. energy: -0.000 local terms energy: -21.758489 where: bonds (distance) C4'-P energy: -5.882 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -3.600 flat angles P-C4'-P energy: -2.172 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: 5, replica: 7 ===================================== Write number: 84 Temperature: 1.100000 Total energy: -32.674968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.674968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.674968 (E_RNA) where: Base-Base interactions energy: -12.352 where: short stacking energy: -12.352 Base-Backbone interact. energy: -0.088 local terms energy: -20.235171 where: bonds (distance) C4'-P energy: -2.578 bonds (distance) P-C4' energy: -5.730 flat angles C4'-P-C4' energy: -3.460 flat angles P-C4'-P energy: -5.665 tors. eta vs tors. theta energy: -2.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 84 Temperature: 1.150000 Total energy: -31.026358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.026358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.026358 (E_RNA) where: Base-Base interactions energy: -11.348 where: short stacking energy: -11.348 Base-Backbone interact. energy: -0.116 local terms energy: -19.562715 where: bonds (distance) C4'-P energy: -4.322 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -5.691 flat angles P-C4'-P energy: -2.552 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: 7, replica: 8 ===================================== Write number: 84 Temperature: 1.200000 Total energy: -31.613551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.613551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.613551 (E_RNA) where: Base-Base interactions energy: -10.039 where: short stacking energy: -10.039 Base-Backbone interact. energy: -0.000 local terms energy: -21.574320 where: bonds (distance) C4'-P energy: -6.453 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -4.092 flat angles P-C4'-P energy: -3.040 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: 5 ===================================== Write number: 84 Temperature: 1.250000 Total energy: -29.695613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.695613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.695613 (E_RNA) where: Base-Base interactions energy: -9.121 where: short stacking energy: -9.121 Base-Backbone interact. energy: -0.008 local terms energy: -20.566504 where: bonds (distance) C4'-P energy: -4.221 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -4.922 flat angles P-C4'-P energy: -4.601 tors. eta vs tors. theta energy: -0.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 84 Temperature: 1.300000 Total energy: -29.163030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.163030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.163030 (E_RNA) where: Base-Base interactions energy: -9.053 where: short stacking energy: -9.053 Base-Backbone interact. energy: -0.019 local terms energy: -20.091312 where: bonds (distance) C4'-P energy: -1.762 bonds (distance) P-C4' energy: -7.144 flat angles C4'-P-C4' energy: -5.141 flat angles P-C4'-P energy: -4.687 tors. eta vs tors. theta energy: -1.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 84 Temperature: 1.350000 Total energy: -29.920099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.920099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.920099 (E_RNA) where: Base-Base interactions energy: -7.300 where: short stacking energy: -7.178 Base-Backbone interact. energy: -1.202 local terms energy: -21.418531 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -5.898 flat angles P-C4'-P energy: -3.374 tors. eta vs tors. theta energy: 0.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 85 Temperature: 0.900000 Total energy: -43.988207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.988207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.988207 (E_RNA) where: Base-Base interactions energy: -17.481 where: short stacking energy: -17.481 Base-Backbone interact. energy: -0.010 local terms energy: -26.497896 where: bonds (distance) C4'-P energy: -5.650 bonds (distance) P-C4' energy: -5.896 flat angles C4'-P-C4' energy: -5.177 flat angles P-C4'-P energy: -5.140 tors. eta vs tors. theta energy: -4.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 85 Temperature: 0.950000 Total energy: -41.739350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.739350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.739350 (E_RNA) where: Base-Base interactions energy: -14.932 where: short stacking energy: -14.932 Base-Backbone interact. energy: -0.000 local terms energy: -26.807571 where: bonds (distance) C4'-P energy: -5.724 bonds (distance) P-C4' energy: -4.653 flat angles C4'-P-C4' energy: -4.245 flat angles P-C4'-P energy: -4.908 tors. eta vs tors. theta energy: -7.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 85 Temperature: 1.000000 Total energy: -33.921677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.921677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.921677 (E_RNA) where: Base-Base interactions energy: -15.461 where: short stacking energy: -15.461 Base-Backbone interact. energy: -0.000 local terms energy: -18.460637 where: bonds (distance) C4'-P energy: -5.617 bonds (distance) P-C4' energy: -5.466 flat angles C4'-P-C4' energy: -4.813 flat angles P-C4'-P energy: -2.626 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: 4, replica: 7 ===================================== Write number: 85 Temperature: 1.050000 Total energy: -35.771201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.771201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.771201 (E_RNA) where: Base-Base interactions energy: -12.293 where: short stacking energy: -12.293 Base-Backbone interact. energy: -0.000 local terms energy: -23.477937 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -5.136 flat angles P-C4'-P energy: -4.739 tors. eta vs tors. theta energy: -1.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 85 Temperature: 1.100000 Total energy: -36.583679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.583679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.583679 (E_RNA) where: Base-Base interactions energy: -12.065 where: short stacking energy: -12.065 Base-Backbone interact. energy: -0.000 local terms energy: -24.518702 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -4.934 flat angles P-C4'-P energy: -1.747 tors. eta vs tors. theta energy: -5.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 85 Temperature: 1.150000 Total energy: -31.644741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.644741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.644741 (E_RNA) where: Base-Base interactions energy: -9.999 where: short stacking energy: -9.999 Base-Backbone interact. energy: -0.001 local terms energy: -21.644867 where: bonds (distance) C4'-P energy: -4.152 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -5.778 flat angles P-C4'-P energy: -1.668 tors. eta vs tors. theta energy: -3.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 85 Temperature: 1.200000 Total energy: -30.546396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.546396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.546396 (E_RNA) where: Base-Base interactions energy: -7.565 where: short stacking energy: -7.565 Base-Backbone interact. energy: -0.026 local terms energy: -22.955576 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -5.550 flat angles P-C4'-P energy: -2.866 tors. eta vs tors. theta energy: -1.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 85 Temperature: 1.250000 Total energy: -32.626539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.626539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.626539 (E_RNA) where: Base-Base interactions energy: -8.345 where: short stacking energy: -8.345 Base-Backbone interact. energy: -0.000 local terms energy: -24.281869 where: bonds (distance) C4'-P energy: -5.357 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -5.469 flat angles P-C4'-P energy: -4.949 tors. eta vs tors. theta energy: -2.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 85 Temperature: 1.300000 Total energy: -26.342922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.342922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.342922 (E_RNA) where: Base-Base interactions energy: -9.758 where: short stacking energy: -9.569 Base-Backbone interact. energy: -0.074 local terms energy: -16.511353 where: bonds (distance) C4'-P energy: -5.368 bonds (distance) P-C4' energy: -4.649 flat angles C4'-P-C4' energy: -3.795 flat angles P-C4'-P energy: -1.593 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: 10, replica: 9 ===================================== Write number: 85 Temperature: 1.350000 Total energy: -32.119054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.119054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.119054 (E_RNA) where: Base-Base interactions energy: -13.379 where: short stacking energy: -13.379 Base-Backbone interact. energy: -0.002 local terms energy: -18.738264 where: bonds (distance) C4'-P energy: -4.756 bonds (distance) P-C4' energy: -3.838 flat angles C4'-P-C4' energy: -5.534 flat angles P-C4'-P energy: -3.921 tors. eta vs tors. theta energy: -0.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 86 Temperature: 0.900000 Total energy: -41.084886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.084886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.084886 (E_RNA) where: Base-Base interactions energy: -19.320 where: short stacking energy: -19.320 Base-Backbone interact. energy: -0.018 local terms energy: -21.746813 where: bonds (distance) C4'-P energy: -4.504 bonds (distance) P-C4' energy: -5.826 flat angles C4'-P-C4' energy: -5.141 flat angles P-C4'-P energy: -3.849 tors. eta vs tors. theta energy: -2.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 86 Temperature: 0.950000 Total energy: -36.035459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.035459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.035459 (E_RNA) where: Base-Base interactions energy: -12.984 where: short stacking energy: -12.984 Base-Backbone interact. energy: -0.001 local terms energy: -23.050237 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -6.382 flat angles C4'-P-C4' energy: -4.776 flat angles P-C4'-P energy: -3.453 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: 3, replica: 4 ===================================== Write number: 86 Temperature: 1.000000 Total energy: -33.703869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.703869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.703869 (E_RNA) where: Base-Base interactions energy: -12.240 where: short stacking energy: -12.240 Base-Backbone interact. energy: -0.100 local terms energy: -21.364212 where: bonds (distance) C4'-P energy: -3.514 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -6.854 flat angles P-C4'-P energy: -2.262 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: 4, replica: 7 ===================================== Write number: 86 Temperature: 1.050000 Total energy: -37.009535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.009535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.009535 (E_RNA) where: Base-Base interactions energy: -14.225 where: short stacking energy: -14.225 Base-Backbone interact. energy: -0.126 local terms energy: -22.659147 where: bonds (distance) C4'-P energy: -4.690 bonds (distance) P-C4' energy: -6.189 flat angles C4'-P-C4' energy: -5.574 flat angles P-C4'-P energy: -3.850 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: 5, replica: 8 ===================================== Write number: 86 Temperature: 1.100000 Total energy: -36.991269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.991269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.991269 (E_RNA) where: Base-Base interactions energy: -12.723 where: short stacking energy: -12.723 Base-Backbone interact. energy: 0.914 local terms energy: -25.182146 where: bonds (distance) C4'-P energy: -5.055 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -3.883 flat angles P-C4'-P energy: -5.223 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: 6, replica: 2 ===================================== Write number: 86 Temperature: 1.150000 Total energy: -35.291308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.291308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.291308 (E_RNA) where: Base-Base interactions energy: -11.050 where: short stacking energy: -11.050 Base-Backbone interact. energy: -0.016 local terms energy: -24.224964 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -6.080 flat angles P-C4'-P energy: -2.200 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: 7, replica: 6 ===================================== Write number: 86 Temperature: 1.200000 Total energy: -36.812418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.812418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.812418 (E_RNA) where: Base-Base interactions energy: -16.482 where: short stacking energy: -16.482 Base-Backbone interact. energy: -0.008 local terms energy: -20.322603 where: bonds (distance) C4'-P energy: -5.021 bonds (distance) P-C4' energy: -5.071 flat angles C4'-P-C4' energy: -4.243 flat angles P-C4'-P energy: -3.796 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: 8, replica: 3 ===================================== Write number: 86 Temperature: 1.250000 Total energy: -32.117627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.117627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.117627 (E_RNA) where: Base-Base interactions energy: -9.276 where: short stacking energy: -9.276 Base-Backbone interact. energy: -0.001 local terms energy: -22.840991 where: bonds (distance) C4'-P energy: -3.638 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -5.884 flat angles P-C4'-P energy: -4.423 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: 9 ===================================== Write number: 86 Temperature: 1.300000 Total energy: -29.690751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.690751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.690751 (E_RNA) where: Base-Base interactions energy: -8.076 where: short stacking energy: -8.076 Base-Backbone interact. energy: -0.070 local terms energy: -21.545096 where: bonds (distance) C4'-P energy: -3.812 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -2.646 flat angles P-C4'-P energy: -4.367 tors. eta vs tors. theta energy: -4.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 86 Temperature: 1.350000 Total energy: -29.635663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.635663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.635663 (E_RNA) where: Base-Base interactions energy: -11.504 where: short stacking energy: -11.504 Base-Backbone interact. energy: -0.022 local terms energy: -18.109883 where: bonds (distance) C4'-P energy: -4.168 bonds (distance) P-C4' energy: -5.327 flat angles C4'-P-C4' energy: -5.387 flat angles P-C4'-P energy: -3.939 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: 1, replica: 10 ===================================== Write number: 87 Temperature: 0.900000 Total energy: -38.825890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.825890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.825890 (E_RNA) where: Base-Base interactions energy: -14.417 where: short stacking energy: -14.417 Base-Backbone interact. energy: -0.047 local terms energy: -24.362121 where: bonds (distance) C4'-P energy: -5.411 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -4.431 flat angles P-C4'-P energy: -4.495 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: 2, replica: 4 ===================================== Write number: 87 Temperature: 0.950000 Total energy: -35.867892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.867892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.867892 (E_RNA) where: Base-Base interactions energy: -12.716 where: short stacking energy: -12.716 Base-Backbone interact. energy: -0.011 local terms energy: -23.140825 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -7.144 flat angles C4'-P-C4' energy: -6.297 flat angles P-C4'-P energy: -5.515 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: 3, replica: 1 ===================================== Write number: 87 Temperature: 1.000000 Total energy: -36.649842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.649842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.649842 (E_RNA) where: Base-Base interactions energy: -9.428 where: short stacking energy: -9.428 Base-Backbone interact. energy: -0.020 local terms energy: -27.202294 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -6.290 flat angles P-C4'-P energy: -4.203 tors. eta vs tors. theta energy: -4.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 87 Temperature: 1.050000 Total energy: -33.359601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.359601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.359601 (E_RNA) where: Base-Base interactions energy: -9.230 where: short stacking energy: -8.449 Base-Backbone interact. energy: -0.000 local terms energy: -24.129397 where: bonds (distance) C4'-P energy: -4.975 bonds (distance) P-C4' energy: -5.956 flat angles C4'-P-C4' energy: -5.461 flat angles P-C4'-P energy: -4.968 tors. eta vs tors. theta energy: -2.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 87 Temperature: 1.100000 Total energy: -42.074092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.074092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.074092 (E_RNA) where: Base-Base interactions energy: -17.070 where: short stacking energy: -17.070 Base-Backbone interact. energy: -0.001 local terms energy: -25.003231 where: bonds (distance) C4'-P energy: -3.841 bonds (distance) P-C4' energy: -6.625 flat angles C4'-P-C4' energy: -6.276 flat angles P-C4'-P energy: -3.687 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: 6, replica: 6 ===================================== Write number: 87 Temperature: 1.150000 Total energy: -31.739243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.739243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.739243 (E_RNA) where: Base-Base interactions energy: -12.564 where: short stacking energy: -12.564 Base-Backbone interact. energy: -0.067 local terms energy: -19.108568 where: bonds (distance) C4'-P energy: -4.619 bonds (distance) P-C4' energy: -3.978 flat angles C4'-P-C4' energy: -4.197 flat angles P-C4'-P energy: -4.090 tors. eta vs tors. theta energy: -2.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 87 Temperature: 1.200000 Total energy: -32.446128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.446128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.446128 (E_RNA) where: Base-Base interactions energy: -8.727 where: short stacking energy: -8.727 Base-Backbone interact. energy: -0.000 local terms energy: -23.719469 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -4.547 flat angles P-C4'-P energy: -3.235 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: 8, replica: 9 ===================================== Write number: 87 Temperature: 1.250000 Total energy: -34.043830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.043830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.043830 (E_RNA) where: Base-Base interactions energy: -13.884 where: short stacking energy: -13.884 Base-Backbone interact. energy: -0.040 local terms energy: -20.119374 where: bonds (distance) C4'-P energy: -5.125 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -4.468 flat angles P-C4'-P energy: -3.008 tors. eta vs tors. theta energy: -1.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 87 Temperature: 1.300000 Total energy: -28.785550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.785550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.785550 (E_RNA) where: Base-Base interactions energy: -7.601 where: short stacking energy: -7.601 Base-Backbone interact. energy: -0.368 local terms energy: -20.816474 where: bonds (distance) C4'-P energy: -5.109 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -5.215 flat angles P-C4'-P energy: -2.349 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: 10, replica: 5 ===================================== Write number: 87 Temperature: 1.350000 Total energy: -29.326575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.326575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.326575 (E_RNA) where: Base-Base interactions energy: -12.444 where: short stacking energy: -12.444 Base-Backbone interact. energy: -0.076 local terms energy: -16.806400 where: bonds (distance) C4'-P energy: -4.806 bonds (distance) P-C4' energy: -4.914 flat angles C4'-P-C4' energy: -4.989 flat angles P-C4'-P energy: -2.950 tors. eta vs tors. theta energy: 0.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 88 Temperature: 0.900000 Total energy: -35.503246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.503246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.503246 (E_RNA) where: Base-Base interactions energy: -13.051 where: short stacking energy: -13.051 Base-Backbone interact. energy: -0.114 local terms energy: -22.338678 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.389 flat angles C4'-P-C4' energy: -5.003 flat angles P-C4'-P energy: -5.187 tors. eta vs tors. theta energy: 0.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 88 Temperature: 0.950000 Total energy: -38.235154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.235154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.235154 (E_RNA) where: Base-Base interactions energy: -15.053 where: short stacking energy: -15.053 Base-Backbone interact. energy: -0.000 local terms energy: -23.181645 where: bonds (distance) C4'-P energy: -4.645 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -4.582 flat angles P-C4'-P energy: -4.830 tors. eta vs tors. theta energy: -2.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 88 Temperature: 1.000000 Total energy: -31.072641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.072641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.072641 (E_RNA) where: Base-Base interactions energy: -6.804 where: short stacking energy: -6.804 Base-Backbone interact. energy: -0.011 local terms energy: -24.257761 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -5.590 flat angles P-C4'-P energy: -4.418 tors. eta vs tors. theta energy: -2.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 88 Temperature: 1.050000 Total energy: -35.966700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.966700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.966700 (E_RNA) where: Base-Base interactions energy: -11.449 where: short stacking energy: -11.449 Base-Backbone interact. energy: -0.266 local terms energy: -24.252038 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -2.154 flat angles P-C4'-P energy: -3.708 tors. eta vs tors. theta energy: -5.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 88 Temperature: 1.100000 Total energy: -35.043609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.043609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.043609 (E_RNA) where: Base-Base interactions energy: -13.527 where: short stacking energy: -13.527 Base-Backbone interact. energy: -0.076 local terms energy: -21.441101 where: bonds (distance) C4'-P energy: -4.513 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -6.089 flat angles P-C4'-P energy: -3.614 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: 6, replica: 7 ===================================== Write number: 88 Temperature: 1.150000 Total energy: -32.766474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.766474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.766474 (E_RNA) where: Base-Base interactions energy: -10.132 where: short stacking energy: -10.132 Base-Backbone interact. energy: -0.020 local terms energy: -22.614534 where: bonds (distance) C4'-P energy: -5.075 bonds (distance) P-C4' energy: -4.854 flat angles C4'-P-C4' energy: -5.185 flat angles P-C4'-P energy: -4.701 tors. eta vs tors. theta energy: -2.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 88 Temperature: 1.200000 Total energy: -29.787583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.787583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.787583 (E_RNA) where: Base-Base interactions energy: -9.998 where: short stacking energy: -9.998 Base-Backbone interact. energy: -0.029 local terms energy: -19.760168 where: bonds (distance) C4'-P energy: -3.813 bonds (distance) P-C4' energy: -5.699 flat angles C4'-P-C4' energy: -5.536 flat angles P-C4'-P energy: -4.645 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: 2 ===================================== Write number: 88 Temperature: 1.250000 Total energy: -31.875142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.875142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.875142 (E_RNA) where: Base-Base interactions energy: -9.702 where: short stacking energy: -9.702 Base-Backbone interact. energy: -0.082 local terms energy: -22.091829 where: bonds (distance) C4'-P energy: -4.587 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -6.110 flat angles P-C4'-P energy: -3.596 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: 5 ===================================== Write number: 88 Temperature: 1.300000 Total energy: -31.998465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.998465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.998465 (E_RNA) where: Base-Base interactions energy: -11.792 where: short stacking energy: -11.792 Base-Backbone interact. energy: -0.052 local terms energy: -20.154880 where: bonds (distance) C4'-P energy: -3.717 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -6.074 flat angles P-C4'-P energy: -3.377 tors. eta vs tors. theta energy: -0.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 88 Temperature: 1.350000 Total energy: -31.675487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.675487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.675487 (E_RNA) where: Base-Base interactions energy: -9.171 where: short stacking energy: -9.171 Base-Backbone interact. energy: -0.045 local terms energy: -22.460079 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -5.767 flat angles C4'-P-C4' energy: -5.667 flat angles P-C4'-P energy: -4.817 tors. eta vs tors. theta energy: -0.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 89 Temperature: 0.900000 Total energy: -41.901851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.901851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.901851 (E_RNA) where: Base-Base interactions energy: -17.645 where: short stacking energy: -17.645 Base-Backbone interact. energy: -0.065 local terms energy: -24.191600 where: bonds (distance) C4'-P energy: -5.509 bonds (distance) P-C4' energy: -3.683 flat angles C4'-P-C4' energy: -5.936 flat angles P-C4'-P energy: -3.355 tors. eta vs tors. theta energy: -5.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 89 Temperature: 0.950000 Total energy: -41.858585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.858585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.858585 (E_RNA) where: Base-Base interactions energy: -18.907 where: short stacking energy: -18.907 Base-Backbone interact. energy: -0.000 local terms energy: -22.951120 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -3.466 flat angles P-C4'-P energy: -4.463 tors. eta vs tors. theta energy: -2.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 89 Temperature: 1.000000 Total energy: -40.160190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.160190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.160190 (E_RNA) where: Base-Base interactions energy: -16.730 where: short stacking energy: -16.730 Base-Backbone interact. energy: -0.027 local terms energy: -23.403538 where: bonds (distance) C4'-P energy: -4.665 bonds (distance) P-C4' energy: -4.854 flat angles C4'-P-C4' energy: -4.912 flat angles P-C4'-P energy: -5.086 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: 4, replica: 6 ===================================== Write number: 89 Temperature: 1.050000 Total energy: -31.787343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.787343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.787343 (E_RNA) where: Base-Base interactions energy: -9.237 where: short stacking energy: -9.237 Base-Backbone interact. energy: -0.002 local terms energy: -22.548527 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -4.884 flat angles P-C4'-P energy: -4.964 tors. eta vs tors. theta energy: -0.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 89 Temperature: 1.100000 Total energy: -40.822925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.822925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.822925 (E_RNA) where: Base-Base interactions energy: -12.473 where: short stacking energy: -12.473 Base-Backbone interact. energy: -0.000 local terms energy: -28.350302 where: bonds (distance) C4'-P energy: -4.256 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -5.802 flat angles P-C4'-P energy: -5.808 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: 6, replica: 9 ===================================== Write number: 89 Temperature: 1.150000 Total energy: -32.538559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.538559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.538559 (E_RNA) where: Base-Base interactions energy: -12.042 where: short stacking energy: -12.042 Base-Backbone interact. energy: -0.000 local terms energy: -20.496431 where: bonds (distance) C4'-P energy: -4.135 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -3.470 flat angles P-C4'-P energy: -4.037 tors. eta vs tors. theta energy: -3.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 89 Temperature: 1.200000 Total energy: -30.335647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.335647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.335647 (E_RNA) where: Base-Base interactions energy: -14.530 where: short stacking energy: -14.530 Base-Backbone interact. energy: 0.639 local terms energy: -16.444499 where: bonds (distance) C4'-P energy: -2.251 bonds (distance) P-C4' energy: -4.466 flat angles C4'-P-C4' energy: -6.400 flat angles P-C4'-P energy: -0.387 tors. eta vs tors. theta energy: -2.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 89 Temperature: 1.250000 Total energy: -30.021526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.021526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.021526 (E_RNA) where: Base-Base interactions energy: -9.115 where: short stacking energy: -9.115 Base-Backbone interact. energy: -0.000 local terms energy: -20.905726 where: bonds (distance) C4'-P energy: -5.340 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -5.989 flat angles P-C4'-P energy: -3.540 tors. eta vs tors. theta energy: 0.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 89 Temperature: 1.300000 Total energy: -29.716848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.716848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.716848 (E_RNA) where: Base-Base interactions energy: -9.212 where: short stacking energy: -9.212 Base-Backbone interact. energy: -0.042 local terms energy: -20.462724 where: bonds (distance) C4'-P energy: -3.630 bonds (distance) P-C4' energy: -6.886 flat angles C4'-P-C4' energy: -5.605 flat angles P-C4'-P energy: -2.660 tors. eta vs tors. theta energy: -1.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 89 Temperature: 1.350000 Total energy: -32.840435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.840435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.840435 (E_RNA) where: Base-Base interactions energy: -11.328 where: short stacking energy: -11.328 Base-Backbone interact. energy: -0.000 local terms energy: -21.512474 where: bonds (distance) C4'-P energy: -6.060 bonds (distance) P-C4' energy: -4.880 flat angles C4'-P-C4' energy: -5.506 flat angles P-C4'-P energy: -3.356 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: 1, replica: 8 ===================================== Write number: 90 Temperature: 0.900000 Total energy: -42.616412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.616412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.616412 (E_RNA) where: Base-Base interactions energy: -17.979 where: short stacking energy: -17.979 Base-Backbone interact. energy: -0.002 local terms energy: -24.635724 where: bonds (distance) C4'-P energy: -3.203 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -6.696 flat angles P-C4'-P energy: -4.016 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: 2, replica: 4 ===================================== Write number: 90 Temperature: 0.950000 Total energy: -40.953560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.953560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.953560 (E_RNA) where: Base-Base interactions energy: -16.835 where: short stacking energy: -16.835 Base-Backbone interact. energy: -0.000 local terms energy: -24.118665 where: bonds (distance) C4'-P energy: -5.171 bonds (distance) P-C4' energy: -5.956 flat angles C4'-P-C4' energy: -4.735 flat angles P-C4'-P energy: -4.648 tors. eta vs tors. theta energy: -3.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 90 Temperature: 1.000000 Total energy: -37.345769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.345769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.345769 (E_RNA) where: Base-Base interactions energy: -13.484 where: short stacking energy: -13.484 Base-Backbone interact. energy: -0.000 local terms energy: -23.861863 where: bonds (distance) C4'-P energy: -4.807 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -5.266 flat angles P-C4'-P energy: -3.366 tors. eta vs tors. theta energy: -3.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 90 Temperature: 1.050000 Total energy: -38.016254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.016254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.016254 (E_RNA) where: Base-Base interactions energy: -15.088 where: short stacking energy: -15.088 Base-Backbone interact. energy: -0.001 local terms energy: -22.926920 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -5.679 flat angles P-C4'-P energy: -2.281 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: 5, replica: 9 ===================================== Write number: 90 Temperature: 1.100000 Total energy: -35.731287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.731287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.731287 (E_RNA) where: Base-Base interactions energy: -12.013 where: short stacking energy: -12.013 Base-Backbone interact. energy: -0.000 local terms energy: -23.718738 where: bonds (distance) C4'-P energy: -4.872 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.785 flat angles P-C4'-P energy: -2.434 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: 6, replica: 1 ===================================== Write number: 90 Temperature: 1.150000 Total energy: -34.103664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.103664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.103664 (E_RNA) where: Base-Base interactions energy: -11.467 where: short stacking energy: -11.467 Base-Backbone interact. energy: -0.000 local terms energy: -22.635974 where: bonds (distance) C4'-P energy: -5.998 bonds (distance) P-C4' energy: -5.364 flat angles C4'-P-C4' energy: -3.643 flat angles P-C4'-P energy: -4.563 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: 7, replica: 5 ===================================== Write number: 90 Temperature: 1.200000 Total energy: -36.863606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.863606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.863606 (E_RNA) where: Base-Base interactions energy: -13.479 where: short stacking energy: -13.479 Base-Backbone interact. energy: -0.001 local terms energy: -23.384183 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -4.308 flat angles P-C4'-P energy: -3.923 tors. eta vs tors. theta energy: -2.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 90 Temperature: 1.250000 Total energy: -41.031575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.031575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.031575 (E_RNA) where: Base-Base interactions energy: -17.536 where: short stacking energy: -17.536 Base-Backbone interact. energy: -0.000 local terms energy: -23.495382 where: bonds (distance) C4'-P energy: -4.773 bonds (distance) P-C4' energy: -6.206 flat angles C4'-P-C4' energy: -5.941 flat angles P-C4'-P energy: -2.435 tors. eta vs tors. theta energy: -4.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 90 Temperature: 1.300000 Total energy: -29.291518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.291518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.291518 (E_RNA) where: Base-Base interactions energy: -8.390 where: short stacking energy: -8.390 Base-Backbone interact. energy: -0.005 local terms energy: -20.896406 where: bonds (distance) C4'-P energy: -5.882 bonds (distance) P-C4' energy: -5.763 flat angles C4'-P-C4' energy: -4.204 flat angles P-C4'-P energy: -3.348 tors. eta vs tors. theta energy: -1.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 90 Temperature: 1.350000 Total energy: -32.094074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.094074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.094074 (E_RNA) where: Base-Base interactions energy: -7.777 where: short stacking energy: -7.777 Base-Backbone interact. energy: -0.100 local terms energy: -24.216645 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -3.446 flat angles P-C4'-P energy: -5.051 tors. eta vs tors. theta energy: -2.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 91 Temperature: 0.900000 Total energy: -35.055649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.055649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.055649 (E_RNA) where: Base-Base interactions energy: -13.631 where: short stacking energy: -13.631 Base-Backbone interact. energy: -0.000 local terms energy: -21.424893 where: bonds (distance) C4'-P energy: -5.600 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -5.270 flat angles P-C4'-P energy: -3.635 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: 2, replica: 6 ===================================== Write number: 91 Temperature: 0.950000 Total energy: -40.209969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.209969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.209969 (E_RNA) where: Base-Base interactions energy: -14.045 where: short stacking energy: -14.045 Base-Backbone interact. energy: -0.001 local terms energy: -26.164330 where: bonds (distance) C4'-P energy: -4.781 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -6.523 flat angles P-C4'-P energy: -4.955 tors. eta vs tors. theta energy: -3.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 91 Temperature: 1.000000 Total energy: -36.388074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.388074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.388074 (E_RNA) where: Base-Base interactions energy: -12.173 where: short stacking energy: -12.173 Base-Backbone interact. energy: -0.140 local terms energy: -24.074557 where: bonds (distance) C4'-P energy: -4.872 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.418 flat angles P-C4'-P energy: -4.181 tors. eta vs tors. theta energy: -2.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 91 Temperature: 1.050000 Total energy: -30.060905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.060905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.060905 (E_RNA) where: Base-Base interactions energy: -7.904 where: short stacking energy: -7.904 Base-Backbone interact. energy: -0.000 local terms energy: -22.156070 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.829 flat angles P-C4'-P energy: -3.001 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: 5, replica: 10 ===================================== Write number: 91 Temperature: 1.100000 Total energy: -29.183224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.183224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.183224 (E_RNA) where: Base-Base interactions energy: -9.262 where: short stacking energy: -9.262 Base-Backbone interact. energy: -0.034 local terms energy: -19.887432 where: bonds (distance) C4'-P energy: -5.137 bonds (distance) P-C4' energy: -5.506 flat angles C4'-P-C4' energy: -5.955 flat angles P-C4'-P energy: -4.526 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: 6, replica: 1 ===================================== Write number: 91 Temperature: 1.150000 Total energy: -28.476152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.476152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.476152 (E_RNA) where: Base-Base interactions energy: -9.953 where: short stacking energy: -9.953 Base-Backbone interact. energy: -0.007 local terms energy: -18.515610 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -5.110 flat angles C4'-P-C4' energy: -4.914 flat angles P-C4'-P energy: -4.623 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: 7, replica: 5 ===================================== Write number: 91 Temperature: 1.200000 Total energy: -31.172377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.172377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.172377 (E_RNA) where: Base-Base interactions energy: -11.641 where: short stacking energy: -11.641 Base-Backbone interact. energy: -0.003 local terms energy: -19.529208 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -5.153 flat angles C4'-P-C4' energy: -5.884 flat angles P-C4'-P energy: -3.248 tors. eta vs tors. theta energy: 0.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 91 Temperature: 1.250000 Total energy: -30.203271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.203271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.203271 (E_RNA) where: Base-Base interactions energy: -8.580 where: short stacking energy: -8.580 Base-Backbone interact. energy: -0.318 local terms energy: -21.305802 where: bonds (distance) C4'-P energy: -4.665 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -4.241 flat angles P-C4'-P energy: -3.843 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: 9, replica: 7 ===================================== Write number: 91 Temperature: 1.300000 Total energy: -27.739005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.739005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.739005 (E_RNA) where: Base-Base interactions energy: -9.035 where: short stacking energy: -9.035 Base-Backbone interact. energy: -0.002 local terms energy: -18.701989 where: bonds (distance) C4'-P energy: -4.330 bonds (distance) P-C4' energy: -5.681 flat angles C4'-P-C4' energy: -5.779 flat angles P-C4'-P energy: -3.072 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: 2 ===================================== Write number: 91 Temperature: 1.350000 Total energy: -29.823425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.823425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.823425 (E_RNA) where: Base-Base interactions energy: -9.958 where: short stacking energy: -9.958 Base-Backbone interact. energy: 0.760 local terms energy: -20.625853 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -4.606 flat angles P-C4'-P energy: -3.797 tors. eta vs tors. theta energy: 0.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 92 Temperature: 0.900000 Total energy: -43.075196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.075196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.075196 (E_RNA) where: Base-Base interactions energy: -17.267 where: short stacking energy: -17.267 Base-Backbone interact. energy: -0.007 local terms energy: -25.801005 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -5.800 flat angles P-C4'-P energy: -5.024 tors. eta vs tors. theta energy: -3.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 92 Temperature: 0.950000 Total energy: -40.479826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.479826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.479826 (E_RNA) where: Base-Base interactions energy: -16.532 where: short stacking energy: -16.532 Base-Backbone interact. energy: -0.005 local terms energy: -23.943116 where: bonds (distance) C4'-P energy: -4.632 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -4.969 flat angles P-C4'-P energy: -3.663 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: 3, replica: 9 ===================================== Write number: 92 Temperature: 1.000000 Total energy: -39.610580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.610580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.610580 (E_RNA) where: Base-Base interactions energy: -10.595 where: short stacking energy: -10.595 Base-Backbone interact. energy: -0.000 local terms energy: -29.015233 where: bonds (distance) C4'-P energy: -5.866 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -4.754 flat angles P-C4'-P energy: -4.389 tors. eta vs tors. theta energy: -7.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 92 Temperature: 1.050000 Total energy: -37.864608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.864608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.864608 (E_RNA) where: Base-Base interactions energy: -11.739 where: short stacking energy: -11.739 Base-Backbone interact. energy: -0.003 local terms energy: -26.122901 where: bonds (distance) C4'-P energy: -5.137 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -5.549 flat angles P-C4'-P energy: -3.590 tors. eta vs tors. theta energy: -5.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 92 Temperature: 1.100000 Total energy: -33.654756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.654756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.654756 (E_RNA) where: Base-Base interactions energy: -13.147 where: short stacking energy: -13.147 Base-Backbone interact. energy: -0.000 local terms energy: -20.507924 where: bonds (distance) C4'-P energy: -4.781 bonds (distance) P-C4' energy: -4.614 flat angles C4'-P-C4' energy: -5.758 flat angles P-C4'-P energy: -5.079 tors. eta vs tors. theta energy: -0.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 92 Temperature: 1.150000 Total energy: -33.753736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.753736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.753736 (E_RNA) where: Base-Base interactions energy: -10.994 where: short stacking energy: -10.994 Base-Backbone interact. energy: -0.025 local terms energy: -22.734656 where: bonds (distance) C4'-P energy: -5.411 bonds (distance) P-C4' energy: -6.457 flat angles C4'-P-C4' energy: -5.148 flat angles P-C4'-P energy: -5.372 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: 7, replica: 3 ===================================== Write number: 92 Temperature: 1.200000 Total energy: -32.440288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.440288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.440288 (E_RNA) where: Base-Base interactions energy: -10.429 where: short stacking energy: -10.429 Base-Backbone interact. energy: -0.000 local terms energy: -22.011146 where: bonds (distance) C4'-P energy: -4.611 bonds (distance) P-C4' energy: -6.873 flat angles C4'-P-C4' energy: -4.361 flat angles P-C4'-P energy: -2.439 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: 8, replica: 5 ===================================== Write number: 92 Temperature: 1.250000 Total energy: -29.266843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.266843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.266843 (E_RNA) where: Base-Base interactions energy: -11.306 where: short stacking energy: -11.306 Base-Backbone interact. energy: -0.000 local terms energy: -17.960703 where: bonds (distance) C4'-P energy: -5.608 bonds (distance) P-C4' energy: -5.515 flat angles C4'-P-C4' energy: 0.456 flat angles P-C4'-P energy: -4.020 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: 2 ===================================== Write number: 92 Temperature: 1.300000 Total energy: -33.604741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.604741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.604741 (E_RNA) where: Base-Base interactions energy: -12.166 where: short stacking energy: -12.166 Base-Backbone interact. energy: -0.013 local terms energy: -21.425228 where: bonds (distance) C4'-P energy: -4.292 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -6.152 flat angles P-C4'-P energy: -2.465 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: 10, replica: 7 ===================================== Write number: 92 Temperature: 1.350000 Total energy: -28.410545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.410545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.410545 (E_RNA) where: Base-Base interactions energy: -10.492 where: short stacking energy: -10.492 Base-Backbone interact. energy: -0.012 local terms energy: -17.906409 where: bonds (distance) C4'-P energy: -5.998 bonds (distance) P-C4' energy: -5.076 flat angles C4'-P-C4' energy: -4.838 flat angles P-C4'-P energy: -1.973 tors. eta vs tors. theta energy: -0.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 93 Temperature: 0.900000 Total energy: -34.087467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.087467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.087467 (E_RNA) where: Base-Base interactions energy: -13.924 where: short stacking energy: -13.924 Base-Backbone interact. energy: -0.070 local terms energy: -20.093270 where: bonds (distance) C4'-P energy: -5.473 bonds (distance) P-C4' energy: -5.143 flat angles C4'-P-C4' energy: -5.082 flat angles P-C4'-P energy: -3.638 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: 2, replica: 9 ===================================== Write number: 93 Temperature: 0.950000 Total energy: -39.622028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.622028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.622028 (E_RNA) where: Base-Base interactions energy: -14.226 where: short stacking energy: -14.226 Base-Backbone interact. energy: 0.089 local terms energy: -25.484537 where: bonds (distance) C4'-P energy: -6.006 bonds (distance) P-C4' energy: -5.730 flat angles C4'-P-C4' energy: -5.629 flat angles P-C4'-P energy: -4.519 tors. eta vs tors. theta energy: -3.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 93 Temperature: 1.000000 Total energy: -39.061438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.061438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.061438 (E_RNA) where: Base-Base interactions energy: -15.106 where: short stacking energy: -15.106 Base-Backbone interact. energy: -0.053 local terms energy: -23.903075 where: bonds (distance) C4'-P energy: -5.543 bonds (distance) P-C4' energy: -6.118 flat angles C4'-P-C4' energy: -5.037 flat angles P-C4'-P energy: -3.638 tors. eta vs tors. theta energy: -3.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 93 Temperature: 1.050000 Total energy: -38.350305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.350305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.350305 (E_RNA) where: Base-Base interactions energy: -11.201 where: short stacking energy: -11.201 Base-Backbone interact. energy: -0.003 local terms energy: -27.145509 where: bonds (distance) C4'-P energy: -5.348 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -5.944 flat angles P-C4'-P energy: -4.444 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: 4 ===================================== Write number: 93 Temperature: 1.100000 Total energy: -39.390082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.390082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.390082 (E_RNA) where: Base-Base interactions energy: -13.226 where: short stacking energy: -13.226 Base-Backbone interact. energy: -0.034 local terms energy: -26.130149 where: bonds (distance) C4'-P energy: -5.484 bonds (distance) P-C4' energy: -6.622 flat angles C4'-P-C4' energy: -4.582 flat angles P-C4'-P energy: -5.190 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: 3 ===================================== Write number: 93 Temperature: 1.150000 Total energy: -40.433540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.433540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.433540 (E_RNA) where: Base-Base interactions energy: -12.857 where: short stacking energy: -13.315 Base-Backbone interact. energy: -0.739 local terms energy: -26.837698 where: bonds (distance) C4'-P energy: -5.572 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -5.463 flat angles P-C4'-P energy: -4.352 tors. eta vs tors. theta energy: -5.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 93 Temperature: 1.200000 Total energy: -30.103516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.103516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.103516 (E_RNA) where: Base-Base interactions energy: -8.143 where: short stacking energy: -8.143 Base-Backbone interact. energy: -0.055 local terms energy: -21.905923 where: bonds (distance) C4'-P energy: -3.910 bonds (distance) P-C4' energy: -5.537 flat angles C4'-P-C4' energy: -5.781 flat angles P-C4'-P energy: -4.621 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: 8, replica: 2 ===================================== Write number: 93 Temperature: 1.250000 Total energy: -33.455316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.455316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.455316 (E_RNA) where: Base-Base interactions energy: -10.768 where: short stacking energy: -12.095 Base-Backbone interact. energy: -0.003 local terms energy: -22.684261 where: bonds (distance) C4'-P energy: -5.484 bonds (distance) P-C4' energy: -5.497 flat angles C4'-P-C4' energy: -5.049 flat angles P-C4'-P energy: -3.029 tors. eta vs tors. theta energy: -3.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 93 Temperature: 1.300000 Total energy: -27.611034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.611034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.611034 (E_RNA) where: Base-Base interactions energy: -6.873 where: short stacking energy: -6.873 Base-Backbone interact. energy: -0.001 local terms energy: -20.736732 where: bonds (distance) C4'-P energy: -4.230 bonds (distance) P-C4' energy: -4.910 flat angles C4'-P-C4' energy: -5.780 flat angles P-C4'-P energy: -3.994 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: 7 ===================================== Write number: 93 Temperature: 1.350000 Total energy: -29.185828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.185828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.185828 (E_RNA) where: Base-Base interactions energy: -7.565 where: short stacking energy: -7.565 Base-Backbone interact. energy: -0.001 local terms energy: -21.620336 where: bonds (distance) C4'-P energy: -4.797 bonds (distance) P-C4' energy: -5.586 flat angles C4'-P-C4' energy: -6.519 flat angles P-C4'-P energy: -4.392 tors. eta vs tors. theta energy: -0.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 94 Temperature: 0.900000 Total energy: -39.960609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.960609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.960609 (E_RNA) where: Base-Base interactions energy: -16.046 where: short stacking energy: -16.046 Base-Backbone interact. energy: -0.000 local terms energy: -23.914626 where: bonds (distance) C4'-P energy: -5.261 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -5.764 flat angles P-C4'-P energy: -3.814 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: 2, replica: 6 ===================================== Write number: 94 Temperature: 0.950000 Total energy: -33.876682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.876682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.876682 (E_RNA) where: Base-Base interactions energy: -11.882 where: short stacking energy: -11.882 Base-Backbone interact. energy: -0.001 local terms energy: -21.993755 where: bonds (distance) C4'-P energy: -6.044 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.456 flat angles P-C4'-P energy: -2.000 tors. eta vs tors. theta energy: -1.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 94 Temperature: 1.000000 Total energy: -39.641164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.641164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.641164 (E_RNA) where: Base-Base interactions energy: -16.327 where: short stacking energy: -16.327 Base-Backbone interact. energy: 0.062 local terms energy: -23.375849 where: bonds (distance) C4'-P energy: -4.988 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -6.309 flat angles P-C4'-P energy: -2.625 tors. eta vs tors. theta energy: -3.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 94 Temperature: 1.050000 Total energy: -33.755794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.755794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.755794 (E_RNA) where: Base-Base interactions energy: -11.171 where: short stacking energy: -11.171 Base-Backbone interact. energy: -0.000 local terms energy: -22.584293 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -5.279 flat angles C4'-P-C4' energy: -4.690 flat angles P-C4'-P energy: -2.665 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: 5, replica: 3 ===================================== Write number: 94 Temperature: 1.100000 Total energy: -31.520569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.520569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.520569 (E_RNA) where: Base-Base interactions energy: -12.050 where: short stacking energy: -12.050 Base-Backbone interact. energy: -0.000 local terms energy: -19.469790 where: bonds (distance) C4'-P energy: -5.419 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.389 flat angles P-C4'-P energy: -2.694 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: 4 ===================================== Write number: 94 Temperature: 1.150000 Total energy: -32.322012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.322012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.322012 (E_RNA) where: Base-Base interactions energy: -9.967 where: short stacking energy: -9.967 Base-Backbone interact. energy: -0.070 local terms energy: -22.284370 where: bonds (distance) C4'-P energy: -4.384 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.906 flat angles P-C4'-P energy: -5.150 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: 7, replica: 2 ===================================== Write number: 94 Temperature: 1.200000 Total energy: -36.668034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.668034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.668034 (E_RNA) where: Base-Base interactions energy: -16.024 where: short stacking energy: -16.024 Base-Backbone interact. energy: -0.002 local terms energy: -20.642177 where: bonds (distance) C4'-P energy: -5.163 bonds (distance) P-C4' energy: -3.342 flat angles C4'-P-C4' energy: -3.756 flat angles P-C4'-P energy: -5.178 tors. eta vs tors. theta energy: -3.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 94 Temperature: 1.250000 Total energy: -37.142349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.142349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.142349 (E_RNA) where: Base-Base interactions energy: -16.425 where: short stacking energy: -16.425 Base-Backbone interact. energy: -0.000 local terms energy: -20.717570 where: bonds (distance) C4'-P energy: -3.671 bonds (distance) P-C4' energy: -4.466 flat angles C4'-P-C4' energy: -5.979 flat angles P-C4'-P energy: -2.705 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: 9, replica: 7 ===================================== Write number: 94 Temperature: 1.300000 Total energy: -28.384212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.384212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.384212 (E_RNA) where: Base-Base interactions energy: -12.981 where: short stacking energy: -12.981 Base-Backbone interact. energy: -0.032 local terms energy: -15.370619 where: bonds (distance) C4'-P energy: -5.608 bonds (distance) P-C4' energy: -1.190 flat angles C4'-P-C4' energy: -6.057 flat angles P-C4'-P energy: -3.837 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: 5 ===================================== Write number: 94 Temperature: 1.350000 Total energy: -28.716986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.716986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.716986 (E_RNA) where: Base-Base interactions energy: -8.116 where: short stacking energy: -8.116 Base-Backbone interact. energy: -0.001 local terms energy: -20.600312 where: bonds (distance) C4'-P energy: -4.276 bonds (distance) P-C4' energy: -5.576 flat angles C4'-P-C4' energy: -6.464 flat angles P-C4'-P energy: -3.907 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: 1, replica: 9 ===================================== Write number: 95 Temperature: 0.900000 Total energy: -37.163097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.163097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.163097 (E_RNA) where: Base-Base interactions energy: -12.522 where: short stacking energy: -12.522 Base-Backbone interact. energy: -0.027 local terms energy: -24.613802 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -5.194 flat angles P-C4'-P energy: -4.945 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: 2, replica: 6 ===================================== Write number: 95 Temperature: 0.950000 Total energy: -41.183021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.183021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.183021 (E_RNA) where: Base-Base interactions energy: -15.328 where: short stacking energy: -15.328 Base-Backbone interact. energy: -0.020 local terms energy: -25.835614 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -4.709 flat angles P-C4'-P energy: -3.969 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: 1 ===================================== Write number: 95 Temperature: 1.000000 Total energy: -36.265716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.265716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.265716 (E_RNA) where: Base-Base interactions energy: -13.017 where: short stacking energy: -13.017 Base-Backbone interact. energy: -0.001 local terms energy: -23.248525 where: bonds (distance) C4'-P energy: -4.764 bonds (distance) P-C4' energy: -6.628 flat angles C4'-P-C4' energy: -5.307 flat angles P-C4'-P energy: -2.431 tors. eta vs tors. theta energy: -4.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 95 Temperature: 1.050000 Total energy: -35.640333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.640333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.640333 (E_RNA) where: Base-Base interactions energy: -15.497 where: short stacking energy: -15.497 Base-Backbone interact. energy: -0.000 local terms energy: -20.143468 where: bonds (distance) C4'-P energy: -3.261 bonds (distance) P-C4' energy: -6.097 flat angles C4'-P-C4' energy: -4.171 flat angles P-C4'-P energy: -3.882 tors. eta vs tors. theta energy: -2.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 95 Temperature: 1.100000 Total energy: -35.783468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.783468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.783468 (E_RNA) where: Base-Base interactions energy: -12.821 where: short stacking energy: -12.821 Base-Backbone interact. energy: -0.010 local terms energy: -22.951838 where: bonds (distance) C4'-P energy: -4.515 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -5.706 flat angles P-C4'-P energy: -4.469 tors. eta vs tors. theta energy: -3.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 95 Temperature: 1.150000 Total energy: -34.317300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.317300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.317300 (E_RNA) where: Base-Base interactions energy: -13.410 where: short stacking energy: -13.410 Base-Backbone interact. energy: -0.076 local terms energy: -20.830744 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -5.276 flat angles C4'-P-C4' energy: -4.497 flat angles P-C4'-P energy: -3.611 tors. eta vs tors. theta energy: -1.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 95 Temperature: 1.200000 Total energy: -32.841600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.841600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.841600 (E_RNA) where: Base-Base interactions energy: -8.288 where: short stacking energy: -8.288 Base-Backbone interact. energy: -0.012 local terms energy: -24.541230 where: bonds (distance) C4'-P energy: -5.688 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -4.859 flat angles P-C4'-P energy: -4.254 tors. eta vs tors. theta energy: -3.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 95 Temperature: 1.250000 Total energy: -32.758889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.758889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.758889 (E_RNA) where: Base-Base interactions energy: -11.201 where: short stacking energy: -11.201 Base-Backbone interact. energy: -0.000 local terms energy: -21.558187 where: bonds (distance) C4'-P energy: -5.348 bonds (distance) P-C4' energy: -5.586 flat angles C4'-P-C4' energy: -4.046 flat angles P-C4'-P energy: -4.052 tors. eta vs tors. theta energy: -2.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 95 Temperature: 1.300000 Total energy: -34.096601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.096601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.096601 (E_RNA) where: Base-Base interactions energy: -11.594 where: short stacking energy: -11.594 Base-Backbone interact. energy: -0.004 local terms energy: -22.498393 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -3.748 flat angles P-C4'-P energy: -4.280 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: 10, replica: 5 ===================================== Write number: 95 Temperature: 1.350000 Total energy: -29.784263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.784263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.784263 (E_RNA) where: Base-Base interactions energy: -11.524 where: short stacking energy: -11.524 Base-Backbone interact. energy: -0.000 local terms energy: -18.259828 where: bonds (distance) C4'-P energy: -4.657 bonds (distance) P-C4' energy: -4.230 flat angles C4'-P-C4' energy: -3.160 flat angles P-C4'-P energy: -4.288 tors. eta vs tors. theta energy: -1.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 96 Temperature: 0.900000 Total energy: -40.881375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.881375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.881375 (E_RNA) where: Base-Base interactions energy: -16.615 where: short stacking energy: -16.615 Base-Backbone interact. energy: -0.000 local terms energy: -24.266140 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -3.537 flat angles P-C4'-P energy: -3.404 tors. eta vs tors. theta energy: -4.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 96 Temperature: 0.950000 Total energy: -40.816889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.816889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.816889 (E_RNA) where: Base-Base interactions energy: -14.800 where: short stacking energy: -14.800 Base-Backbone interact. energy: -0.000 local terms energy: -26.017311 where: bonds (distance) C4'-P energy: -5.866 bonds (distance) P-C4' energy: -6.189 flat angles C4'-P-C4' energy: -5.582 flat angles P-C4'-P energy: -3.986 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: 3, replica: 3 ===================================== Write number: 96 Temperature: 1.000000 Total energy: -36.615634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.615634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.615634 (E_RNA) where: Base-Base interactions energy: -14.798 where: short stacking energy: -14.490 Base-Backbone interact. energy: -0.042 local terms energy: -21.775258 where: bonds (distance) C4'-P energy: -4.293 bonds (distance) P-C4' energy: -6.886 flat angles C4'-P-C4' energy: -3.146 flat angles P-C4'-P energy: -5.102 tors. eta vs tors. theta energy: -2.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 96 Temperature: 1.050000 Total energy: -40.201285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.201285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.201285 (E_RNA) where: Base-Base interactions energy: -16.665 where: short stacking energy: -16.665 Base-Backbone interact. energy: -0.037 local terms energy: -23.498726 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -6.364 flat angles C4'-P-C4' energy: -6.538 flat angles P-C4'-P energy: -2.846 tors. eta vs tors. theta energy: -1.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 96 Temperature: 1.100000 Total energy: -37.216135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.216135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.216135 (E_RNA) where: Base-Base interactions energy: -13.298 where: short stacking energy: -13.298 Base-Backbone interact. energy: -0.157 local terms energy: -23.760979 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.971 flat angles P-C4'-P energy: -3.206 tors. eta vs tors. theta energy: -2.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 96 Temperature: 1.150000 Total energy: -32.930524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.930524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.930524 (E_RNA) where: Base-Base interactions energy: -11.034 where: short stacking energy: -11.034 Base-Backbone interact. energy: -0.049 local terms energy: -21.847183 where: bonds (distance) C4'-P energy: -5.572 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -6.416 flat angles P-C4'-P energy: -4.091 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: 7, replica: 10 ===================================== Write number: 96 Temperature: 1.200000 Total energy: -37.023688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.023688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.023688 (E_RNA) where: Base-Base interactions energy: -17.687 where: short stacking energy: -17.687 Base-Backbone interact. energy: -0.023 local terms energy: -19.314066 where: bonds (distance) C4'-P energy: -2.359 bonds (distance) P-C4' energy: -3.843 flat angles C4'-P-C4' energy: -5.853 flat angles P-C4'-P energy: -4.453 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: 4 ===================================== Write number: 96 Temperature: 1.250000 Total energy: -26.578914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.578914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.578914 (E_RNA) where: Base-Base interactions energy: -6.078 where: short stacking energy: -6.078 Base-Backbone interact. energy: -0.087 local terms energy: -20.414740 where: bonds (distance) C4'-P energy: -4.905 bonds (distance) P-C4' energy: -4.677 flat angles C4'-P-C4' energy: -5.158 flat angles P-C4'-P energy: -4.775 tors. eta vs tors. theta energy: -0.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 96 Temperature: 1.300000 Total energy: -29.362281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.362281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.362281 (E_RNA) where: Base-Base interactions energy: -12.215 where: short stacking energy: -12.215 Base-Backbone interact. energy: -0.010 local terms energy: -17.136833 where: bonds (distance) C4'-P energy: -3.580 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -2.297 flat angles P-C4'-P energy: -2.862 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: 10, replica: 7 ===================================== Write number: 96 Temperature: 1.350000 Total energy: -31.558665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.558665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.558665 (E_RNA) where: Base-Base interactions energy: -8.407 where: short stacking energy: -8.407 Base-Backbone interact. energy: -0.007 local terms energy: -23.144996 where: bonds (distance) C4'-P energy: -5.269 bonds (distance) P-C4' energy: -6.202 flat angles C4'-P-C4' energy: -6.470 flat angles P-C4'-P energy: -3.936 tors. eta vs tors. theta energy: -1.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 97 Temperature: 0.900000 Total energy: -43.635727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.635727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.635727 (E_RNA) where: Base-Base interactions energy: -18.414 where: short stacking energy: -18.414 Base-Backbone interact. energy: -0.001 local terms energy: -25.220616 where: bonds (distance) C4'-P energy: -4.375 bonds (distance) P-C4' energy: -6.199 flat angles C4'-P-C4' energy: -4.327 flat angles P-C4'-P energy: -5.363 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: 2, replica: 3 ===================================== Write number: 97 Temperature: 0.950000 Total energy: -37.324325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.324325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.324325 (E_RNA) where: Base-Base interactions energy: -14.207 where: short stacking energy: -14.207 Base-Backbone interact. energy: -0.001 local terms energy: -23.116364 where: bonds (distance) C4'-P energy: -6.246 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -4.624 flat angles P-C4'-P energy: -3.763 tors. eta vs tors. theta energy: -2.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 97 Temperature: 1.000000 Total energy: -35.201455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.201455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.201455 (E_RNA) where: Base-Base interactions energy: -12.895 where: short stacking energy: -12.895 Base-Backbone interact. energy: -0.004 local terms energy: -22.303094 where: bonds (distance) C4'-P energy: -5.518 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.715 flat angles P-C4'-P energy: -4.138 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: 4, replica: 2 ===================================== Write number: 97 Temperature: 1.050000 Total energy: -38.319106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.319106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.319106 (E_RNA) where: Base-Base interactions energy: -13.862 where: short stacking energy: -13.862 Base-Backbone interact. energy: -0.170 local terms energy: -24.286418 where: bonds (distance) C4'-P energy: -4.337 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -5.705 flat angles P-C4'-P energy: -4.189 tors. eta vs tors. theta energy: -3.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 97 Temperature: 1.100000 Total energy: -34.202155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.202155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.202155 (E_RNA) where: Base-Base interactions energy: -9.158 where: short stacking energy: -9.158 Base-Backbone interact. energy: -0.066 local terms energy: -24.977822 where: bonds (distance) C4'-P energy: -5.572 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -4.617 flat angles P-C4'-P energy: -3.753 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: 6, replica: 10 ===================================== Write number: 97 Temperature: 1.150000 Total energy: -33.402976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.402976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.402976 (E_RNA) where: Base-Base interactions energy: -10.386 where: short stacking energy: -10.386 Base-Backbone interact. energy: -0.004 local terms energy: -23.013394 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -3.932 flat angles C4'-P-C4' energy: -4.399 flat angles P-C4'-P energy: -4.110 tors. eta vs tors. theta energy: -4.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 97 Temperature: 1.200000 Total energy: -34.287243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.287243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.287243 (E_RNA) where: Base-Base interactions energy: -10.014 where: short stacking energy: -10.014 Base-Backbone interact. energy: -0.002 local terms energy: -24.271668 where: bonds (distance) C4'-P energy: -5.278 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -6.552 flat angles P-C4'-P energy: -2.221 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: 8, replica: 5 ===================================== Write number: 97 Temperature: 1.250000 Total energy: -28.851129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.851129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.851129 (E_RNA) where: Base-Base interactions energy: -14.174 where: short stacking energy: -14.174 Base-Backbone interact. energy: -0.073 local terms energy: -14.603448 where: bonds (distance) C4'-P energy: -4.608 bonds (distance) P-C4' energy: -5.131 flat angles C4'-P-C4' energy: -4.631 flat angles P-C4'-P energy: -0.273 tors. eta vs tors. theta energy: 0.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 97 Temperature: 1.300000 Total energy: -29.401422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.401422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.401422 (E_RNA) where: Base-Base interactions energy: -6.138 where: short stacking energy: -5.502 Base-Backbone interact. energy: 0.270 local terms energy: -23.533828 where: bonds (distance) C4'-P energy: -5.688 bonds (distance) P-C4' energy: -5.530 flat angles C4'-P-C4' energy: -5.307 flat angles P-C4'-P energy: -3.937 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: 10, replica: 7 ===================================== Write number: 97 Temperature: 1.350000 Total energy: -28.733241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.733241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.733241 (E_RNA) where: Base-Base interactions energy: -8.680 where: short stacking energy: -8.680 Base-Backbone interact. energy: -0.044 local terms energy: -20.009760 where: bonds (distance) C4'-P energy: -5.411 bonds (distance) P-C4' energy: -5.956 flat angles C4'-P-C4' energy: -4.590 flat angles P-C4'-P energy: -1.626 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: 1, replica: 6 ===================================== Write number: 98 Temperature: 0.900000 Total energy: -42.913256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.913256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.913256 (E_RNA) where: Base-Base interactions energy: -17.879 where: short stacking energy: -17.879 Base-Backbone interact. energy: -0.000 local terms energy: -25.034342 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.238 flat angles P-C4'-P energy: -4.780 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: 2, replica: 3 ===================================== Write number: 98 Temperature: 0.950000 Total energy: -38.828696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.828696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.828696 (E_RNA) where: Base-Base interactions energy: -12.361 where: short stacking energy: -12.361 Base-Backbone interact. energy: -0.027 local terms energy: -26.441007 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -5.600 flat angles C4'-P-C4' energy: -6.588 flat angles P-C4'-P energy: -4.884 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: 2 ===================================== Write number: 98 Temperature: 1.000000 Total energy: -35.921662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.921662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.921662 (E_RNA) where: Base-Base interactions energy: -12.573 where: short stacking energy: -12.573 Base-Backbone interact. energy: -0.000 local terms energy: -23.348624 where: bonds (distance) C4'-P energy: -4.417 bonds (distance) P-C4' energy: -6.199 flat angles C4'-P-C4' energy: -5.427 flat angles P-C4'-P energy: -2.317 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: 4, replica: 9 ===================================== Write number: 98 Temperature: 1.050000 Total energy: -35.710976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.710976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.710976 (E_RNA) where: Base-Base interactions energy: -12.851 where: short stacking energy: -12.851 Base-Backbone interact. energy: -0.000 local terms energy: -22.860234 where: bonds (distance) C4'-P energy: -4.089 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -6.617 flat angles P-C4'-P energy: -1.559 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: 5, replica: 1 ===================================== Write number: 98 Temperature: 1.100000 Total energy: -36.525207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.525207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.525207 (E_RNA) where: Base-Base interactions energy: -11.414 where: short stacking energy: -11.414 Base-Backbone interact. energy: -0.081 local terms energy: -25.029836 where: bonds (distance) C4'-P energy: -5.953 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -4.472 flat angles P-C4'-P energy: -4.902 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: 6, replica: 10 ===================================== Write number: 98 Temperature: 1.150000 Total energy: -35.074275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.074275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.074275 (E_RNA) where: Base-Base interactions energy: -12.529 where: short stacking energy: -12.529 Base-Backbone interact. energy: -0.453 local terms energy: -22.092145 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -4.656 flat angles C4'-P-C4' energy: -4.191 flat angles P-C4'-P energy: -3.247 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: 7, replica: 8 ===================================== Write number: 98 Temperature: 1.200000 Total energy: -30.376962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.376962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.376962 (E_RNA) where: Base-Base interactions energy: -7.486 where: short stacking energy: -7.486 Base-Backbone interact. energy: -0.053 local terms energy: -22.838470 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -4.149 flat angles P-C4'-P energy: -4.272 tors. eta vs tors. theta energy: -1.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 98 Temperature: 1.250000 Total energy: -26.755677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.755677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.755677 (E_RNA) where: Base-Base interactions energy: -8.982 where: short stacking energy: -8.982 Base-Backbone interact. energy: -0.120 local terms energy: -17.653677 where: bonds (distance) C4'-P energy: -5.368 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -5.583 flat angles P-C4'-P energy: -3.173 tors. eta vs tors. theta energy: 2.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 98 Temperature: 1.300000 Total energy: -29.167818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.167818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.167818 (E_RNA) where: Base-Base interactions energy: -10.864 where: short stacking energy: -10.864 Base-Backbone interact. energy: -0.079 local terms energy: -18.225168 where: bonds (distance) C4'-P energy: -4.027 bonds (distance) P-C4' energy: -4.967 flat angles C4'-P-C4' energy: -5.020 flat angles P-C4'-P energy: -4.411 tors. eta vs tors. theta energy: 0.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 98 Temperature: 1.350000 Total energy: -29.672039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.672039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.672039 (E_RNA) where: Base-Base interactions energy: -8.711 where: short stacking energy: -8.711 Base-Backbone interact. energy: -0.061 local terms energy: -20.900105 where: bonds (distance) C4'-P energy: -6.023 bonds (distance) P-C4' energy: -3.846 flat angles C4'-P-C4' energy: -6.074 flat angles P-C4'-P energy: -4.995 tors. eta vs tors. theta energy: 0.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 99 Temperature: 0.900000 Total energy: -38.764069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.764069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.764069 (E_RNA) where: Base-Base interactions energy: -14.887 where: short stacking energy: -14.887 Base-Backbone interact. energy: -0.012 local terms energy: -23.864992 where: bonds (distance) C4'-P energy: -5.473 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -5.610 flat angles P-C4'-P energy: -4.877 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: 2, replica: 2 ===================================== Write number: 99 Temperature: 0.950000 Total energy: -38.605138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.605138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.605138 (E_RNA) where: Base-Base interactions energy: -13.539 where: short stacking energy: -13.539 Base-Backbone interact. energy: -0.066 local terms energy: -24.999728 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.886 flat angles P-C4'-P energy: -4.793 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: 3, replica: 3 ===================================== Write number: 99 Temperature: 1.000000 Total energy: -38.794269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.794269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.794269 (E_RNA) where: Base-Base interactions energy: -15.404 where: short stacking energy: -15.404 Base-Backbone interact. energy: -0.001 local terms energy: -23.390173 where: bonds (distance) C4'-P energy: -2.624 bonds (distance) P-C4' energy: -4.426 flat angles C4'-P-C4' energy: -6.363 flat angles P-C4'-P energy: -4.871 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: 4, replica: 1 ===================================== Write number: 99 Temperature: 1.050000 Total energy: -37.235077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.235077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.235077 (E_RNA) where: Base-Base interactions energy: -14.022 where: short stacking energy: -14.022 Base-Backbone interact. energy: -0.000 local terms energy: -23.212405 where: bonds (distance) C4'-P energy: -5.998 bonds (distance) P-C4' energy: -6.417 flat angles C4'-P-C4' energy: -3.909 flat angles P-C4'-P energy: -2.980 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: 5, replica: 9 ===================================== Write number: 99 Temperature: 1.100000 Total energy: -32.103061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.103061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.103061 (E_RNA) where: Base-Base interactions energy: -9.856 where: short stacking energy: -9.856 Base-Backbone interact. energy: -0.046 local terms energy: -22.200578 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -5.658 flat angles P-C4'-P energy: -3.798 tors. eta vs tors. theta energy: -0.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 99 Temperature: 1.150000 Total energy: -31.774333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.774333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.774333 (E_RNA) where: Base-Base interactions energy: -9.677 where: short stacking energy: -9.677 Base-Backbone interact. energy: -0.018 local terms energy: -22.079597 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -5.570 flat angles P-C4'-P energy: -2.022 tors. eta vs tors. theta energy: -2.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 99 Temperature: 1.200000 Total energy: -31.952532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.952532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.952532 (E_RNA) where: Base-Base interactions energy: -9.629 where: short stacking energy: -9.629 Base-Backbone interact. energy: -0.001 local terms energy: -22.322378 where: bonds (distance) C4'-P energy: -4.897 bonds (distance) P-C4' energy: -6.678 flat angles C4'-P-C4' energy: -6.346 flat angles P-C4'-P energy: -3.736 tors. eta vs tors. theta energy: -0.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 99 Temperature: 1.250000 Total energy: -30.712379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.712379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.712379 (E_RNA) where: Base-Base interactions energy: -8.693 where: short stacking energy: -8.693 Base-Backbone interact. energy: -0.000 local terms energy: -22.019104 where: bonds (distance) C4'-P energy: -3.770 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -5.346 flat angles P-C4'-P energy: -3.625 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: 5 ===================================== Write number: 99 Temperature: 1.300000 Total energy: -28.155474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.155474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.155474 (E_RNA) where: Base-Base interactions energy: -9.402 where: short stacking energy: -9.402 Base-Backbone interact. energy: -0.047 local terms energy: -18.706742 where: bonds (distance) C4'-P energy: -3.680 bonds (distance) P-C4' energy: -4.062 flat angles C4'-P-C4' energy: -6.367 flat angles P-C4'-P energy: -5.132 tors. eta vs tors. theta energy: 0.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 99 Temperature: 1.350000 Total energy: -29.563855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.563855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.563855 (E_RNA) where: Base-Base interactions energy: -11.291 where: short stacking energy: -11.291 Base-Backbone interact. energy: -0.004 local terms energy: -18.268558 where: bonds (distance) C4'-P energy: -4.346 bonds (distance) P-C4' energy: -5.153 flat angles C4'-P-C4' energy: -5.652 flat angles P-C4'-P energy: -3.254 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: 6 ===================================== Write number: 100 Temperature: 0.900000 Total energy: -37.622034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.622034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.622034 (E_RNA) where: Base-Base interactions energy: -13.944 where: short stacking energy: -13.944 Base-Backbone interact. energy: -0.000 local terms energy: -23.677669 where: bonds (distance) C4'-P energy: -3.244 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -6.285 flat angles P-C4'-P energy: -4.065 tors. eta vs tors. theta energy: -3.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 100 Temperature: 0.950000 Total energy: -34.178817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.178817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.178817 (E_RNA) where: Base-Base interactions energy: -12.905 where: short stacking energy: -12.905 Base-Backbone interact. energy: -0.006 local terms energy: -21.267901 where: bonds (distance) C4'-P energy: -3.369 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -6.056 flat angles P-C4'-P energy: -4.453 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: 3, replica: 1 ===================================== Write number: 100 Temperature: 1.000000 Total energy: -34.085617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.085617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.085617 (E_RNA) where: Base-Base interactions energy: -10.627 where: short stacking energy: -10.779 Base-Backbone interact. energy: -0.001 local terms energy: -23.457283 where: bonds (distance) C4'-P energy: -6.006 bonds (distance) P-C4' energy: -5.758 flat angles C4'-P-C4' energy: -5.057 flat angles P-C4'-P energy: -5.126 tors. eta vs tors. theta energy: -1.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 100 Temperature: 1.050000 Total energy: -36.152547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.152547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.152547 (E_RNA) where: Base-Base interactions energy: -12.785 where: short stacking energy: -12.785 Base-Backbone interact. energy: -0.009 local terms energy: -23.357860 where: bonds (distance) C4'-P energy: -4.169 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -5.892 flat angles P-C4'-P energy: -5.555 tors. eta vs tors. theta energy: -0.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 100 Temperature: 1.100000 Total energy: -35.716754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.716754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.716754 (E_RNA) where: Base-Base interactions energy: -10.423 where: short stacking energy: -10.423 Base-Backbone interact. energy: -0.000 local terms energy: -25.293160 where: bonds (distance) C4'-P energy: -6.060 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -4.002 flat angles P-C4'-P energy: -4.668 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: 6, replica: 9 ===================================== Write number: 100 Temperature: 1.150000 Total energy: -36.093504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.093504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.093504 (E_RNA) where: Base-Base interactions energy: -12.313 where: short stacking energy: -12.313 Base-Backbone interact. energy: -0.000 local terms energy: -23.780807 where: bonds (distance) C4'-P energy: -5.473 bonds (distance) P-C4' energy: -5.723 flat angles C4'-P-C4' energy: -4.602 flat angles P-C4'-P energy: -5.004 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: 10 ===================================== Write number: 100 Temperature: 1.200000 Total energy: -31.413975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.413975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.413975 (E_RNA) where: Base-Base interactions energy: -9.655 where: short stacking energy: -9.655 Base-Backbone interact. energy: -0.057 local terms energy: -21.701940 where: bonds (distance) C4'-P energy: -4.665 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.781 flat angles P-C4'-P energy: -4.091 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: 8, replica: 4 ===================================== Write number: 100 Temperature: 1.250000 Total energy: -34.835907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.835907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.835907 (E_RNA) where: Base-Base interactions energy: -16.527 where: short stacking energy: -16.527 Base-Backbone interact. energy: -0.186 local terms energy: -18.122485 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -4.614 flat angles C4'-P-C4' energy: -2.293 flat angles P-C4'-P energy: -4.232 tors. eta vs tors. theta energy: -0.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 100 Temperature: 1.300000 Total energy: -29.273868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.273868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.273868 (E_RNA) where: Base-Base interactions energy: -10.407 where: short stacking energy: -10.407 Base-Backbone interact. energy: -0.003 local terms energy: -18.864279 where: bonds (distance) C4'-P energy: -2.794 bonds (distance) P-C4' energy: -5.889 flat angles C4'-P-C4' energy: -5.516 flat angles P-C4'-P energy: -3.680 tors. eta vs tors. theta energy: -0.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 100 Temperature: 1.350000 Total energy: -23.313355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.313355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.313355 (E_RNA) where: Base-Base interactions energy: -5.679 where: short stacking energy: -5.679 Base-Backbone interact. energy: -0.544 local terms energy: -17.090167 where: bonds (distance) C4'-P energy: -3.262 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -4.906 flat angles P-C4'-P energy: -3.176 tors. eta vs tors. theta energy: 0.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 101 Temperature: 0.900000 Total energy: -41.388676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.388676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.388676 (E_RNA) where: Base-Base interactions energy: -16.649 where: short stacking energy: -16.649 Base-Backbone interact. energy: -0.000 local terms energy: -24.739365 where: bonds (distance) C4'-P energy: -5.411 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -4.551 flat angles P-C4'-P energy: -5.315 tors. eta vs tors. theta energy: -3.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 101 Temperature: 0.950000 Total energy: -37.932929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.932929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.932929 (E_RNA) where: Base-Base interactions energy: -14.548 where: short stacking energy: -14.548 Base-Backbone interact. energy: -0.053 local terms energy: -23.332579 where: bonds (distance) C4'-P energy: -5.153 bonds (distance) P-C4' energy: -4.205 flat angles C4'-P-C4' energy: -5.942 flat angles P-C4'-P energy: -3.831 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: 2 ===================================== Write number: 101 Temperature: 1.000000 Total energy: -36.418680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.418680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.418680 (E_RNA) where: Base-Base interactions energy: -11.922 where: short stacking energy: -11.922 Base-Backbone interact. energy: -0.001 local terms energy: -24.495524 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -5.395 flat angles P-C4'-P energy: -3.479 tors. eta vs tors. theta energy: -2.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 101 Temperature: 1.050000 Total energy: -34.790935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.790935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.790935 (E_RNA) where: Base-Base interactions energy: -10.019 where: short stacking energy: -10.019 Base-Backbone interact. energy: -0.003 local terms energy: -24.769221 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -5.600 flat angles C4'-P-C4' energy: -5.474 flat angles P-C4'-P energy: -5.315 tors. eta vs tors. theta energy: -2.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 101 Temperature: 1.100000 Total energy: -31.567654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.567654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.567654 (E_RNA) where: Base-Base interactions energy: -10.282 where: short stacking energy: -10.282 Base-Backbone interact. energy: -0.000 local terms energy: -21.285533 where: bonds (distance) C4'-P energy: -4.508 bonds (distance) P-C4' energy: -6.392 flat angles C4'-P-C4' energy: -5.375 flat angles P-C4'-P energy: -2.495 tors. eta vs tors. theta energy: -2.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 101 Temperature: 1.150000 Total energy: -34.564629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.564629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.564629 (E_RNA) where: Base-Base interactions energy: -12.214 where: short stacking energy: -12.214 Base-Backbone interact. energy: -0.001 local terms energy: -22.349317 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -5.843 flat angles C4'-P-C4' energy: -3.993 flat angles P-C4'-P energy: -4.986 tors. eta vs tors. theta energy: -2.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 101 Temperature: 1.200000 Total energy: -32.260505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.260505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.260505 (E_RNA) where: Base-Base interactions energy: -10.000 where: short stacking energy: -10.000 Base-Backbone interact. energy: -0.060 local terms energy: -22.201175 where: bonds (distance) C4'-P energy: -5.306 bonds (distance) P-C4' energy: -6.149 flat angles C4'-P-C4' energy: -5.393 flat angles P-C4'-P energy: -3.888 tors. eta vs tors. theta energy: -1.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 101 Temperature: 1.250000 Total energy: -25.519560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.519560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.519560 (E_RNA) where: Base-Base interactions energy: -4.190 where: short stacking energy: -3.826 Base-Backbone interact. energy: -0.446 local terms energy: -20.883641 where: bonds (distance) C4'-P energy: -5.261 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -5.710 flat angles P-C4'-P energy: -3.901 tors. eta vs tors. theta energy: 0.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 101 Temperature: 1.300000 Total energy: -31.884213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.884213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.884213 (E_RNA) where: Base-Base interactions energy: -12.022 where: short stacking energy: -12.022 Base-Backbone interact. energy: -0.005 local terms energy: -19.856711 where: bonds (distance) C4'-P energy: -4.615 bonds (distance) P-C4' energy: -3.800 flat angles C4'-P-C4' energy: -5.622 flat angles P-C4'-P energy: -3.420 tors. eta vs tors. theta energy: -2.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 101 Temperature: 1.350000 Total energy: -29.357819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.357819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.357819 (E_RNA) where: Base-Base interactions energy: -8.854 where: short stacking energy: -8.854 Base-Backbone interact. energy: -0.727 local terms energy: -19.776727 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -2.763 flat angles P-C4'-P energy: -0.513 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: 1, replica: 1 ===================================== Write number: 102 Temperature: 0.900000 Total energy: -39.562358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.562358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.562358 (E_RNA) where: Base-Base interactions energy: -11.987 where: short stacking energy: -11.987 Base-Backbone interact. energy: -0.000 local terms energy: -27.575438 where: bonds (distance) C4'-P energy: -5.348 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -5.949 flat angles P-C4'-P energy: -5.413 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: 2, replica: 6 ===================================== Write number: 102 Temperature: 0.950000 Total energy: -36.301759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.301759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.301759 (E_RNA) where: Base-Base interactions energy: -10.677 where: short stacking energy: -10.677 Base-Backbone interact. energy: 0.142 local terms energy: -25.767424 where: bonds (distance) C4'-P energy: -5.033 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -6.804 flat angles P-C4'-P energy: -3.217 tors. eta vs tors. theta energy: -3.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 102 Temperature: 1.000000 Total energy: -36.396626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.396626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.396626 (E_RNA) where: Base-Base interactions energy: -9.222 where: short stacking energy: -9.222 Base-Backbone interact. energy: -0.018 local terms energy: -27.156697 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -6.873 flat angles P-C4'-P energy: -4.064 tors. eta vs tors. theta energy: -2.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 102 Temperature: 1.050000 Total energy: -33.339435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.339435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.339435 (E_RNA) where: Base-Base interactions energy: -13.343 where: short stacking energy: -13.343 Base-Backbone interact. energy: -0.000 local terms energy: -19.996108 where: bonds (distance) C4'-P energy: -1.250 bonds (distance) P-C4' energy: -5.966 flat angles C4'-P-C4' energy: -4.333 flat angles P-C4'-P energy: -4.195 tors. eta vs tors. theta energy: -4.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 102 Temperature: 1.100000 Total energy: -38.406478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.406478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.406478 (E_RNA) where: Base-Base interactions energy: -14.584 where: short stacking energy: -14.584 Base-Backbone interact. energy: -0.003 local terms energy: -23.819570 where: bonds (distance) C4'-P energy: -6.470 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -4.025 flat angles P-C4'-P energy: -3.372 tors. eta vs tors. theta energy: -2.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 102 Temperature: 1.150000 Total energy: -38.574377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.574377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.574377 (E_RNA) where: Base-Base interactions energy: -13.414 where: short stacking energy: -13.414 Base-Backbone interact. energy: -0.000 local terms energy: -25.160253 where: bonds (distance) C4'-P energy: -5.651 bonds (distance) P-C4' energy: -5.734 flat angles C4'-P-C4' energy: -4.963 flat angles P-C4'-P energy: -4.942 tors. eta vs tors. theta energy: -3.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 102 Temperature: 1.200000 Total energy: -28.277902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.277902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.277902 (E_RNA) where: Base-Base interactions energy: -8.670 where: short stacking energy: -8.670 Base-Backbone interact. energy: -0.021 local terms energy: -19.587245 where: bonds (distance) C4'-P energy: -3.709 bonds (distance) P-C4' energy: -6.432 flat angles C4'-P-C4' energy: -5.184 flat angles P-C4'-P energy: -4.609 tors. eta vs tors. theta energy: 0.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 102 Temperature: 1.250000 Total energy: -32.540275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.540275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.540275 (E_RNA) where: Base-Base interactions energy: -9.745 where: short stacking energy: -9.745 Base-Backbone interact. energy: -0.014 local terms energy: -22.781384 where: bonds (distance) C4'-P energy: -4.773 bonds (distance) P-C4' energy: -6.128 flat angles C4'-P-C4' energy: -2.976 flat angles P-C4'-P energy: -4.841 tors. eta vs tors. theta energy: -4.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 102 Temperature: 1.300000 Total energy: -34.141173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.141173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.141173 (E_RNA) where: Base-Base interactions energy: -12.826 where: short stacking energy: -12.826 Base-Backbone interact. energy: -0.015 local terms energy: -21.299742 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -6.442 flat angles C4'-P-C4' energy: -3.397 flat angles P-C4'-P energy: -3.370 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: 4 ===================================== Write number: 102 Temperature: 1.350000 Total energy: -29.317515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.317515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.317515 (E_RNA) where: Base-Base interactions energy: -10.021 where: short stacking energy: -10.021 Base-Backbone interact. energy: -0.000 local terms energy: -19.296869 where: bonds (distance) C4'-P energy: -4.293 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -4.638 flat angles P-C4'-P energy: -1.165 tors. eta vs tors. theta energy: -2.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 103 Temperature: 0.900000 Total energy: -38.246196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.246196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.246196 (E_RNA) where: Base-Base interactions energy: -12.807 where: short stacking energy: -12.807 Base-Backbone interact. energy: -0.023 local terms energy: -25.415509 where: bonds (distance) C4'-P energy: -5.998 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -6.112 flat angles P-C4'-P energy: -4.434 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: 2, replica: 8 ===================================== Write number: 103 Temperature: 0.950000 Total energy: -36.478145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.478145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.478145 (E_RNA) where: Base-Base interactions energy: -12.471 where: short stacking energy: -12.471 Base-Backbone interact. energy: -0.001 local terms energy: -24.006875 where: bonds (distance) C4'-P energy: -5.535 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -3.787 flat angles P-C4'-P energy: -4.021 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: 3, replica: 6 ===================================== Write number: 103 Temperature: 1.000000 Total energy: -34.958148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.958148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.958148 (E_RNA) where: Base-Base interactions energy: -9.284 where: short stacking energy: -9.284 Base-Backbone interact. energy: -0.001 local terms energy: -25.672957 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -5.758 flat angles C4'-P-C4' energy: -6.097 flat angles P-C4'-P energy: -5.066 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: 4, replica: 3 ===================================== Write number: 103 Temperature: 1.050000 Total energy: -36.340356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.340356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.340356 (E_RNA) where: Base-Base interactions energy: -12.528 where: short stacking energy: -12.528 Base-Backbone interact. energy: -0.000 local terms energy: -23.811570 where: bonds (distance) C4'-P energy: -5.199 bonds (distance) P-C4' energy: -4.596 flat angles C4'-P-C4' energy: -5.608 flat angles P-C4'-P energy: -4.587 tors. eta vs tors. theta energy: -3.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 103 Temperature: 1.100000 Total energy: -33.048388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.048388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.048388 (E_RNA) where: Base-Base interactions energy: -9.485 where: short stacking energy: -9.485 Base-Backbone interact. energy: -0.001 local terms energy: -23.562254 where: bonds (distance) C4'-P energy: -5.277 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -6.390 flat angles P-C4'-P energy: -3.358 tors. eta vs tors. theta energy: -1.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 103 Temperature: 1.150000 Total energy: -40.027717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.027717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.027717 (E_RNA) where: Base-Base interactions energy: -15.213 where: short stacking energy: -13.098 Base-Backbone interact. energy: -0.000 local terms energy: -24.814076 where: bonds (distance) C4'-P energy: -4.835 bonds (distance) P-C4' energy: -6.129 flat angles C4'-P-C4' energy: -4.594 flat angles P-C4'-P energy: -4.875 tors. eta vs tors. theta energy: -4.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 103 Temperature: 1.200000 Total energy: -33.761511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.761511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.761511 (E_RNA) where: Base-Base interactions energy: -9.840 where: short stacking energy: -9.840 Base-Backbone interact. energy: -0.002 local terms energy: -23.919212 where: bonds (distance) C4'-P energy: -4.516 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -6.105 flat angles P-C4'-P energy: -4.654 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: 5 ===================================== Write number: 103 Temperature: 1.250000 Total energy: -27.278143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.278143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.278143 (E_RNA) where: Base-Base interactions energy: -7.725 where: short stacking energy: -7.725 Base-Backbone interact. energy: -0.067 local terms energy: -19.486057 where: bonds (distance) C4'-P energy: -4.603 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -4.270 flat angles P-C4'-P energy: -3.106 tors. eta vs tors. theta energy: -0.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 103 Temperature: 1.300000 Total energy: -27.390023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.390023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.390023 (E_RNA) where: Base-Base interactions energy: -12.719 where: short stacking energy: -12.719 Base-Backbone interact. energy: -0.031 local terms energy: -14.640241 where: bonds (distance) C4'-P energy: -3.150 bonds (distance) P-C4' energy: -4.497 flat angles C4'-P-C4' energy: -2.538 flat angles P-C4'-P energy: -3.570 tors. eta vs tors. theta energy: -0.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 103 Temperature: 1.350000 Total energy: -26.047297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.047297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.047297 (E_RNA) where: Base-Base interactions energy: -9.730 where: short stacking energy: -9.730 Base-Backbone interact. energy: -0.098 local terms energy: -16.219894 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -5.594 flat angles C4'-P-C4' energy: -6.137 flat angles P-C4'-P energy: -0.641 tors. eta vs tors. theta energy: 1.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 104 Temperature: 0.900000 Total energy: -41.169972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.169972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.169972 (E_RNA) where: Base-Base interactions energy: -13.435 where: short stacking energy: -13.435 Base-Backbone interact. energy: -0.000 local terms energy: -27.734885 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -4.605 flat angles P-C4'-P energy: -4.101 tors. eta vs tors. theta energy: -6.653 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: 2, replica: 1 ===================================== Write number: 104 Temperature: 0.950000 Total energy: -38.230395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.230395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.230395 (E_RNA) where: Base-Base interactions energy: -14.833 where: short stacking energy: -14.833 Base-Backbone interact. energy: -0.001 local terms energy: -23.395945 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -4.757 flat angles P-C4'-P energy: -3.517 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: 3, replica: 6 ===================================== Write number: 104 Temperature: 1.000000 Total energy: -43.083243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.083243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.083243 (E_RNA) where: Base-Base interactions energy: -16.302 where: short stacking energy: -16.302 Base-Backbone interact. energy: -0.000 local terms energy: -26.780503 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -5.723 flat angles C4'-P-C4' energy: -6.083 flat angles P-C4'-P energy: -4.658 tors. eta vs tors. theta energy: -4.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 104 Temperature: 1.050000 Total energy: -34.857051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.857051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.857051 (E_RNA) where: Base-Base interactions energy: -10.526 where: short stacking energy: -10.526 Base-Backbone interact. energy: -0.006 local terms energy: -24.325291 where: bonds (distance) C4'-P energy: -5.572 bonds (distance) P-C4' energy: -5.466 flat angles C4'-P-C4' energy: -5.785 flat angles P-C4'-P energy: -4.284 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: 5, replica: 2 ===================================== Write number: 104 Temperature: 1.100000 Total energy: -37.696500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.696500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.696500 (E_RNA) where: Base-Base interactions energy: -11.266 where: short stacking energy: -11.266 Base-Backbone interact. energy: -0.001 local terms energy: -26.429615 where: bonds (distance) C4'-P energy: -5.340 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -5.285 flat angles P-C4'-P energy: -4.365 tors. eta vs tors. theta energy: -4.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 104 Temperature: 1.150000 Total energy: -39.558179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.558179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.558179 (E_RNA) where: Base-Base interactions energy: -16.123 where: short stacking energy: -16.123 Base-Backbone interact. energy: -0.000 local terms energy: -23.435293 where: bonds (distance) C4'-P energy: -4.756 bonds (distance) P-C4' energy: -4.252 flat angles C4'-P-C4' energy: -5.994 flat angles P-C4'-P energy: -3.568 tors. eta vs tors. theta energy: -4.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 104 Temperature: 1.200000 Total energy: -35.653089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.653089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.653089 (E_RNA) where: Base-Base interactions energy: -15.056 where: short stacking energy: -15.056 Base-Backbone interact. energy: -0.070 local terms energy: -20.527248 where: bonds (distance) C4'-P energy: -3.983 bonds (distance) P-C4' energy: -5.889 flat angles C4'-P-C4' energy: -4.666 flat angles P-C4'-P energy: -1.934 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: 104 Temperature: 1.250000 Total energy: -33.922595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.922595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.922595 (E_RNA) where: Base-Base interactions energy: -10.551 where: short stacking energy: -10.551 Base-Backbone interact. energy: -0.003 local terms energy: -23.367915 where: bonds (distance) C4'-P energy: -6.462 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -3.919 flat angles P-C4'-P energy: -5.308 tors. eta vs tors. theta energy: -1.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 104 Temperature: 1.300000 Total energy: -31.068411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.068411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.068411 (E_RNA) where: Base-Base interactions energy: -13.070 where: short stacking energy: -13.070 Base-Backbone interact. energy: -0.023 local terms energy: -17.975436 where: bonds (distance) C4'-P energy: -4.106 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -2.896 flat angles P-C4'-P energy: -2.334 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: 4 ===================================== Write number: 104 Temperature: 1.350000 Total energy: -29.510630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.510630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.510630 (E_RNA) where: Base-Base interactions energy: -7.453 where: short stacking energy: -7.453 Base-Backbone interact. energy: -0.008 local terms energy: -22.049811 where: bonds (distance) C4'-P energy: -5.411 bonds (distance) P-C4' energy: -6.615 flat angles C4'-P-C4' energy: -6.131 flat angles P-C4'-P energy: -3.576 tors. eta vs tors. theta energy: -0.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 105 Temperature: 0.900000 Total energy: -36.451444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.451444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.451444 (E_RNA) where: Base-Base interactions energy: -12.444 where: short stacking energy: -12.444 Base-Backbone interact. energy: -0.004 local terms energy: -24.003327 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.355 flat angles C4'-P-C4' energy: -4.634 flat angles P-C4'-P energy: -3.559 tors. eta vs tors. theta energy: -3.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 105 Temperature: 0.950000 Total energy: -37.981245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.981245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.981245 (E_RNA) where: Base-Base interactions energy: -14.701 where: short stacking energy: -14.701 Base-Backbone interact. energy: -0.001 local terms energy: -23.279477 where: bonds (distance) C4'-P energy: -3.882 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -5.477 flat angles P-C4'-P energy: -4.068 tors. eta vs tors. theta energy: -3.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 105 Temperature: 1.000000 Total energy: -38.185137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.185137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.185137 (E_RNA) where: Base-Base interactions energy: -14.923 where: short stacking energy: -14.923 Base-Backbone interact. energy: -0.060 local terms energy: -23.202449 where: bonds (distance) C4'-P energy: -6.014 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -4.384 flat angles P-C4'-P energy: -3.017 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: 4, replica: 2 ===================================== Write number: 105 Temperature: 1.050000 Total energy: -41.037001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.037001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.037001 (E_RNA) where: Base-Base interactions energy: -16.254 where: short stacking energy: -16.254 Base-Backbone interact. energy: -0.000 local terms energy: -24.782922 where: bonds (distance) C4'-P energy: -5.721 bonds (distance) P-C4' energy: -5.730 flat angles C4'-P-C4' energy: -5.672 flat angles P-C4'-P energy: -4.170 tors. eta vs tors. theta energy: -3.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 105 Temperature: 1.100000 Total energy: -32.595837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.595837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.595837 (E_RNA) where: Base-Base interactions energy: -10.361 where: short stacking energy: -10.361 Base-Backbone interact. energy: -0.001 local terms energy: -22.234164 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.873 flat angles C4'-P-C4' energy: -4.582 flat angles P-C4'-P energy: -3.036 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: 6, replica: 5 ===================================== Write number: 105 Temperature: 1.150000 Total energy: -36.144662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.144662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.144662 (E_RNA) where: Base-Base interactions energy: -12.776 where: short stacking energy: -12.776 Base-Backbone interact. energy: -0.002 local terms energy: -23.367566 where: bonds (distance) C4'-P energy: -4.959 bonds (distance) P-C4' energy: -5.923 flat angles C4'-P-C4' energy: -5.855 flat angles P-C4'-P energy: -4.312 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: 7, replica: 7 ===================================== Write number: 105 Temperature: 1.200000 Total energy: -35.311618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.311618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.311618 (E_RNA) where: Base-Base interactions energy: -14.741 where: short stacking energy: -14.741 Base-Backbone interact. energy: -0.043 local terms energy: -20.527213 where: bonds (distance) C4'-P energy: -5.501 bonds (distance) P-C4' energy: -6.460 flat angles C4'-P-C4' energy: -5.082 flat angles P-C4'-P energy: -2.817 tors. eta vs tors. theta energy: -0.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 105 Temperature: 1.250000 Total energy: -31.147004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.147004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.147004 (E_RNA) where: Base-Base interactions energy: -7.677 where: short stacking energy: -7.677 Base-Backbone interact. energy: -0.007 local terms energy: -23.462414 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -4.971 flat angles P-C4'-P energy: -3.605 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: 9, replica: 10 ===================================== Write number: 105 Temperature: 1.300000 Total energy: -32.462299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.462299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.462299 (E_RNA) where: Base-Base interactions energy: -11.936 where: short stacking energy: -11.936 Base-Backbone interact. energy: -0.053 local terms energy: -20.472495 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -5.103 flat angles C4'-P-C4' energy: -5.536 flat angles P-C4'-P energy: -4.119 tors. eta vs tors. theta energy: -0.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 105 Temperature: 1.350000 Total energy: -30.928121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.928121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.928121 (E_RNA) where: Base-Base interactions energy: -8.764 where: short stacking energy: -8.764 Base-Backbone interact. energy: -0.013 local terms energy: -22.150605 where: bonds (distance) C4'-P energy: -4.272 bonds (distance) P-C4' energy: -4.821 flat angles C4'-P-C4' energy: -5.674 flat angles P-C4'-P energy: -5.420 tors. eta vs tors. theta energy: -1.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 106 Temperature: 0.900000 Total energy: -43.515747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.515747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.515747 (E_RNA) where: Base-Base interactions energy: -17.766 where: short stacking energy: -17.766 Base-Backbone interact. energy: -0.000 local terms energy: -25.749265 where: bonds (distance) C4'-P energy: -6.246 bonds (distance) P-C4' energy: -5.082 flat angles C4'-P-C4' energy: -5.080 flat angles P-C4'-P energy: -3.880 tors. eta vs tors. theta energy: -5.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 106 Temperature: 0.950000 Total energy: -42.628471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.628471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.628471 (E_RNA) where: Base-Base interactions energy: -13.649 where: short stacking energy: -13.649 Base-Backbone interact. energy: -0.000 local terms energy: -28.978996 where: bonds (distance) C4'-P energy: -6.246 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -6.430 flat angles P-C4'-P energy: -4.452 tors. eta vs tors. theta energy: -5.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 106 Temperature: 1.000000 Total energy: -38.327909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.327909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.327909 (E_RNA) where: Base-Base interactions energy: -14.427 where: short stacking energy: -14.427 Base-Backbone interact. energy: -0.000 local terms energy: -23.900633 where: bonds (distance) C4'-P energy: -3.924 bonds (distance) P-C4' energy: -5.184 flat angles C4'-P-C4' energy: -5.733 flat angles P-C4'-P energy: -3.859 tors. eta vs tors. theta energy: -5.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 106 Temperature: 1.050000 Total energy: -36.705459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.705459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.705459 (E_RNA) where: Base-Base interactions energy: -12.769 where: short stacking energy: -12.769 Base-Backbone interact. energy: -0.089 local terms energy: -23.847997 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -5.837 flat angles C4'-P-C4' energy: -4.952 flat angles P-C4'-P energy: -4.828 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: 5, replica: 5 ===================================== Write number: 106 Temperature: 1.100000 Total energy: -33.381980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.381980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.381980 (E_RNA) where: Base-Base interactions energy: -12.562 where: short stacking energy: -12.562 Base-Backbone interact. energy: -0.064 local terms energy: -20.755592 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -4.423 flat angles C4'-P-C4' energy: -5.286 flat angles P-C4'-P energy: -2.161 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: 6, replica: 3 ===================================== Write number: 106 Temperature: 1.150000 Total energy: -29.555340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.555340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.555340 (E_RNA) where: Base-Base interactions energy: -9.811 where: short stacking energy: -9.811 Base-Backbone interact. energy: -0.021 local terms energy: -19.722773 where: bonds (distance) C4'-P energy: -3.207 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -5.650 flat angles P-C4'-P energy: -3.664 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: 7, replica: 7 ===================================== Write number: 106 Temperature: 1.200000 Total energy: -32.695009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.695009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.695009 (E_RNA) where: Base-Base interactions energy: -9.657 where: short stacking energy: -9.657 Base-Backbone interact. energy: -0.053 local terms energy: -22.984392 where: bonds (distance) C4'-P energy: -5.982 bonds (distance) P-C4' energy: -5.276 flat angles C4'-P-C4' energy: -6.151 flat angles P-C4'-P energy: -4.625 tors. eta vs tors. theta energy: -0.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 106 Temperature: 1.250000 Total energy: -27.199244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.199244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.199244 (E_RNA) where: Base-Base interactions energy: -10.372 where: short stacking energy: -10.372 Base-Backbone interact. energy: -0.088 local terms energy: -16.738959 where: bonds (distance) C4'-P energy: -3.981 bonds (distance) P-C4' energy: -4.147 flat angles C4'-P-C4' energy: -3.571 flat angles P-C4'-P energy: -3.247 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: 9, replica: 4 ===================================== Write number: 106 Temperature: 1.300000 Total energy: -30.350265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.350265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.350265 (E_RNA) where: Base-Base interactions energy: -9.081 where: short stacking energy: -9.081 Base-Backbone interact. energy: -0.100 local terms energy: -21.169476 where: bonds (distance) C4'-P energy: -4.756 bonds (distance) P-C4' energy: -5.604 flat angles C4'-P-C4' energy: -4.150 flat angles P-C4'-P energy: -4.972 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: 10, replica: 10 ===================================== Write number: 106 Temperature: 1.350000 Total energy: -27.660703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.660703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.660703 (E_RNA) where: Base-Base interactions energy: -11.770 where: short stacking energy: -11.770 Base-Backbone interact. energy: -0.002 local terms energy: -15.889198 where: bonds (distance) C4'-P energy: -4.053 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -4.639 flat angles P-C4'-P energy: 0.846 tors. eta vs tors. theta energy: -1.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 107 Temperature: 0.900000 Total energy: -38.431601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.431601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.431601 (E_RNA) where: Base-Base interactions energy: -16.534 where: short stacking energy: -16.534 Base-Backbone interact. energy: -0.000 local terms energy: -21.896738 where: bonds (distance) C4'-P energy: -5.484 bonds (distance) P-C4' energy: -5.699 flat angles C4'-P-C4' energy: -4.193 flat angles P-C4'-P energy: -4.557 tors. eta vs tors. theta energy: -1.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 107 Temperature: 0.950000 Total energy: -40.984299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.984299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.984299 (E_RNA) where: Base-Base interactions energy: -14.346 where: short stacking energy: -14.346 Base-Backbone interact. energy: -0.000 local terms energy: -26.637991 where: bonds (distance) C4'-P energy: -5.982 bonds (distance) P-C4' energy: -6.358 flat angles C4'-P-C4' energy: -4.574 flat angles P-C4'-P energy: -3.584 tors. eta vs tors. theta energy: -6.140 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: 2 ===================================== Write number: 107 Temperature: 1.000000 Total energy: -41.127080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.127080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.127080 (E_RNA) where: Base-Base interactions energy: -13.920 where: short stacking energy: -13.920 Base-Backbone interact. energy: -0.001 local terms energy: -27.205529 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -6.592 flat angles P-C4'-P energy: -5.174 tors. eta vs tors. theta energy: -2.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 107 Temperature: 1.050000 Total energy: -31.812096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.812096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.812096 (E_RNA) where: Base-Base interactions energy: -12.626 where: short stacking energy: -12.626 Base-Backbone interact. energy: 0.796 local terms energy: -19.983042 where: bonds (distance) C4'-P energy: -5.667 bonds (distance) P-C4' energy: -4.877 flat angles C4'-P-C4' energy: -5.126 flat angles P-C4'-P energy: -2.658 tors. eta vs tors. theta energy: -1.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 107 Temperature: 1.100000 Total energy: -37.260974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.260974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.260974 (E_RNA) where: Base-Base interactions energy: -14.416 where: short stacking energy: -14.416 Base-Backbone interact. energy: -0.000 local terms energy: -22.844741 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.254 flat angles P-C4'-P energy: -3.345 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: 6, replica: 7 ===================================== Write number: 107 Temperature: 1.150000 Total energy: -37.540625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.540625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.540625 (E_RNA) where: Base-Base interactions energy: -12.421 where: short stacking energy: -12.421 Base-Backbone interact. energy: -0.000 local terms energy: -25.119487 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.940 flat angles P-C4'-P energy: -1.580 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: 3 ===================================== Write number: 107 Temperature: 1.200000 Total energy: -35.512869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.512869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.512869 (E_RNA) where: Base-Base interactions energy: -12.586 where: short stacking energy: -12.586 Base-Backbone interact. energy: -0.017 local terms energy: -22.909209 where: bonds (distance) C4'-P energy: -4.206 bonds (distance) P-C4' energy: -5.579 flat angles C4'-P-C4' energy: -4.257 flat angles P-C4'-P energy: -5.002 tors. eta vs tors. theta energy: -3.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 107 Temperature: 1.250000 Total energy: -33.148023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.148023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.148023 (E_RNA) where: Base-Base interactions energy: -9.134 where: short stacking energy: -9.134 Base-Backbone interact. energy: -0.633 local terms energy: -23.381253 where: bonds (distance) C4'-P energy: -4.843 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -5.877 flat angles P-C4'-P energy: -4.815 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: 9, replica: 9 ===================================== Write number: 107 Temperature: 1.300000 Total energy: -31.519939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.519939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.519939 (E_RNA) where: Base-Base interactions energy: -9.627 where: short stacking energy: -9.627 Base-Backbone interact. energy: -0.100 local terms energy: -21.793428 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -4.986 flat angles P-C4'-P energy: -3.883 tors. eta vs tors. theta energy: -0.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 107 Temperature: 1.350000 Total energy: -29.377267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.377267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.377267 (E_RNA) where: Base-Base interactions energy: -5.193 where: short stacking energy: -5.193 Base-Backbone interact. energy: -0.000 local terms energy: -24.184459 where: bonds (distance) C4'-P energy: -5.037 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -5.306 flat angles P-C4'-P energy: -4.562 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: 1, replica: 8 ===================================== Write number: 108 Temperature: 0.900000 Total energy: -39.876089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.876089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.876089 (E_RNA) where: Base-Base interactions energy: -14.047 where: short stacking energy: -14.047 Base-Backbone interact. energy: -0.080 local terms energy: -25.749605 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -6.457 flat angles C4'-P-C4' energy: -6.344 flat angles P-C4'-P energy: -4.239 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: 2, replica: 6 ===================================== Write number: 108 Temperature: 0.950000 Total energy: -42.325885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.325885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.325885 (E_RNA) where: Base-Base interactions energy: -15.854 where: short stacking energy: -15.854 Base-Backbone interact. energy: -0.004 local terms energy: -26.468636 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -5.441 flat angles C4'-P-C4' energy: -6.080 flat angles P-C4'-P energy: -5.179 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: 3, replica: 5 ===================================== Write number: 108 Temperature: 1.000000 Total energy: -38.788546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.788546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.788546 (E_RNA) where: Base-Base interactions energy: -15.935 where: short stacking energy: -15.935 Base-Backbone interact. energy: -0.001 local terms energy: -22.852792 where: bonds (distance) C4'-P energy: -5.013 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -6.136 flat angles P-C4'-P energy: -4.052 tors. eta vs tors. theta energy: -1.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 108 Temperature: 1.050000 Total energy: -34.548955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.548955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.548955 (E_RNA) where: Base-Base interactions energy: -12.151 where: short stacking energy: -12.151 Base-Backbone interact. energy: -0.088 local terms energy: -22.309624 where: bonds (distance) C4'-P energy: -5.021 bonds (distance) P-C4' energy: -5.886 flat angles C4'-P-C4' energy: -6.029 flat angles P-C4'-P energy: -3.323 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: 5, replica: 1 ===================================== Write number: 108 Temperature: 1.100000 Total energy: -34.278152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.278152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.278152 (E_RNA) where: Base-Base interactions energy: -9.479 where: short stacking energy: -9.479 Base-Backbone interact. energy: 0.122 local terms energy: -24.921722 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -5.696 flat angles P-C4'-P energy: -4.340 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: 6, replica: 7 ===================================== Write number: 108 Temperature: 1.150000 Total energy: -33.908979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.908979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.908979 (E_RNA) where: Base-Base interactions energy: -13.543 where: short stacking energy: -13.543 Base-Backbone interact. energy: -0.000 local terms energy: -20.365542 where: bonds (distance) C4'-P energy: -4.090 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -5.671 flat angles P-C4'-P energy: -2.258 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: 7, replica: 4 ===================================== Write number: 108 Temperature: 1.200000 Total energy: -34.987764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.987764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.987764 (E_RNA) where: Base-Base interactions energy: -11.823 where: short stacking energy: -11.823 Base-Backbone interact. energy: -0.070 local terms energy: -23.094895 where: bonds (distance) C4'-P energy: -4.036 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -6.728 flat angles P-C4'-P energy: -4.765 tors. eta vs tors. theta energy: -0.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 108 Temperature: 1.250000 Total energy: -28.139670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.139670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.139670 (E_RNA) where: Base-Base interactions energy: -6.395 where: short stacking energy: -6.395 Base-Backbone interact. energy: -0.001 local terms energy: -21.743208 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -5.730 flat angles C4'-P-C4' energy: -4.904 flat angles P-C4'-P energy: -3.005 tors. eta vs tors. theta energy: -1.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 108 Temperature: 1.300000 Total energy: -35.296598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.296598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.296598 (E_RNA) where: Base-Base interactions energy: -11.774 where: short stacking energy: -11.774 Base-Backbone interact. energy: -0.001 local terms energy: -23.521922 where: bonds (distance) C4'-P energy: -3.382 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.462 flat angles P-C4'-P energy: -5.106 tors. eta vs tors. theta energy: -2.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 108 Temperature: 1.350000 Total energy: -27.589513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.589513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.589513 (E_RNA) where: Base-Base interactions energy: -8.370 where: short stacking energy: -8.370 Base-Backbone interact. energy: 0.267 local terms energy: -19.486235 where: bonds (distance) C4'-P energy: -4.098 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -5.432 flat angles P-C4'-P energy: -3.198 tors. eta vs tors. theta energy: -0.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 109 Temperature: 0.900000 Total energy: -42.071658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.071658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.071658 (E_RNA) where: Base-Base interactions energy: -17.529 where: short stacking energy: -17.529 Base-Backbone interact. energy: -0.016 local terms energy: -24.526612 where: bonds (distance) C4'-P energy: -4.574 bonds (distance) P-C4' energy: -5.594 flat angles C4'-P-C4' energy: -5.242 flat angles P-C4'-P energy: -5.601 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: 2, replica: 5 ===================================== Write number: 109 Temperature: 0.950000 Total energy: -37.380442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.380442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.380442 (E_RNA) where: Base-Base interactions energy: -12.512 where: short stacking energy: -12.512 Base-Backbone interact. energy: -0.000 local terms energy: -24.867753 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -4.363 flat angles P-C4'-P energy: -4.485 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: 3, replica: 6 ===================================== Write number: 109 Temperature: 1.000000 Total energy: -36.770538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.770538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.770538 (E_RNA) where: Base-Base interactions energy: -13.035 where: short stacking energy: -13.035 Base-Backbone interact. energy: -0.123 local terms energy: -23.612407 where: bonds (distance) C4'-P energy: -5.473 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -4.859 flat angles P-C4'-P energy: -3.539 tors. eta vs tors. theta energy: -2.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 109 Temperature: 1.050000 Total energy: -36.782871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.782871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.782871 (E_RNA) where: Base-Base interactions energy: -14.353 where: short stacking energy: -14.353 Base-Backbone interact. energy: 0.093 local terms energy: -22.522863 where: bonds (distance) C4'-P energy: -6.246 bonds (distance) P-C4' energy: -6.438 flat angles C4'-P-C4' energy: -5.607 flat angles P-C4'-P energy: -3.704 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: 5, replica: 2 ===================================== Write number: 109 Temperature: 1.100000 Total energy: -35.759050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.759050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.759050 (E_RNA) where: Base-Base interactions energy: -13.384 where: short stacking energy: -13.384 Base-Backbone interact. energy: -0.026 local terms energy: -22.348715 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -5.837 flat angles C4'-P-C4' energy: -5.446 flat angles P-C4'-P energy: -3.230 tors. eta vs tors. theta energy: -2.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 109 Temperature: 1.150000 Total energy: -33.482025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.482025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.482025 (E_RNA) where: Base-Base interactions energy: -13.333 where: short stacking energy: -13.333 Base-Backbone interact. energy: -0.093 local terms energy: -20.055859 where: bonds (distance) C4'-P energy: -4.632 bonds (distance) P-C4' energy: -5.343 flat angles C4'-P-C4' energy: -4.913 flat angles P-C4'-P energy: -3.185 tors. eta vs tors. theta energy: -1.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 109 Temperature: 1.200000 Total energy: -31.342235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.342235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.342235 (E_RNA) where: Base-Base interactions energy: -8.752 where: short stacking energy: -8.752 Base-Backbone interact. energy: -0.000 local terms energy: -22.589919 where: bonds (distance) C4'-P energy: -4.611 bonds (distance) P-C4' energy: -6.389 flat angles C4'-P-C4' energy: -6.051 flat angles P-C4'-P energy: -4.108 tors. eta vs tors. theta energy: -1.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 109 Temperature: 1.250000 Total energy: -33.800265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.800265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.800265 (E_RNA) where: Base-Base interactions energy: -10.050 where: short stacking energy: -10.050 Base-Backbone interact. energy: -0.000 local terms energy: -23.750173 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -5.509 flat angles C4'-P-C4' energy: -4.376 flat angles P-C4'-P energy: -3.987 tors. eta vs tors. theta energy: -3.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 109 Temperature: 1.300000 Total energy: -32.429480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.429480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.429480 (E_RNA) where: Base-Base interactions energy: -12.927 where: short stacking energy: -12.927 Base-Backbone interact. energy: -0.000 local terms energy: -19.501970 where: bonds (distance) C4'-P energy: -3.431 bonds (distance) P-C4' energy: -6.653 flat angles C4'-P-C4' energy: -2.464 flat angles P-C4'-P energy: -3.588 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: 10, replica: 9 ===================================== Write number: 109 Temperature: 1.350000 Total energy: -31.077592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.077592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.077592 (E_RNA) where: Base-Base interactions energy: -12.721 where: short stacking energy: -12.721 Base-Backbone interact. energy: -0.078 local terms energy: -18.278692 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -3.494 flat angles C4'-P-C4' energy: -5.760 flat angles P-C4'-P energy: -2.772 tors. eta vs tors. theta energy: -0.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 110 Temperature: 0.900000 Total energy: -40.215504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.215504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.215504 (E_RNA) where: Base-Base interactions energy: -14.228 where: short stacking energy: -14.228 Base-Backbone interact. energy: -0.000 local terms energy: -25.987816 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -4.780 flat angles P-C4'-P energy: -3.950 tors. eta vs tors. theta energy: -4.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 110 Temperature: 0.950000 Total energy: -37.758654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.758654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.758654 (E_RNA) where: Base-Base interactions energy: -14.571 where: short stacking energy: -14.571 Base-Backbone interact. energy: -0.000 local terms energy: -23.188009 where: bonds (distance) C4'-P energy: -4.624 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -4.513 flat angles P-C4'-P energy: -4.628 tors. eta vs tors. theta energy: -4.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 110 Temperature: 1.000000 Total energy: -36.202412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.202412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.202412 (E_RNA) where: Base-Base interactions energy: -13.076 where: short stacking energy: -13.076 Base-Backbone interact. energy: -0.015 local terms energy: -23.110824 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -4.900 flat angles P-C4'-P energy: -3.418 tors. eta vs tors. theta energy: -1.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 110 Temperature: 1.050000 Total energy: -36.457617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.457617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.457617 (E_RNA) where: Base-Base interactions energy: -12.910 where: short stacking energy: -12.910 Base-Backbone interact. energy: -0.003 local terms energy: -23.544497 where: bonds (distance) C4'-P energy: -4.098 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -6.082 flat angles P-C4'-P energy: -4.098 tors. eta vs tors. theta energy: -3.307 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: 5, replica: 2 ===================================== Write number: 110 Temperature: 1.100000 Total energy: -35.077291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.077291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.077291 (E_RNA) where: Base-Base interactions energy: -10.515 where: short stacking energy: -10.515 Base-Backbone interact. energy: -0.000 local terms energy: -24.561784 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.363 flat angles P-C4'-P energy: -5.581 tors. eta vs tors. theta energy: -0.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 110 Temperature: 1.150000 Total energy: -34.957096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.957096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.957096 (E_RNA) where: Base-Base interactions energy: -13.478 where: short stacking energy: -13.478 Base-Backbone interact. energy: -0.044 local terms energy: -21.435549 where: bonds (distance) C4'-P energy: -5.419 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -5.268 flat angles P-C4'-P energy: -3.927 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: 10 ===================================== Write number: 110 Temperature: 1.200000 Total energy: -27.231050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.231050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.231050 (E_RNA) where: Base-Base interactions energy: -3.986 where: short stacking energy: -3.986 Base-Backbone interact. energy: -0.000 local terms energy: -23.244473 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -4.756 flat angles P-C4'-P energy: -3.615 tors. eta vs tors. theta energy: -1.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 110 Temperature: 1.250000 Total energy: -31.107708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.107708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.107708 (E_RNA) where: Base-Base interactions energy: -7.932 where: short stacking energy: -7.932 Base-Backbone interact. energy: -0.003 local terms energy: -23.172220 where: bonds (distance) C4'-P energy: -4.479 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -5.560 flat angles P-C4'-P energy: -4.967 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: 9, replica: 9 ===================================== Write number: 110 Temperature: 1.300000 Total energy: -29.132274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.132274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.132274 (E_RNA) where: Base-Base interactions energy: -8.496 where: short stacking energy: -8.496 Base-Backbone interact. energy: -0.003 local terms energy: -20.633836 where: bonds (distance) C4'-P energy: -5.075 bonds (distance) P-C4' energy: -4.874 flat angles C4'-P-C4' energy: -5.319 flat angles P-C4'-P energy: -3.334 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: 10, replica: 3 ===================================== Write number: 110 Temperature: 1.350000 Total energy: -27.788391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.788391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.788391 (E_RNA) where: Base-Base interactions energy: -10.808 where: short stacking energy: -10.808 Base-Backbone interact. energy: -0.011 local terms energy: -16.969704 where: bonds (distance) C4'-P energy: -2.649 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -6.744 flat angles P-C4'-P energy: -1.114 tors. eta vs tors. theta energy: 0.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 111 Temperature: 0.900000 Total energy: -42.197759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.197759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.197759 (E_RNA) where: Base-Base interactions energy: -17.596 where: short stacking energy: -17.596 Base-Backbone interact. energy: -0.000 local terms energy: -24.601951 where: bonds (distance) C4'-P energy: -5.091 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -4.702 flat angles P-C4'-P energy: -4.625 tors. eta vs tors. theta energy: -3.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 111 Temperature: 0.950000 Total energy: -37.359396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.359396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.359396 (E_RNA) where: Base-Base interactions energy: -11.015 where: short stacking energy: -11.015 Base-Backbone interact. energy: -0.484 local terms energy: -25.860216 where: bonds (distance) C4'-P energy: -5.866 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.919 flat angles P-C4'-P energy: -4.590 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: 3, replica: 1 ===================================== Write number: 111 Temperature: 1.000000 Total energy: -37.148475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.148475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.148475 (E_RNA) where: Base-Base interactions energy: -13.617 where: short stacking energy: -13.617 Base-Backbone interact. energy: -0.000 local terms energy: -23.531477 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -5.612 flat angles P-C4'-P energy: -2.926 tors. eta vs tors. theta energy: -2.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 111 Temperature: 1.050000 Total energy: -37.093771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.093771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.093771 (E_RNA) where: Base-Base interactions energy: -13.114 where: short stacking energy: -13.114 Base-Backbone interact. energy: -0.014 local terms energy: -23.966126 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -3.984 flat angles P-C4'-P energy: -4.369 tors. eta vs tors. theta energy: -3.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 111 Temperature: 1.100000 Total energy: -29.588120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.588120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.588120 (E_RNA) where: Base-Base interactions energy: -10.861 where: short stacking energy: -10.861 Base-Backbone interact. energy: -0.182 local terms energy: -18.544685 where: bonds (distance) C4'-P energy: -4.880 bonds (distance) P-C4' energy: -5.956 flat angles C4'-P-C4' energy: -4.664 flat angles P-C4'-P energy: -3.330 tors. eta vs tors. theta energy: 0.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 111 Temperature: 1.150000 Total energy: -34.722670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.722670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.722670 (E_RNA) where: Base-Base interactions energy: -10.135 where: short stacking energy: -10.135 Base-Backbone interact. energy: -0.028 local terms energy: -24.560006 where: bonds (distance) C4'-P energy: -5.518 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -5.478 flat angles P-C4'-P energy: -4.686 tors. eta vs tors. theta energy: -1.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 111 Temperature: 1.200000 Total energy: -28.889968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.889968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.889968 (E_RNA) where: Base-Base interactions energy: -9.677 where: short stacking energy: -9.677 Base-Backbone interact. energy: -0.001 local terms energy: -19.211478 where: bonds (distance) C4'-P energy: -5.348 bonds (distance) P-C4' energy: -3.997 flat angles C4'-P-C4' energy: -5.543 flat angles P-C4'-P energy: -3.034 tors. eta vs tors. theta energy: -1.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 111 Temperature: 1.250000 Total energy: -31.046936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.046936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.046936 (E_RNA) where: Base-Base interactions energy: -14.364 where: short stacking energy: -14.364 Base-Backbone interact. energy: -0.148 local terms energy: -16.535200 where: bonds (distance) C4'-P energy: -5.368 bonds (distance) P-C4' energy: -4.167 flat angles C4'-P-C4' energy: -4.451 flat angles P-C4'-P energy: -0.661 tors. eta vs tors. theta energy: -1.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 111 Temperature: 1.300000 Total energy: -31.442330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.442330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.442330 (E_RNA) where: Base-Base interactions energy: -7.810 where: short stacking energy: -7.810 Base-Backbone interact. energy: -0.009 local terms energy: -23.623382 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -4.913 flat angles P-C4'-P energy: -4.799 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: 10, replica: 3 ===================================== Write number: 111 Temperature: 1.350000 Total energy: -26.953852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.953852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.953852 (E_RNA) where: Base-Base interactions energy: -6.247 where: short stacking energy: -6.247 Base-Backbone interact. energy: 0.252 local terms energy: -20.958556 where: bonds (distance) C4'-P energy: -5.091 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -4.798 flat angles P-C4'-P energy: -4.413 tors. eta vs tors. theta energy: 0.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 112 Temperature: 0.900000 Total energy: -43.362975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.362975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.362975 (E_RNA) where: Base-Base interactions energy: -17.638 where: short stacking energy: -17.638 Base-Backbone interact. energy: -0.000 local terms energy: -25.725318 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -4.920 flat angles C4'-P-C4' energy: -5.052 flat angles P-C4'-P energy: -4.523 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: 2, replica: 5 ===================================== Write number: 112 Temperature: 0.950000 Total energy: -38.617523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.617523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.617523 (E_RNA) where: Base-Base interactions energy: -16.786 where: short stacking energy: -16.786 Base-Backbone interact. energy: -0.048 local terms energy: -21.783287 where: bonds (distance) C4'-P energy: -3.779 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -6.078 flat angles P-C4'-P energy: -3.793 tors. eta vs tors. theta energy: -2.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 112 Temperature: 1.000000 Total energy: -36.954563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.954563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.954563 (E_RNA) where: Base-Base interactions energy: -12.680 where: short stacking energy: -12.680 Base-Backbone interact. energy: -0.001 local terms energy: -24.274106 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -5.092 flat angles P-C4'-P energy: -3.477 tors. eta vs tors. theta energy: -3.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 112 Temperature: 1.050000 Total energy: -33.166690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.166690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.166690 (E_RNA) where: Base-Base interactions energy: -8.705 where: short stacking energy: -8.705 Base-Backbone interact. energy: -0.000 local terms energy: -24.461603 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -6.342 flat angles P-C4'-P energy: -2.497 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: 5, replica: 10 ===================================== Write number: 112 Temperature: 1.100000 Total energy: -30.719990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.719990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.719990 (E_RNA) where: Base-Base interactions energy: -10.530 where: short stacking energy: -10.530 Base-Backbone interact. energy: -0.086 local terms energy: -20.103699 where: bonds (distance) C4'-P energy: -5.368 bonds (distance) P-C4' energy: -4.854 flat angles C4'-P-C4' energy: -6.533 flat angles P-C4'-P energy: -2.187 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: 6, replica: 6 ===================================== Write number: 112 Temperature: 1.150000 Total energy: -36.975366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.975366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.975366 (E_RNA) where: Base-Base interactions energy: -12.996 where: short stacking energy: -12.996 Base-Backbone interact. energy: -0.004 local terms energy: -23.974758 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -6.432 flat angles C4'-P-C4' energy: -4.764 flat angles P-C4'-P energy: -2.301 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: 7, replica: 9 ===================================== Write number: 112 Temperature: 1.200000 Total energy: -35.166233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.166233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.166233 (E_RNA) where: Base-Base interactions energy: -13.644 where: short stacking energy: -13.644 Base-Backbone interact. energy: -0.000 local terms energy: -21.521803 where: bonds (distance) C4'-P energy: -3.530 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -3.760 flat angles P-C4'-P energy: -4.035 tors. eta vs tors. theta energy: -3.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 112 Temperature: 1.250000 Total energy: -28.335891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.335891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.335891 (E_RNA) where: Base-Base interactions energy: -6.117 where: short stacking energy: -6.117 Base-Backbone interact. energy: -0.015 local terms energy: -22.203079 where: bonds (distance) C4'-P energy: -4.036 bonds (distance) P-C4' energy: -6.615 flat angles C4'-P-C4' energy: -5.338 flat angles P-C4'-P energy: -4.681 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: 3 ===================================== Write number: 112 Temperature: 1.300000 Total energy: -33.003685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.003685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.003685 (E_RNA) where: Base-Base interactions energy: -10.236 where: short stacking energy: -10.236 Base-Backbone interact. energy: -0.019 local terms energy: -22.748524 where: bonds (distance) C4'-P energy: -4.864 bonds (distance) P-C4' energy: -6.392 flat angles C4'-P-C4' energy: -4.671 flat angles P-C4'-P energy: -5.507 tors. eta vs tors. theta energy: -1.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 112 Temperature: 1.350000 Total energy: -32.709503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.709503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.709503 (E_RNA) where: Base-Base interactions energy: -10.258 where: short stacking energy: -10.258 Base-Backbone interact. energy: -0.038 local terms energy: -22.413276 where: bonds (distance) C4'-P energy: -4.719 bonds (distance) P-C4' energy: -5.597 flat angles C4'-P-C4' energy: -5.565 flat angles P-C4'-P energy: -2.433 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: 1, replica: 8 ===================================== Write number: 113 Temperature: 0.900000 Total energy: -37.727602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.727602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.727602 (E_RNA) where: Base-Base interactions energy: -14.968 where: short stacking energy: -14.968 Base-Backbone interact. energy: -0.016 local terms energy: -22.744292 where: bonds (distance) C4'-P energy: -4.980 bonds (distance) P-C4' energy: -6.442 flat angles C4'-P-C4' energy: -5.034 flat angles P-C4'-P energy: -4.386 tors. eta vs tors. theta energy: -1.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 113 Temperature: 0.950000 Total energy: -44.055304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.055304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.055304 (E_RNA) where: Base-Base interactions energy: -18.670 where: short stacking energy: -18.670 Base-Backbone interact. energy: -0.000 local terms energy: -25.385243 where: bonds (distance) C4'-P energy: -4.777 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -4.936 flat angles P-C4'-P energy: -5.032 tors. eta vs tors. theta energy: -4.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 113 Temperature: 1.000000 Total energy: -37.425114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.425114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.425114 (E_RNA) where: Base-Base interactions energy: -11.941 where: short stacking energy: -11.442 Base-Backbone interact. energy: -0.000 local terms energy: -25.483762 where: bonds (distance) C4'-P energy: -5.688 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.641 flat angles P-C4'-P energy: -4.928 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: 4, replica: 2 ===================================== Write number: 113 Temperature: 1.050000 Total energy: -36.324403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.324403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.324403 (E_RNA) where: Base-Base interactions energy: -14.755 where: short stacking energy: -14.755 Base-Backbone interact. energy: -0.000 local terms energy: -21.569626 where: bonds (distance) C4'-P energy: -5.742 bonds (distance) P-C4' energy: -3.738 flat angles C4'-P-C4' energy: -4.147 flat angles P-C4'-P energy: -4.524 tors. eta vs tors. theta energy: -3.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 113 Temperature: 1.100000 Total energy: -35.327465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.327465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.327465 (E_RNA) where: Base-Base interactions energy: -13.551 where: short stacking energy: -13.551 Base-Backbone interact. energy: -0.000 local terms energy: -21.776831 where: bonds (distance) C4'-P energy: -4.400 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -5.353 flat angles P-C4'-P energy: -2.365 tors. eta vs tors. theta energy: -3.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 113 Temperature: 1.150000 Total energy: -32.433927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.433927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.433927 (E_RNA) where: Base-Base interactions energy: -8.764 where: short stacking energy: -8.764 Base-Backbone interact. energy: -0.000 local terms energy: -23.669643 where: bonds (distance) C4'-P energy: -6.470 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -6.470 flat angles P-C4'-P energy: -1.392 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: 6 ===================================== Write number: 113 Temperature: 1.200000 Total energy: -33.304149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.304149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.304149 (E_RNA) where: Base-Base interactions energy: -9.446 where: short stacking energy: -9.446 Base-Backbone interact. energy: -0.002 local terms energy: -23.856005 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -5.583 flat angles P-C4'-P energy: -3.121 tors. eta vs tors. theta energy: -2.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 113 Temperature: 1.250000 Total energy: -31.178054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.178054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.178054 (E_RNA) where: Base-Base interactions energy: -9.375 where: short stacking energy: -9.375 Base-Backbone interact. energy: -0.066 local terms energy: -21.736390 where: bonds (distance) C4'-P energy: -4.624 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -4.274 flat angles P-C4'-P energy: -5.113 tors. eta vs tors. theta energy: -1.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 113 Temperature: 1.300000 Total energy: -31.904413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.904413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.904413 (E_RNA) where: Base-Base interactions energy: -12.706 where: short stacking energy: -12.706 Base-Backbone interact. energy: -0.090 local terms energy: -19.108144 where: bonds (distance) C4'-P energy: -4.354 bonds (distance) P-C4' energy: -4.370 flat angles C4'-P-C4' energy: -5.537 flat angles P-C4'-P energy: -4.154 tors. eta vs tors. theta energy: -0.693 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: 7 ===================================== Write number: 113 Temperature: 1.350000 Total energy: -28.226085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.226085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.226085 (E_RNA) where: Base-Base interactions energy: -7.669 where: short stacking energy: -7.669 Base-Backbone interact. energy: -0.100 local terms energy: -20.456971 where: bonds (distance) C4'-P energy: -5.216 bonds (distance) P-C4' energy: -5.143 flat angles C4'-P-C4' energy: -5.732 flat angles P-C4'-P energy: -4.586 tors. eta vs tors. theta energy: 0.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 114 Temperature: 0.900000 Total energy: -40.478506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.478506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.478506 (E_RNA) where: Base-Base interactions energy: -15.501 where: short stacking energy: -15.501 Base-Backbone interact. energy: -0.003 local terms energy: -24.975055 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -6.457 flat angles C4'-P-C4' energy: -5.314 flat angles P-C4'-P energy: -4.610 tors. eta vs tors. theta energy: -2.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 114 Temperature: 0.950000 Total energy: -37.905506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.905506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.905506 (E_RNA) where: Base-Base interactions energy: -11.652 where: short stacking energy: -11.652 Base-Backbone interact. energy: -0.083 local terms energy: -26.170180 where: bonds (distance) C4'-P energy: -4.515 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -6.116 flat angles P-C4'-P energy: -3.287 tors. eta vs tors. theta energy: -5.377 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: 2 ===================================== Write number: 114 Temperature: 1.000000 Total energy: -32.572027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.572027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.572027 (E_RNA) where: Base-Base interactions energy: -9.229 where: short stacking energy: -9.229 Base-Backbone interact. energy: -0.011 local terms energy: -23.331573 where: bonds (distance) C4'-P energy: -6.105 bonds (distance) P-C4' energy: -4.417 flat angles C4'-P-C4' energy: -5.960 flat angles P-C4'-P energy: -3.011 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: 5 ===================================== Write number: 114 Temperature: 1.050000 Total energy: -35.035533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.035533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.035533 (E_RNA) where: Base-Base interactions energy: -15.530 where: short stacking energy: -15.530 Base-Backbone interact. energy: 0.346 local terms energy: -19.851076 where: bonds (distance) C4'-P energy: -5.419 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -3.279 flat angles P-C4'-P energy: -3.264 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: 5, replica: 9 ===================================== Write number: 114 Temperature: 1.100000 Total energy: -35.099686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.099686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.099686 (E_RNA) where: Base-Base interactions energy: -9.437 where: short stacking energy: -8.005 Base-Backbone interact. energy: -0.001 local terms energy: -25.661734 where: bonds (distance) C4'-P energy: -5.199 bonds (distance) P-C4' energy: -5.146 flat angles C4'-P-C4' energy: -5.807 flat angles P-C4'-P energy: -4.673 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: 6, replica: 10 ===================================== Write number: 114 Temperature: 1.150000 Total energy: -32.037328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.037328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.037328 (E_RNA) where: Base-Base interactions energy: -8.523 where: short stacking energy: -8.523 Base-Backbone interact. energy: -0.043 local terms energy: -23.470946 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -5.853 flat angles P-C4'-P energy: -2.953 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: 7, replica: 3 ===================================== Write number: 114 Temperature: 1.200000 Total energy: -31.357664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.357664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.357664 (E_RNA) where: Base-Base interactions energy: -8.387 where: short stacking energy: -8.387 Base-Backbone interact. energy: -0.343 local terms energy: -22.628129 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -6.622 flat angles C4'-P-C4' energy: -6.662 flat angles P-C4'-P energy: -4.912 tors. eta vs tors. theta energy: 1.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 114 Temperature: 1.250000 Total energy: -31.791869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.791869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.791869 (E_RNA) where: Base-Base interactions energy: -9.153 where: short stacking energy: -9.153 Base-Backbone interact. energy: -0.009 local terms energy: -22.629478 where: bonds (distance) C4'-P energy: -5.617 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -5.094 flat angles P-C4'-P energy: -3.880 tors. eta vs tors. theta energy: -0.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 114 Temperature: 1.300000 Total energy: -37.836720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.836720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.836720 (E_RNA) where: Base-Base interactions energy: -12.535 where: short stacking energy: -12.535 Base-Backbone interact. energy: -0.000 local terms energy: -25.301640 where: bonds (distance) C4'-P energy: -5.572 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.340 flat angles P-C4'-P energy: -4.356 tors. eta vs tors. theta energy: -4.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 114 Temperature: 1.350000 Total energy: -28.807056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.807056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.807056 (E_RNA) where: Base-Base interactions energy: -8.436 where: short stacking energy: -8.436 Base-Backbone interact. energy: -0.002 local terms energy: -20.369339 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -5.501 flat angles P-C4'-P energy: -3.160 tors. eta vs tors. theta energy: -0.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 115 Temperature: 0.900000 Total energy: -35.480960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.480960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.480960 (E_RNA) where: Base-Base interactions energy: -11.121 where: short stacking energy: -11.121 Base-Backbone interact. energy: -0.058 local terms energy: -24.302729 where: bonds (distance) C4'-P energy: -5.766 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -6.097 flat angles P-C4'-P energy: -5.260 tors. eta vs tors. theta energy: -0.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 115 Temperature: 0.950000 Total energy: -33.123485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.123485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.123485 (E_RNA) where: Base-Base interactions energy: -9.284 where: short stacking energy: -9.284 Base-Backbone interact. energy: -0.124 local terms energy: -23.715571 where: bonds (distance) C4'-P energy: -5.891 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -4.493 flat angles P-C4'-P energy: -4.728 tors. eta vs tors. theta energy: -2.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 115 Temperature: 1.000000 Total energy: -33.215909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.215909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.215909 (E_RNA) where: Base-Base interactions energy: -10.324 where: short stacking energy: -10.324 Base-Backbone interact. energy: -0.003 local terms energy: -22.889823 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -5.889 flat angles C4'-P-C4' energy: -3.988 flat angles P-C4'-P energy: -4.968 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: 4, replica: 5 ===================================== Write number: 115 Temperature: 1.050000 Total energy: -32.389252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.389252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.389252 (E_RNA) where: Base-Base interactions energy: -9.957 where: short stacking energy: -9.957 Base-Backbone interact. energy: -0.000 local terms energy: -22.432065 where: bonds (distance) C4'-P energy: -5.100 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -3.896 flat angles P-C4'-P energy: -3.612 tors. eta vs tors. theta energy: -3.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 115 Temperature: 1.100000 Total energy: -37.584008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.584008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.584008 (E_RNA) where: Base-Base interactions energy: -12.567 where: short stacking energy: -12.567 Base-Backbone interact. energy: 0.041 local terms energy: -25.057716 where: bonds (distance) C4'-P energy: -4.682 bonds (distance) P-C4' energy: -5.044 flat angles C4'-P-C4' energy: -6.369 flat angles P-C4'-P energy: -4.779 tors. eta vs tors. theta energy: -4.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 115 Temperature: 1.150000 Total energy: -33.641854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.641854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.641854 (E_RNA) where: Base-Base interactions energy: -7.433 where: short stacking energy: -7.433 Base-Backbone interact. energy: -0.000 local terms energy: -26.208929 where: bonds (distance) C4'-P energy: -5.775 bonds (distance) P-C4' energy: -6.361 flat angles C4'-P-C4' energy: -5.866 flat angles P-C4'-P energy: -4.148 tors. eta vs tors. theta energy: -4.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 115 Temperature: 1.200000 Total energy: -37.852775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.852775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.852775 (E_RNA) where: Base-Base interactions energy: -16.263 where: short stacking energy: -16.263 Base-Backbone interact. energy: -0.053 local terms energy: -21.537317 where: bonds (distance) C4'-P energy: -3.982 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.831 flat angles P-C4'-P energy: -3.522 tors. eta vs tors. theta energy: -2.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 115 Temperature: 1.250000 Total energy: -33.708990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.708990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.708990 (E_RNA) where: Base-Base interactions energy: -9.641 where: short stacking energy: -9.641 Base-Backbone interact. energy: -0.001 local terms energy: -24.067398 where: bonds (distance) C4'-P energy: -5.775 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -4.201 flat angles P-C4'-P energy: -3.863 tors. eta vs tors. theta energy: -3.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 115 Temperature: 1.300000 Total energy: -29.104653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.104653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.104653 (E_RNA) where: Base-Base interactions energy: -9.355 where: short stacking energy: -9.355 Base-Backbone interact. energy: -0.010 local terms energy: -19.739471 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -5.916 flat angles C4'-P-C4' energy: -3.793 flat angles P-C4'-P energy: -2.830 tors. eta vs tors. theta energy: -1.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 115 Temperature: 1.350000 Total energy: -28.344691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.344691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.344691 (E_RNA) where: Base-Base interactions energy: -9.220 where: short stacking energy: -9.220 Base-Backbone interact. energy: -0.001 local terms energy: -19.123739 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -4.892 flat angles C4'-P-C4' energy: -4.444 flat angles P-C4'-P energy: -2.859 tors. eta vs tors. theta energy: -1.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 116 Temperature: 0.900000 Total energy: -36.281340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.281340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.281340 (E_RNA) where: Base-Base interactions energy: -12.599 where: short stacking energy: -12.599 Base-Backbone interact. energy: -0.007 local terms energy: -23.675367 where: bonds (distance) C4'-P energy: -4.975 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.587 flat angles P-C4'-P energy: -2.888 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: 2 ===================================== Write number: 116 Temperature: 0.950000 Total energy: -40.489517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.489517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.489517 (E_RNA) where: Base-Base interactions energy: -13.393 where: short stacking energy: -13.393 Base-Backbone interact. energy: -0.005 local terms energy: -27.090903 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -6.005 flat angles P-C4'-P energy: -3.723 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: 3, replica: 5 ===================================== Write number: 116 Temperature: 1.000000 Total energy: -38.574549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.574549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.574549 (E_RNA) where: Base-Base interactions energy: -12.216 where: short stacking energy: -12.216 Base-Backbone interact. energy: -0.003 local terms energy: -26.355527 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -5.288 flat angles P-C4'-P energy: -4.100 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: 4, replica: 8 ===================================== Write number: 116 Temperature: 1.050000 Total energy: -40.089946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.089946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.089946 (E_RNA) where: Base-Base interactions energy: -17.734 where: short stacking energy: -17.734 Base-Backbone interact. energy: -0.000 local terms energy: -22.355151 where: bonds (distance) C4'-P energy: -3.415 bonds (distance) P-C4' energy: -5.730 flat angles C4'-P-C4' energy: -3.659 flat angles P-C4'-P energy: -4.139 tors. eta vs tors. theta energy: -5.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 116 Temperature: 1.100000 Total energy: -38.659585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.659585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.659585 (E_RNA) where: Base-Base interactions energy: -13.045 where: short stacking energy: -13.045 Base-Backbone interact. energy: -0.000 local terms energy: -25.614382 where: bonds (distance) C4'-P energy: -5.047 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -5.678 flat angles P-C4'-P energy: -4.003 tors. eta vs tors. theta energy: -4.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 116 Temperature: 1.150000 Total energy: -36.448441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.448441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.448441 (E_RNA) where: Base-Base interactions energy: -14.099 where: short stacking energy: -14.099 Base-Backbone interact. energy: -0.000 local terms energy: -22.349183 where: bonds (distance) C4'-P energy: -4.316 bonds (distance) P-C4' energy: -5.276 flat angles C4'-P-C4' energy: -4.416 flat angles P-C4'-P energy: -3.774 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: 7, replica: 7 ===================================== Write number: 116 Temperature: 1.200000 Total energy: -31.517831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.517831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.517831 (E_RNA) where: Base-Base interactions energy: -11.975 where: short stacking energy: -11.975 Base-Backbone interact. energy: -0.064 local terms energy: -19.478522 where: bonds (distance) C4'-P energy: -5.696 bonds (distance) P-C4' energy: -4.656 flat angles C4'-P-C4' energy: -5.336 flat angles P-C4'-P energy: -3.206 tors. eta vs tors. theta energy: -0.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 116 Temperature: 1.250000 Total energy: -31.481578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.481578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.481578 (E_RNA) where: Base-Base interactions energy: -9.153 where: short stacking energy: -9.153 Base-Backbone interact. energy: -0.000 local terms energy: -22.328659 where: bonds (distance) C4'-P energy: -2.578 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -5.936 flat angles P-C4'-P energy: -4.565 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: 9, replica: 4 ===================================== Write number: 116 Temperature: 1.300000 Total energy: -31.510568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.510568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.510568 (E_RNA) where: Base-Base interactions energy: -12.389 where: short stacking energy: -12.389 Base-Backbone interact. energy: 0.457 local terms energy: -19.578839 where: bonds (distance) C4'-P energy: -4.570 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -1.966 flat angles P-C4'-P energy: -5.364 tors. eta vs tors. theta energy: -0.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 116 Temperature: 1.350000 Total energy: -31.534480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.534480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.534480 (E_RNA) where: Base-Base interactions energy: -8.812 where: short stacking energy: -8.812 Base-Backbone interact. energy: -0.006 local terms energy: -22.716054 where: bonds (distance) C4'-P energy: -5.518 bonds (distance) P-C4' energy: -5.920 flat angles C4'-P-C4' energy: -4.793 flat angles P-C4'-P energy: -4.125 tors. eta vs tors. theta energy: -2.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 117 Temperature: 0.900000 Total energy: -36.990895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.990895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.990895 (E_RNA) where: Base-Base interactions energy: -11.521 where: short stacking energy: -11.521 Base-Backbone interact. energy: -0.032 local terms energy: -25.438154 where: bonds (distance) C4'-P energy: -5.750 bonds (distance) P-C4' energy: -5.512 flat angles C4'-P-C4' energy: -5.055 flat angles P-C4'-P energy: -5.570 tors. eta vs tors. theta energy: -3.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 117 Temperature: 0.950000 Total energy: -39.237464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.237464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.237464 (E_RNA) where: Base-Base interactions energy: -14.745 where: short stacking energy: -14.745 Base-Backbone interact. energy: -0.000 local terms energy: -24.492940 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -5.455 flat angles P-C4'-P energy: -2.465 tors. eta vs tors. theta energy: -4.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 117 Temperature: 1.000000 Total energy: -38.298599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.298599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.298599 (E_RNA) where: Base-Base interactions energy: -12.113 where: short stacking energy: -12.113 Base-Backbone interact. energy: -0.009 local terms energy: -26.176014 where: bonds (distance) C4'-P energy: -5.225 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -6.342 flat angles P-C4'-P energy: -4.912 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: 4, replica: 3 ===================================== Write number: 117 Temperature: 1.050000 Total energy: -39.652658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.652658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.652658 (E_RNA) where: Base-Base interactions energy: -13.739 where: short stacking energy: -13.739 Base-Backbone interact. energy: -0.001 local terms energy: -25.912879 where: bonds (distance) C4'-P energy: -5.109 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -6.258 flat angles P-C4'-P energy: -4.787 tors. eta vs tors. theta energy: -2.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 117 Temperature: 1.100000 Total energy: -34.444147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.444147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.444147 (E_RNA) where: Base-Base interactions energy: -11.413 where: short stacking energy: -11.413 Base-Backbone interact. energy: -0.000 local terms energy: -23.030700 where: bonds (distance) C4'-P energy: -4.905 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.689 flat angles P-C4'-P energy: -2.766 tors. eta vs tors. theta energy: -2.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 117 Temperature: 1.150000 Total energy: -34.653307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.653307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.653307 (E_RNA) where: Base-Base interactions energy: -13.694 where: short stacking energy: -13.694 Base-Backbone interact. energy: -0.003 local terms energy: -20.956279 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -4.583 flat angles P-C4'-P energy: -0.359 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: 7, replica: 7 ===================================== Write number: 117 Temperature: 1.200000 Total energy: -33.611862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.611862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.611862 (E_RNA) where: Base-Base interactions energy: -10.932 where: short stacking energy: -10.932 Base-Backbone interact. energy: -0.059 local terms energy: -22.621471 where: bonds (distance) C4'-P energy: -5.117 bonds (distance) P-C4' energy: -5.346 flat angles C4'-P-C4' energy: -5.448 flat angles P-C4'-P energy: -5.260 tors. eta vs tors. theta energy: -1.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 117 Temperature: 1.250000 Total energy: -26.592198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.592198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.592198 (E_RNA) where: Base-Base interactions energy: -8.007 where: short stacking energy: -8.007 Base-Backbone interact. energy: -0.003 local terms energy: -18.582865 where: bonds (distance) C4'-P energy: -3.316 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -4.601 flat angles P-C4'-P energy: -1.808 tors. eta vs tors. theta energy: -2.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 117 Temperature: 1.300000 Total energy: -29.581716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.581716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.581716 (E_RNA) where: Base-Base interactions energy: -12.582 where: short stacking energy: -12.582 Base-Backbone interact. energy: -0.103 local terms energy: -16.896391 where: bonds (distance) C4'-P energy: -3.360 bonds (distance) P-C4' energy: -5.076 flat angles C4'-P-C4' energy: -6.055 flat angles P-C4'-P energy: -2.070 tors. eta vs tors. theta energy: -0.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 117 Temperature: 1.350000 Total energy: -30.870102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.870102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.870102 (E_RNA) where: Base-Base interactions energy: -7.483 where: short stacking energy: -7.483 Base-Backbone interact. energy: -0.000 local terms energy: -23.387375 where: bonds (distance) C4'-P energy: -5.261 bonds (distance) P-C4' energy: -5.530 flat angles C4'-P-C4' energy: -5.782 flat angles P-C4'-P energy: -4.227 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: 1, replica: 5 ===================================== Write number: 118 Temperature: 0.900000 Total energy: -42.554137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.554137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.554137 (E_RNA) where: Base-Base interactions energy: -14.194 where: short stacking energy: -14.194 Base-Backbone interact. energy: -0.000 local terms energy: -28.360541 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -5.943 flat angles P-C4'-P energy: -4.896 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: 1 ===================================== Write number: 118 Temperature: 0.950000 Total energy: -38.072373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.072373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.072373 (E_RNA) where: Base-Base interactions energy: -13.097 where: short stacking energy: -13.097 Base-Backbone interact. energy: -0.001 local terms energy: -24.973912 where: bonds (distance) C4'-P energy: -5.394 bonds (distance) P-C4' energy: -6.407 flat angles C4'-P-C4' energy: -5.236 flat angles P-C4'-P energy: -2.433 tors. eta vs tors. theta energy: -5.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 118 Temperature: 1.000000 Total energy: -38.839282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.839282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.839282 (E_RNA) where: Base-Base interactions energy: -13.849 where: short stacking energy: -13.849 Base-Backbone interact. energy: -0.000 local terms energy: -24.990717 where: bonds (distance) C4'-P energy: -4.284 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -3.742 flat angles P-C4'-P energy: -4.290 tors. eta vs tors. theta energy: -5.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 118 Temperature: 1.050000 Total energy: -39.274327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.274327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.274327 (E_RNA) where: Base-Base interactions energy: -14.135 where: short stacking energy: -14.135 Base-Backbone interact. energy: -0.004 local terms energy: -25.135579 where: bonds (distance) C4'-P energy: -6.462 bonds (distance) P-C4' energy: -5.107 flat angles C4'-P-C4' energy: -5.523 flat angles P-C4'-P energy: -4.914 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: 9 ===================================== Write number: 118 Temperature: 1.100000 Total energy: -35.238118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.238118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.238118 (E_RNA) where: Base-Base interactions energy: -11.858 where: short stacking energy: -11.858 Base-Backbone interact. energy: -0.002 local terms energy: -23.377651 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -5.272 flat angles P-C4'-P energy: -3.352 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: 6, replica: 8 ===================================== Write number: 118 Temperature: 1.150000 Total energy: -36.551389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.551389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.551389 (E_RNA) where: Base-Base interactions energy: -13.375 where: short stacking energy: -13.375 Base-Backbone interact. energy: -0.002 local terms energy: -23.174235 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -6.464 flat angles C4'-P-C4' energy: -3.465 flat angles P-C4'-P energy: -3.548 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: 7, replica: 4 ===================================== Write number: 118 Temperature: 1.200000 Total energy: -34.849938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.849938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.849938 (E_RNA) where: Base-Base interactions energy: -13.688 where: short stacking energy: -13.688 Base-Backbone interact. energy: 0.571 local terms energy: -21.732920 where: bonds (distance) C4'-P energy: -4.872 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -5.332 flat angles P-C4'-P energy: -4.842 tors. eta vs tors. theta energy: -0.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 118 Temperature: 1.250000 Total energy: -33.738661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.738661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.738661 (E_RNA) where: Base-Base interactions energy: -11.164 where: short stacking energy: -11.164 Base-Backbone interact. energy: -0.033 local terms energy: -22.542179 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -5.336 flat angles P-C4'-P energy: -2.289 tors. eta vs tors. theta energy: -3.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 118 Temperature: 1.300000 Total energy: -28.329307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.329307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.329307 (E_RNA) where: Base-Base interactions energy: -10.418 where: short stacking energy: -10.418 Base-Backbone interact. energy: -0.001 local terms energy: -17.910374 where: bonds (distance) C4'-P energy: -4.631 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -6.534 flat angles P-C4'-P energy: 0.248 tors. eta vs tors. theta energy: -0.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 118 Temperature: 1.350000 Total energy: -29.093144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.093144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.093144 (E_RNA) where: Base-Base interactions energy: -7.002 where: short stacking energy: -7.002 Base-Backbone interact. energy: -0.047 local terms energy: -22.043933 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -5.112 flat angles C4'-P-C4' energy: -4.661 flat angles P-C4'-P energy: -4.318 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: 5 ===================================== Write number: 119 Temperature: 0.900000 Total energy: -40.321820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.321820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.321820 (E_RNA) where: Base-Base interactions energy: -17.109 where: short stacking energy: -17.109 Base-Backbone interact. energy: -0.040 local terms energy: -23.172448 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -7.144 flat angles C4'-P-C4' energy: -5.709 flat angles P-C4'-P energy: -1.709 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: 2, replica: 2 ===================================== Write number: 119 Temperature: 0.950000 Total energy: -36.548662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.548662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.548662 (E_RNA) where: Base-Base interactions energy: -11.513 where: short stacking energy: -11.513 Base-Backbone interact. energy: -0.000 local terms energy: -25.035898 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.101 flat angles P-C4'-P energy: -3.269 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: 3, replica: 1 ===================================== Write number: 119 Temperature: 1.000000 Total energy: -38.921934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.921934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.921934 (E_RNA) where: Base-Base interactions energy: -16.193 where: short stacking energy: -15.467 Base-Backbone interact. energy: -0.001 local terms energy: -22.727561 where: bonds (distance) C4'-P energy: -4.703 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -4.677 flat angles P-C4'-P energy: -3.273 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: 119 Temperature: 1.050000 Total energy: -36.925758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.925758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.925758 (E_RNA) where: Base-Base interactions energy: -13.473 where: short stacking energy: -13.473 Base-Backbone interact. energy: -0.000 local terms energy: -23.452696 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -4.744 flat angles P-C4'-P energy: -3.009 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: 5, replica: 3 ===================================== Write number: 119 Temperature: 1.100000 Total energy: -36.195532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.195532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.195532 (E_RNA) where: Base-Base interactions energy: -16.975 where: short stacking energy: -16.975 Base-Backbone interact. energy: -0.001 local terms energy: -19.220164 where: bonds (distance) C4'-P energy: -5.075 bonds (distance) P-C4' energy: -5.889 flat angles C4'-P-C4' energy: -5.819 flat angles P-C4'-P energy: -1.479 tors. eta vs tors. theta energy: -0.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 119 Temperature: 1.150000 Total energy: -37.503303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.503303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.503303 (E_RNA) where: Base-Base interactions energy: -11.315 where: short stacking energy: -11.315 Base-Backbone interact. energy: -0.047 local terms energy: -26.141707 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -6.095 flat angles P-C4'-P energy: -2.919 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: 7, replica: 8 ===================================== Write number: 119 Temperature: 1.200000 Total energy: -29.464097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.464097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.464097 (E_RNA) where: Base-Base interactions energy: -7.734 where: short stacking energy: -7.734 Base-Backbone interact. energy: -0.012 local terms energy: -21.718167 where: bonds (distance) C4'-P energy: -5.667 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -4.741 flat angles P-C4'-P energy: -3.457 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: 8, replica: 7 ===================================== Write number: 119 Temperature: 1.250000 Total energy: -31.217773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.217773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.217773 (E_RNA) where: Base-Base interactions energy: -12.158 where: short stacking energy: -12.158 Base-Backbone interact. energy: -0.002 local terms energy: -19.057716 where: bonds (distance) C4'-P energy: -5.037 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -3.046 flat angles P-C4'-P energy: -0.818 tors. eta vs tors. theta energy: -3.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 119 Temperature: 1.300000 Total energy: -35.055230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.055230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.055230 (E_RNA) where: Base-Base interactions energy: -17.876 where: short stacking energy: -17.876 Base-Backbone interact. energy: -0.084 local terms energy: -17.095892 where: bonds (distance) C4'-P energy: -2.980 bonds (distance) P-C4' energy: -5.837 flat angles C4'-P-C4' energy: -4.160 flat angles P-C4'-P energy: -2.273 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: 10, replica: 6 ===================================== Write number: 119 Temperature: 1.350000 Total energy: -26.700584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.700584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.700584 (E_RNA) where: Base-Base interactions energy: -9.592 where: short stacking energy: -9.592 Base-Backbone interact. energy: -0.024 local terms energy: -17.084768 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -6.206 flat angles C4'-P-C4' energy: -3.767 flat angles P-C4'-P energy: -2.817 tors. eta vs tors. theta energy: 1.944 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: 2 ===================================== Write number: 120 Temperature: 0.900000 Total energy: -38.271780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.271780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.271780 (E_RNA) where: Base-Base interactions energy: -17.450 where: short stacking energy: -17.450 Base-Backbone interact. energy: -0.024 local terms energy: -20.797285 where: bonds (distance) C4'-P energy: -4.859 bonds (distance) P-C4' energy: -6.886 flat angles C4'-P-C4' energy: -5.586 flat angles P-C4'-P energy: -1.258 tors. eta vs tors. theta energy: -2.208 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: 5 ===================================== Write number: 120 Temperature: 0.950000 Total energy: -36.599235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.599235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.599235 (E_RNA) where: Base-Base interactions energy: -13.941 where: short stacking energy: -13.941 Base-Backbone interact. energy: -0.647 local terms energy: -22.010822 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -4.583 flat angles P-C4'-P energy: -3.506 tors. eta vs tors. theta energy: -0.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 120 Temperature: 1.000000 Total energy: -33.466854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.466854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.466854 (E_RNA) where: Base-Base interactions energy: -12.248 where: short stacking energy: -12.248 Base-Backbone interact. energy: -0.010 local terms energy: -21.208968 where: bonds (distance) C4'-P energy: -4.169 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.452 flat angles P-C4'-P energy: -3.516 tors. eta vs tors. theta energy: -2.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 120 Temperature: 1.050000 Total energy: -35.333593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.333593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.333593 (E_RNA) where: Base-Base interactions energy: -14.436 where: short stacking energy: -14.436 Base-Backbone interact. energy: -0.004 local terms energy: -20.894130 where: bonds (distance) C4'-P energy: -4.471 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -4.307 flat angles P-C4'-P energy: -2.458 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: 5, replica: 4 ===================================== Write number: 120 Temperature: 1.100000 Total energy: -28.847839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.847839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.847839 (E_RNA) where: Base-Base interactions energy: -6.001 where: short stacking energy: -6.001 Base-Backbone interact. energy: -0.004 local terms energy: -22.842859 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -6.434 flat angles P-C4'-P energy: -5.438 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: 6, replica: 3 ===================================== Write number: 120 Temperature: 1.150000 Total energy: -35.967875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.967875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.967875 (E_RNA) where: Base-Base interactions energy: -12.633 where: short stacking energy: -12.633 Base-Backbone interact. energy: -0.001 local terms energy: -23.333622 where: bonds (distance) C4'-P energy: -5.021 bonds (distance) P-C4' energy: -5.537 flat angles C4'-P-C4' energy: -5.541 flat angles P-C4'-P energy: -2.523 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: 7, replica: 7 ===================================== Write number: 120 Temperature: 1.200000 Total energy: -31.326117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.326117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.326117 (E_RNA) where: Base-Base interactions energy: -7.186 where: short stacking energy: -7.186 Base-Backbone interact. energy: -0.000 local terms energy: -24.139927 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -6.572 flat angles P-C4'-P energy: -2.164 tors. eta vs tors. theta energy: -3.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 120 Temperature: 1.250000 Total energy: -33.537477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.537477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.537477 (E_RNA) where: Base-Base interactions energy: -11.421 where: short stacking energy: -11.421 Base-Backbone interact. energy: -0.019 local terms energy: -22.097178 where: bonds (distance) C4'-P energy: -5.179 bonds (distance) P-C4' energy: -3.711 flat angles C4'-P-C4' energy: -5.733 flat angles P-C4'-P energy: -4.739 tors. eta vs tors. theta energy: -2.735 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: 9, replica: 6 ===================================== Write number: 120 Temperature: 1.300000 Total energy: -34.180090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.180090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.180090 (E_RNA) where: Base-Base interactions energy: -11.690 where: short stacking energy: -11.690 Base-Backbone interact. energy: -0.000 local terms energy: -22.490197 where: bonds (distance) C4'-P energy: -3.565 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.633 flat angles P-C4'-P energy: -2.361 tors. eta vs tors. theta energy: -4.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 120 Temperature: 1.350000 Total energy: -30.810355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.810355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.810355 (E_RNA) where: Base-Base interactions energy: -8.401 where: short stacking energy: -8.401 Base-Backbone interact. energy: -0.037 local terms energy: -22.372187 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -5.767 flat angles C4'-P-C4' energy: -6.498 flat angles P-C4'-P energy: -4.077 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: 1, replica: 2 ===================================== Write number: 121 Temperature: 0.900000 Total energy: -39.658742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.658742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.658742 (E_RNA) where: Base-Base interactions energy: -12.065 where: short stacking energy: -12.065 Base-Backbone interact. energy: -0.001 local terms energy: -27.592195 where: bonds (distance) C4'-P energy: -4.624 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -6.082 flat angles P-C4'-P energy: -5.460 tors. eta vs tors. theta energy: -5.013 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: 121 Temperature: 0.950000 Total energy: -35.213525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.213525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.213525 (E_RNA) where: Base-Base interactions energy: -15.201 where: short stacking energy: -15.201 Base-Backbone interact. energy: -0.034 local terms energy: -19.978042 where: bonds (distance) C4'-P energy: -5.096 bonds (distance) P-C4' energy: -5.086 flat angles C4'-P-C4' energy: -4.653 flat angles P-C4'-P energy: -2.874 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: 3, replica: 5 ===================================== Write number: 121 Temperature: 1.000000 Total energy: -38.899850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.899850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.899850 (E_RNA) where: Base-Base interactions energy: -16.501 where: short stacking energy: -16.501 Base-Backbone interact. energy: -0.003 local terms energy: -22.395718 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -2.417 flat angles C4'-P-C4' energy: -5.168 flat angles P-C4'-P energy: -4.701 tors. eta vs tors. theta energy: -3.995 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: 4 ===================================== Write number: 121 Temperature: 1.050000 Total energy: -37.467203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.467203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.467203 (E_RNA) where: Base-Base interactions energy: -12.694 where: short stacking energy: -12.694 Base-Backbone interact. energy: -0.018 local terms energy: -24.755803 where: bonds (distance) C4'-P energy: -6.246 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -5.815 flat angles P-C4'-P energy: -4.529 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: 121 Temperature: 1.100000 Total energy: -34.908134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.908134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.908134 (E_RNA) where: Base-Base interactions energy: -9.806 where: short stacking energy: -9.806 Base-Backbone interact. energy: -0.001 local terms energy: -25.100841 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -5.143 flat angles C4'-P-C4' energy: -6.631 flat angles P-C4'-P energy: -4.371 tors. eta vs tors. theta energy: -3.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 121 Temperature: 1.150000 Total energy: -32.849774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.849774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.849774 (E_RNA) where: Base-Base interactions energy: -7.786 where: short stacking energy: -7.786 Base-Backbone interact. energy: -0.066 local terms energy: -24.997178 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -6.306 flat angles P-C4'-P energy: -4.239 tors. eta vs tors. theta energy: -2.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 121 Temperature: 1.200000 Total energy: -34.709357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.709357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.709357 (E_RNA) where: Base-Base interactions energy: -9.974 where: short stacking energy: -9.974 Base-Backbone interact. energy: -0.000 local terms energy: -24.735306 where: bonds (distance) C4'-P energy: -4.275 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -6.212 flat angles P-C4'-P energy: -3.876 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: 8, replica: 6 ===================================== Write number: 121 Temperature: 1.250000 Total energy: -31.525103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.525103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.525103 (E_RNA) where: Base-Base interactions energy: -7.310 where: short stacking energy: -7.310 Base-Backbone interact. energy: -0.002 local terms energy: -24.213031 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.677 flat angles P-C4'-P energy: -3.707 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: 9, replica: 8 ===================================== Write number: 121 Temperature: 1.300000 Total energy: -30.718545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.718545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.718545 (E_RNA) where: Base-Base interactions energy: -8.614 where: short stacking energy: -8.614 Base-Backbone interact. energy: -0.057 local terms energy: -22.047300 where: bonds (distance) C4'-P energy: -3.688 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -5.069 flat angles P-C4'-P energy: -3.683 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: 10, replica: 10 ===================================== Write number: 121 Temperature: 1.350000 Total energy: -30.139753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.139753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.139753 (E_RNA) where: Base-Base interactions energy: -10.520 where: short stacking energy: -10.520 Base-Backbone interact. energy: -0.000 local terms energy: -19.619523 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -3.048 flat angles C4'-P-C4' energy: -5.006 flat angles P-C4'-P energy: -4.695 tors. eta vs tors. theta energy: -0.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 122 Temperature: 0.900000 Total energy: -42.045014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.045014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.045014 (E_RNA) where: Base-Base interactions energy: -14.687 where: short stacking energy: -14.687 Base-Backbone interact. energy: -0.000 local terms energy: -27.357687 where: bonds (distance) C4'-P energy: -4.785 bonds (distance) P-C4' energy: -5.534 flat angles C4'-P-C4' energy: -6.034 flat angles P-C4'-P energy: -4.456 tors. eta vs tors. theta energy: -6.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 122 Temperature: 0.950000 Total energy: -40.458963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.458963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.458963 (E_RNA) where: Base-Base interactions energy: -15.951 where: short stacking energy: -15.951 Base-Backbone interact. energy: -0.000 local terms energy: -24.507712 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -6.361 flat angles P-C4'-P energy: -4.092 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: 3, replica: 4 ===================================== Write number: 122 Temperature: 1.000000 Total energy: -37.246507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.246507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.246507 (E_RNA) where: Base-Base interactions energy: -14.600 where: short stacking energy: -14.600 Base-Backbone interact. energy: -0.000 local terms energy: -22.646323 where: bonds (distance) C4'-P energy: -4.515 bonds (distance) P-C4' energy: -6.122 flat angles C4'-P-C4' energy: -3.600 flat angles P-C4'-P energy: -3.702 tors. eta vs tors. theta energy: -4.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 122 Temperature: 1.050000 Total energy: -35.837835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.837835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.837835 (E_RNA) where: Base-Base interactions energy: -14.280 where: short stacking energy: -14.280 Base-Backbone interact. energy: -0.011 local terms energy: -21.546189 where: bonds (distance) C4'-P energy: -5.075 bonds (distance) P-C4' energy: -6.132 flat angles C4'-P-C4' energy: -5.853 flat angles P-C4'-P energy: -4.272 tors. eta vs tors. theta energy: -0.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 122 Temperature: 1.100000 Total energy: -32.927754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.927754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.927754 (E_RNA) where: Base-Base interactions energy: -11.854 where: short stacking energy: -11.854 Base-Backbone interact. energy: -0.009 local terms energy: -21.065274 where: bonds (distance) C4'-P energy: -5.021 bonds (distance) P-C4' energy: -5.723 flat angles C4'-P-C4' energy: -3.645 flat angles P-C4'-P energy: -3.923 tors. eta vs tors. theta energy: -2.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 122 Temperature: 1.150000 Total energy: -32.600373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.600373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.600373 (E_RNA) where: Base-Base interactions energy: -11.783 where: short stacking energy: -11.783 Base-Backbone interact. energy: -0.001 local terms energy: -20.815854 where: bonds (distance) C4'-P energy: -5.241 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -3.643 flat angles P-C4'-P energy: -4.493 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: 7, replica: 6 ===================================== Write number: 122 Temperature: 1.200000 Total energy: -33.484029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.484029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.484029 (E_RNA) where: Base-Base interactions energy: -11.289 where: short stacking energy: -11.289 Base-Backbone interact. energy: -0.000 local terms energy: -22.194846 where: bonds (distance) C4'-P energy: -5.368 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -3.821 flat angles P-C4'-P energy: -3.393 tors. eta vs tors. theta energy: -3.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 122 Temperature: 1.250000 Total energy: -29.790339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.790339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.790339 (E_RNA) where: Base-Base interactions energy: -8.958 where: short stacking energy: -8.958 Base-Backbone interact. energy: -0.000 local terms energy: -20.832557 where: bonds (distance) C4'-P energy: -4.462 bonds (distance) P-C4' energy: -5.723 flat angles C4'-P-C4' energy: -4.230 flat angles P-C4'-P energy: -4.464 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: 9, replica: 10 ===================================== Write number: 122 Temperature: 1.300000 Total energy: -26.743792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.743792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.743792 (E_RNA) where: Base-Base interactions energy: -7.240 where: short stacking energy: -7.240 Base-Backbone interact. energy: -0.082 local terms energy: -19.422472 where: bonds (distance) C4'-P energy: -5.402 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -3.755 flat angles P-C4'-P energy: -3.657 tors. eta vs tors. theta energy: 0.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 122 Temperature: 1.350000 Total energy: -28.584352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.584352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.584352 (E_RNA) where: Base-Base interactions energy: -6.317 where: short stacking energy: -6.317 Base-Backbone interact. energy: -0.086 local terms energy: -22.181827 where: bonds (distance) C4'-P energy: -5.510 bonds (distance) P-C4' energy: -6.457 flat angles C4'-P-C4' energy: -5.552 flat angles P-C4'-P energy: -4.290 tors. eta vs tors. theta energy: -0.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 123 Temperature: 0.900000 Total energy: -38.197722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.197722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.197722 (E_RNA) where: Base-Base interactions energy: -14.477 where: short stacking energy: -14.477 Base-Backbone interact. energy: -0.001 local terms energy: -23.720583 where: bonds (distance) C4'-P energy: -5.597 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -6.115 flat angles P-C4'-P energy: -3.219 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: 2, replica: 4 ===================================== Write number: 123 Temperature: 0.950000 Total energy: -39.084478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.084478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.084478 (E_RNA) where: Base-Base interactions energy: -15.868 where: short stacking energy: -15.868 Base-Backbone interact. energy: -0.001 local terms energy: -23.215788 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -4.910 flat angles C4'-P-C4' energy: -5.655 flat angles P-C4'-P energy: -4.657 tors. eta vs tors. theta energy: -2.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 123 Temperature: 1.000000 Total energy: -39.045478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.045478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.045478 (E_RNA) where: Base-Base interactions energy: -14.382 where: short stacking energy: -14.382 Base-Backbone interact. energy: -0.107 local terms energy: -24.556277 where: bonds (distance) C4'-P energy: -5.509 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -5.230 flat angles P-C4'-P energy: -3.840 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: 4, replica: 7 ===================================== Write number: 123 Temperature: 1.050000 Total energy: -36.933573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.933573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.933573 (E_RNA) where: Base-Base interactions energy: -13.519 where: short stacking energy: -13.519 Base-Backbone interact. energy: -0.000 local terms energy: -23.414612 where: bonds (distance) C4'-P energy: -4.665 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -4.643 flat angles P-C4'-P energy: -2.110 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: 5, replica: 5 ===================================== Write number: 123 Temperature: 1.100000 Total energy: -33.125503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.125503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.125503 (E_RNA) where: Base-Base interactions energy: -9.292 where: short stacking energy: -9.292 Base-Backbone interact. energy: -0.041 local terms energy: -23.793099 where: bonds (distance) C4'-P energy: -5.348 bonds (distance) P-C4' energy: -6.382 flat angles C4'-P-C4' energy: -5.555 flat angles P-C4'-P energy: -4.468 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: 6, replica: 6 ===================================== Write number: 123 Temperature: 1.150000 Total energy: -34.764445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.764445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.764445 (E_RNA) where: Base-Base interactions energy: -10.026 where: short stacking energy: -10.026 Base-Backbone interact. energy: -0.002 local terms energy: -24.736955 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -5.306 flat angles P-C4'-P energy: -5.562 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: 7, replica: 1 ===================================== Write number: 123 Temperature: 1.200000 Total energy: -30.880511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.880511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.880511 (E_RNA) where: Base-Base interactions energy: -9.907 where: short stacking energy: -9.907 Base-Backbone interact. energy: -0.000 local terms energy: -20.973874 where: bonds (distance) C4'-P energy: -3.283 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.271 flat angles P-C4'-P energy: -4.168 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: 8, replica: 10 ===================================== Write number: 123 Temperature: 1.250000 Total energy: -30.183383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.183383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.183383 (E_RNA) where: Base-Base interactions energy: -8.201 where: short stacking energy: -8.201 Base-Backbone interact. energy: -0.051 local terms energy: -21.931829 where: bonds (distance) C4'-P energy: -3.555 bonds (distance) P-C4' energy: -5.600 flat angles C4'-P-C4' energy: -5.548 flat angles P-C4'-P energy: -4.931 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: 9, replica: 3 ===================================== Write number: 123 Temperature: 1.300000 Total energy: -33.557503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.557503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.557503 (E_RNA) where: Base-Base interactions energy: -10.410 where: short stacking energy: -10.410 Base-Backbone interact. energy: -0.019 local terms energy: -23.128265 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -5.220 flat angles P-C4'-P energy: -2.344 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: 10, replica: 8 ===================================== Write number: 123 Temperature: 1.350000 Total energy: -27.753042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.753042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.753042 (E_RNA) where: Base-Base interactions energy: -9.961 where: short stacking energy: -9.931 Base-Backbone interact. energy: -0.001 local terms energy: -17.790844 where: bonds (distance) C4'-P energy: -6.044 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -2.609 flat angles P-C4'-P energy: -4.040 tors. eta vs tors. theta energy: 1.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 124 Temperature: 0.900000 Total energy: -33.793716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.793716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.793716 (E_RNA) where: Base-Base interactions energy: -10.182 where: short stacking energy: -10.182 Base-Backbone interact. energy: -0.001 local terms energy: -23.610950 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -5.728 flat angles P-C4'-P energy: -3.392 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: 2, replica: 9 ===================================== Write number: 124 Temperature: 0.950000 Total energy: -37.566622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.566622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.566622 (E_RNA) where: Base-Base interactions energy: -13.591 where: short stacking energy: -13.591 Base-Backbone interact. energy: -0.005 local terms energy: -23.970623 where: bonds (distance) C4'-P energy: -4.719 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -5.126 flat angles P-C4'-P energy: -3.717 tors. eta vs tors. theta energy: -3.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 124 Temperature: 1.000000 Total energy: -31.292915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.292915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.292915 (E_RNA) where: Base-Base interactions energy: -8.177 where: short stacking energy: -8.177 Base-Backbone interact. energy: -0.019 local terms energy: -23.096551 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -5.513 flat angles P-C4'-P energy: -5.023 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: 4, replica: 7 ===================================== Write number: 124 Temperature: 1.050000 Total energy: -31.696652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.696652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.696652 (E_RNA) where: Base-Base interactions energy: -7.702 where: short stacking energy: -7.702 Base-Backbone interact. energy: -1.368 local terms energy: -22.626761 where: bonds (distance) C4'-P energy: -5.261 bonds (distance) P-C4' energy: -6.174 flat angles C4'-P-C4' energy: -5.456 flat angles P-C4'-P energy: -4.107 tors. eta vs tors. theta energy: -1.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 124 Temperature: 1.100000 Total energy: -39.257112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.257112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.257112 (E_RNA) where: Base-Base interactions energy: -14.213 where: short stacking energy: -14.213 Base-Backbone interact. energy: -0.000 local terms energy: -25.043570 where: bonds (distance) C4'-P energy: -5.882 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -3.681 flat angles P-C4'-P energy: -4.457 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: 6, replica: 5 ===================================== Write number: 124 Temperature: 1.150000 Total energy: -34.070727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.070727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.070727 (E_RNA) where: Base-Base interactions energy: -10.639 where: short stacking energy: -11.201 Base-Backbone interact. energy: -0.060 local terms energy: -23.372061 where: bonds (distance) C4'-P energy: -4.090 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -4.764 flat angles P-C4'-P energy: -4.612 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: 7, replica: 10 ===================================== Write number: 124 Temperature: 1.200000 Total energy: -35.148253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.148253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.148253 (E_RNA) where: Base-Base interactions energy: -10.185 where: short stacking energy: -10.185 Base-Backbone interact. energy: -0.048 local terms energy: -24.915023 where: bonds (distance) C4'-P energy: -6.139 bonds (distance) P-C4' energy: -5.723 flat angles C4'-P-C4' energy: -6.517 flat angles P-C4'-P energy: -4.654 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: 1 ===================================== Write number: 124 Temperature: 1.250000 Total energy: -32.137783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.137783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.137783 (E_RNA) where: Base-Base interactions energy: -11.164 where: short stacking energy: -11.164 Base-Backbone interact. energy: -0.000 local terms energy: -20.973309 where: bonds (distance) C4'-P energy: -4.988 bonds (distance) P-C4' energy: -5.442 flat angles C4'-P-C4' energy: -3.569 flat angles P-C4'-P energy: -2.336 tors. eta vs tors. theta energy: -4.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 124 Temperature: 1.300000 Total energy: -31.128426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.128426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.128426 (E_RNA) where: Base-Base interactions energy: -12.744 where: short stacking energy: -12.744 Base-Backbone interact. energy: -0.001 local terms energy: -18.383890 where: bonds (distance) C4'-P energy: -2.606 bonds (distance) P-C4' energy: -3.575 flat angles C4'-P-C4' energy: -5.631 flat angles P-C4'-P energy: -4.840 tors. eta vs tors. theta energy: -1.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 124 Temperature: 1.350000 Total energy: -34.144306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.144306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.144306 (E_RNA) where: Base-Base interactions energy: -11.838 where: short stacking energy: -11.838 Base-Backbone interact. energy: -0.036 local terms energy: -22.270250 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -4.144 flat angles C4'-P-C4' energy: -6.509 flat angles P-C4'-P energy: -4.623 tors. eta vs tors. theta energy: -1.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 125 Temperature: 0.900000 Total energy: -39.719841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.719841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.719841 (E_RNA) where: Base-Base interactions energy: -12.255 where: short stacking energy: -12.255 Base-Backbone interact. energy: -0.000 local terms energy: -27.464927 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -5.260 flat angles P-C4'-P energy: -4.991 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: 2, replica: 2 ===================================== Write number: 125 Temperature: 0.950000 Total energy: -37.436068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.436068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.436068 (E_RNA) where: Base-Base interactions energy: -11.184 where: short stacking energy: -11.184 Base-Backbone interact. energy: -0.014 local terms energy: -26.238329 where: bonds (distance) C4'-P energy: -5.766 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -6.140 flat angles P-C4'-P energy: -4.824 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: 3, replica: 9 ===================================== Write number: 125 Temperature: 1.000000 Total energy: -35.854349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.854349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.854349 (E_RNA) where: Base-Base interactions energy: -14.311 where: short stacking energy: -14.311 Base-Backbone interact. energy: -0.000 local terms energy: -21.542939 where: bonds (distance) C4'-P energy: -3.725 bonds (distance) P-C4' energy: -5.181 flat angles C4'-P-C4' energy: -5.029 flat angles P-C4'-P energy: -5.096 tors. eta vs tors. theta energy: -2.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 125 Temperature: 1.050000 Total energy: -35.912706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.912706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.912706 (E_RNA) where: Base-Base interactions energy: -11.114 where: short stacking energy: -11.114 Base-Backbone interact. energy: -0.002 local terms energy: -24.796411 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -4.914 flat angles C4'-P-C4' energy: -4.903 flat angles P-C4'-P energy: -5.048 tors. eta vs tors. theta energy: -3.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 125 Temperature: 1.100000 Total energy: -33.088368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.088368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.088368 (E_RNA) where: Base-Base interactions energy: -9.627 where: short stacking energy: -9.627 Base-Backbone interact. energy: -0.008 local terms energy: -23.453290 where: bonds (distance) C4'-P energy: -4.967 bonds (distance) P-C4' energy: -5.837 flat angles C4'-P-C4' energy: -4.969 flat angles P-C4'-P energy: -5.457 tors. eta vs tors. theta energy: -2.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 125 Temperature: 1.150000 Total energy: -30.723712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.723712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.723712 (E_RNA) where: Base-Base interactions energy: -10.977 where: short stacking energy: -10.977 Base-Backbone interact. energy: -0.000 local terms energy: -19.747024 where: bonds (distance) C4'-P energy: -4.975 bonds (distance) P-C4' energy: -5.444 flat angles C4'-P-C4' energy: -3.896 flat angles P-C4'-P energy: -4.105 tors. eta vs tors. theta energy: -1.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 125 Temperature: 1.200000 Total energy: -32.681053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.681053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.681053 (E_RNA) where: Base-Base interactions energy: -9.359 where: short stacking energy: -9.359 Base-Backbone interact. energy: -0.094 local terms energy: -23.227633 where: bonds (distance) C4'-P energy: -5.091 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -3.729 flat angles P-C4'-P energy: -5.182 tors. eta vs tors. theta energy: -3.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 125 Temperature: 1.250000 Total energy: -31.736370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.736370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.736370 (E_RNA) where: Base-Base interactions energy: -8.286 where: short stacking energy: -8.286 Base-Backbone interact. energy: -0.075 local terms energy: -23.376003 where: bonds (distance) C4'-P energy: -3.680 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.404 flat angles P-C4'-P energy: -4.212 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: 1 ===================================== Write number: 125 Temperature: 1.300000 Total energy: -32.823023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.823023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.823023 (E_RNA) where: Base-Base interactions energy: -9.660 where: short stacking energy: -9.660 Base-Backbone interact. energy: -0.001 local terms energy: -23.162013 where: bonds (distance) C4'-P energy: -4.380 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -5.406 flat angles P-C4'-P energy: -4.349 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: 10, replica: 3 ===================================== Write number: 125 Temperature: 1.350000 Total energy: -27.665700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.665700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.665700 (E_RNA) where: Base-Base interactions energy: -13.650 where: short stacking energy: -13.650 Base-Backbone interact. energy: -0.001 local terms energy: -14.014409 where: bonds (distance) C4'-P energy: -5.866 bonds (distance) P-C4' energy: -2.315 flat angles C4'-P-C4' energy: -4.976 flat angles P-C4'-P energy: 0.738 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: 1, replica: 4 ===================================== Write number: 126 Temperature: 0.900000 Total energy: -41.023591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.023591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.023591 (E_RNA) where: Base-Base interactions energy: -18.303 where: short stacking energy: -18.303 Base-Backbone interact. energy: -0.005 local terms energy: -22.715700 where: bonds (distance) C4'-P energy: -5.091 bonds (distance) P-C4' energy: -4.681 flat angles C4'-P-C4' energy: -6.631 flat angles P-C4'-P energy: -4.495 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: 2, replica: 2 ===================================== Write number: 126 Temperature: 0.950000 Total energy: -38.784909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.784909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.784909 (E_RNA) where: Base-Base interactions energy: -13.502 where: short stacking energy: -13.502 Base-Backbone interact. energy: -0.000 local terms energy: -25.283250 where: bonds (distance) C4'-P energy: -5.099 bonds (distance) P-C4' energy: -6.174 flat angles C4'-P-C4' energy: -6.175 flat angles P-C4'-P energy: -3.712 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: 3, replica: 9 ===================================== Write number: 126 Temperature: 1.000000 Total energy: -38.375994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.375994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.375994 (E_RNA) where: Base-Base interactions energy: -15.431 where: short stacking energy: -15.431 Base-Backbone interact. energy: -0.000 local terms energy: -22.944471 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -5.758 flat angles C4'-P-C4' energy: -6.019 flat angles P-C4'-P energy: -2.943 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: 4, replica: 6 ===================================== Write number: 126 Temperature: 1.050000 Total energy: -36.205436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.205436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.205436 (E_RNA) where: Base-Base interactions energy: -13.998 where: short stacking energy: -13.998 Base-Backbone interact. energy: -0.032 local terms energy: -22.175722 where: bonds (distance) C4'-P energy: -3.804 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -4.529 flat angles P-C4'-P energy: -4.373 tors. eta vs tors. theta energy: -2.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 126 Temperature: 1.100000 Total energy: -30.834143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.834143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.834143 (E_RNA) where: Base-Base interactions energy: -11.206 where: short stacking energy: -11.206 Base-Backbone interact. energy: -0.000 local terms energy: -19.628597 where: bonds (distance) C4'-P energy: -4.951 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -3.961 flat angles P-C4'-P energy: -2.881 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: 6, replica: 7 ===================================== Write number: 126 Temperature: 1.150000 Total energy: -35.984838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.984838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.984838 (E_RNA) where: Base-Base interactions energy: -12.190 where: short stacking energy: -11.751 Base-Backbone interact. energy: 0.143 local terms energy: -23.938324 where: bonds (distance) C4'-P energy: -5.998 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -3.393 flat angles P-C4'-P energy: -4.333 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: 7, replica: 8 ===================================== Write number: 126 Temperature: 1.200000 Total energy: -31.634059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.634059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.634059 (E_RNA) where: Base-Base interactions energy: -11.415 where: short stacking energy: -11.415 Base-Backbone interact. energy: -0.000 local terms energy: -20.219401 where: bonds (distance) C4'-P energy: -4.346 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.103 flat angles P-C4'-P energy: -1.236 tors. eta vs tors. theta energy: -2.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 126 Temperature: 1.250000 Total energy: -29.180172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.180172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.180172 (E_RNA) where: Base-Base interactions energy: -9.500 where: short stacking energy: -9.500 Base-Backbone interact. energy: 0.056 local terms energy: -19.736239 where: bonds (distance) C4'-P energy: -5.104 bonds (distance) P-C4' energy: -4.656 flat angles C4'-P-C4' energy: -2.504 flat angles P-C4'-P energy: -4.315 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: 9, replica: 3 ===================================== Write number: 126 Temperature: 1.300000 Total energy: -30.037317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.037317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.037317 (E_RNA) where: Base-Base interactions energy: -10.116 where: short stacking energy: -10.116 Base-Backbone interact. energy: -0.002 local terms energy: -19.919165 where: bonds (distance) C4'-P energy: -5.882 bonds (distance) P-C4' energy: -5.080 flat angles C4'-P-C4' energy: -4.507 flat angles P-C4'-P energy: -3.661 tors. eta vs tors. theta energy: -0.790 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: 1 ===================================== Write number: 126 Temperature: 1.350000 Total energy: -34.798618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.798618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.798618 (E_RNA) where: Base-Base interactions energy: -15.109 where: short stacking energy: -15.109 Base-Backbone interact. energy: -0.001 local terms energy: -19.687961 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -2.895 flat angles C4'-P-C4' energy: -3.598 flat angles P-C4'-P energy: -3.101 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: 1, replica: 4 ===================================== Write number: 127 Temperature: 0.900000 Total energy: -36.148350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.148350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.148350 (E_RNA) where: Base-Base interactions energy: -12.629 where: short stacking energy: -12.629 Base-Backbone interact. energy: -0.000 local terms energy: -23.518867 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -6.027 flat angles P-C4'-P energy: -2.125 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: 2, replica: 2 ===================================== Write number: 127 Temperature: 0.950000 Total energy: -40.540207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.540207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.540207 (E_RNA) where: Base-Base interactions energy: -14.432 where: short stacking energy: -14.432 Base-Backbone interact. energy: -0.001 local terms energy: -26.107268 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -4.168 flat angles C4'-P-C4' energy: -5.706 flat angles P-C4'-P energy: -4.930 tors. eta vs tors. theta energy: -5.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 127 Temperature: 1.000000 Total energy: -37.241135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.241135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.241135 (E_RNA) where: Base-Base interactions energy: -13.239 where: short stacking energy: -13.239 Base-Backbone interact. energy: -0.000 local terms energy: -24.001923 where: bonds (distance) C4'-P energy: -5.021 bonds (distance) P-C4' energy: -6.156 flat angles C4'-P-C4' energy: -6.372 flat angles P-C4'-P energy: -4.242 tors. eta vs tors. theta energy: -2.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 127 Temperature: 1.050000 Total energy: -39.458917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.458917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.458917 (E_RNA) where: Base-Base interactions energy: -13.670 where: short stacking energy: -13.670 Base-Backbone interact. energy: -0.031 local terms energy: -25.757844 where: bonds (distance) C4'-P energy: -4.037 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -5.920 flat angles P-C4'-P energy: -5.143 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: 5, replica: 6 ===================================== Write number: 127 Temperature: 1.100000 Total energy: -26.865052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.865052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.865052 (E_RNA) where: Base-Base interactions energy: -4.595 where: short stacking energy: -4.595 Base-Backbone interact. energy: -0.104 local terms energy: -22.166330 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -6.873 flat angles C4'-P-C4' energy: -5.597 flat angles P-C4'-P energy: -4.992 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: 6, replica: 8 ===================================== Write number: 127 Temperature: 1.150000 Total energy: -34.285883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.285883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.285883 (E_RNA) where: Base-Base interactions energy: -13.384 where: short stacking energy: -13.384 Base-Backbone interact. energy: -0.000 local terms energy: -20.901574 where: bonds (distance) C4'-P energy: -3.887 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -5.960 flat angles P-C4'-P energy: -2.356 tors. eta vs tors. theta energy: -2.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 127 Temperature: 1.200000 Total energy: -29.864374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.864374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.864374 (E_RNA) where: Base-Base interactions energy: -8.127 where: short stacking energy: -8.127 Base-Backbone interact. energy: -0.125 local terms energy: -21.612757 where: bonds (distance) C4'-P energy: -6.354 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -1.897 flat angles P-C4'-P energy: -3.567 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: 3 ===================================== Write number: 127 Temperature: 1.250000 Total energy: -33.867515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.867515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.867515 (E_RNA) where: Base-Base interactions energy: -9.681 where: short stacking energy: -9.681 Base-Backbone interact. energy: -0.000 local terms energy: -24.186539 where: bonds (distance) C4'-P energy: -5.473 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -5.674 flat angles P-C4'-P energy: -2.491 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: 9, replica: 5 ===================================== Write number: 127 Temperature: 1.300000 Total energy: -35.746065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.746065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.746065 (E_RNA) where: Base-Base interactions energy: -13.340 where: short stacking energy: -13.340 Base-Backbone interact. energy: -0.020 local terms energy: -22.385955 where: bonds (distance) C4'-P energy: -4.983 bonds (distance) P-C4' energy: -4.988 flat angles C4'-P-C4' energy: -5.516 flat angles P-C4'-P energy: -3.577 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: 10, replica: 1 ===================================== Write number: 127 Temperature: 1.350000 Total energy: -27.822573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.822573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.822573 (E_RNA) where: Base-Base interactions energy: -10.993 where: short stacking energy: -10.993 Base-Backbone interact. energy: -0.054 local terms energy: -16.775918 where: bonds (distance) C4'-P energy: -4.872 bonds (distance) P-C4' energy: -5.143 flat angles C4'-P-C4' energy: -5.090 flat angles P-C4'-P energy: -2.856 tors. eta vs tors. theta energy: 1.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 128 Temperature: 0.900000 Total energy: -38.923551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.923551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.923551 (E_RNA) where: Base-Base interactions energy: -14.191 where: short stacking energy: -14.191 Base-Backbone interact. energy: -0.039 local terms energy: -24.693789 where: bonds (distance) C4'-P energy: -5.501 bonds (distance) P-C4' energy: -4.616 flat angles C4'-P-C4' energy: -6.362 flat angles P-C4'-P energy: -5.301 tors. eta vs tors. theta energy: -2.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 128 Temperature: 0.950000 Total energy: -40.810123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.810123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.810123 (E_RNA) where: Base-Base interactions energy: -17.209 where: short stacking energy: -17.209 Base-Backbone interact. energy: 0.303 local terms energy: -23.904213 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -6.873 flat angles C4'-P-C4' energy: -4.845 flat angles P-C4'-P energy: -3.371 tors. eta vs tors. theta energy: -3.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 128 Temperature: 1.000000 Total energy: -39.709992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.709992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.709992 (E_RNA) where: Base-Base interactions energy: -13.799 where: short stacking energy: -13.799 Base-Backbone interact. energy: -0.000 local terms energy: -25.911292 where: bonds (distance) C4'-P energy: -3.562 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -5.799 flat angles P-C4'-P energy: -4.807 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: 4, replica: 10 ===================================== Write number: 128 Temperature: 1.050000 Total energy: -34.122743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.122743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.122743 (E_RNA) where: Base-Base interactions energy: -13.580 where: short stacking energy: -13.580 Base-Backbone interact. energy: -0.000 local terms energy: -20.541987 where: bonds (distance) C4'-P energy: -4.259 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -3.386 flat angles P-C4'-P energy: -3.182 tors. eta vs tors. theta energy: -3.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 128 Temperature: 1.100000 Total energy: -32.816683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.816683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.816683 (E_RNA) where: Base-Base interactions energy: -11.364 where: short stacking energy: -11.364 Base-Backbone interact. energy: -0.003 local terms energy: -21.450098 where: bonds (distance) C4'-P energy: -5.998 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -3.057 flat angles P-C4'-P energy: -3.161 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: 6 ===================================== Write number: 128 Temperature: 1.150000 Total energy: -29.788308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.788308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.788308 (E_RNA) where: Base-Base interactions energy: -7.922 where: short stacking energy: -7.922 Base-Backbone interact. energy: -0.063 local terms energy: -21.803755 where: bonds (distance) C4'-P energy: -3.427 bonds (distance) P-C4' energy: -6.442 flat angles C4'-P-C4' energy: -6.596 flat angles P-C4'-P energy: -4.629 tors. eta vs tors. theta energy: -0.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 128 Temperature: 1.200000 Total energy: -30.279060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.279060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.279060 (E_RNA) where: Base-Base interactions energy: -7.509 where: short stacking energy: -7.509 Base-Backbone interact. energy: -0.000 local terms energy: -22.770016 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -5.926 flat angles P-C4'-P energy: -2.661 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: 7 ===================================== Write number: 128 Temperature: 1.250000 Total energy: -30.268416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.268416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.268416 (E_RNA) where: Base-Base interactions energy: -9.685 where: short stacking energy: -9.685 Base-Backbone interact. energy: -0.097 local terms energy: -20.487004 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -3.213 flat angles P-C4'-P energy: -3.520 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: 9, replica: 1 ===================================== Write number: 128 Temperature: 1.300000 Total energy: -27.713070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.713070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.713070 (E_RNA) where: Base-Base interactions energy: -7.571 where: short stacking energy: -7.571 Base-Backbone interact. energy: -0.031 local terms energy: -20.110813 where: bonds (distance) C4'-P energy: -6.023 bonds (distance) P-C4' energy: -4.905 flat angles C4'-P-C4' energy: -6.224 flat angles P-C4'-P energy: -3.004 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: 10, replica: 5 ===================================== Write number: 128 Temperature: 1.350000 Total energy: -28.768475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.768475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.768475 (E_RNA) where: Base-Base interactions energy: -9.172 where: short stacking energy: -9.172 Base-Backbone interact. energy: -0.042 local terms energy: -19.554371 where: bonds (distance) C4'-P energy: -5.286 bonds (distance) P-C4' energy: -5.534 flat angles C4'-P-C4' energy: -6.366 flat angles P-C4'-P energy: -2.120 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: 1, replica: 2 ===================================== Write number: 129 Temperature: 0.900000 Total energy: -38.387056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.387056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.387056 (E_RNA) where: Base-Base interactions energy: -15.198 where: short stacking energy: -15.198 Base-Backbone interact. energy: -0.001 local terms energy: -23.188058 where: bonds (distance) C4'-P energy: -5.091 bonds (distance) P-C4' energy: -5.705 flat angles C4'-P-C4' energy: -5.167 flat angles P-C4'-P energy: -4.504 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: 2, replica: 9 ===================================== Write number: 129 Temperature: 0.950000 Total energy: -33.501570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.501570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.501570 (E_RNA) where: Base-Base interactions energy: -8.448 where: short stacking energy: -8.448 Base-Backbone interact. energy: -0.760 local terms energy: -24.294324 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -6.766 flat angles P-C4'-P energy: -4.431 tors. eta vs tors. theta energy: -0.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 129 Temperature: 1.000000 Total energy: -36.239393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.239393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.239393 (E_RNA) where: Base-Base interactions energy: -13.010 where: short stacking energy: -13.010 Base-Backbone interact. energy: -0.001 local terms energy: -23.227823 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -4.796 flat angles P-C4'-P energy: -3.954 tors. eta vs tors. theta energy: -2.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 129 Temperature: 1.050000 Total energy: -34.073519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.073519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.073519 (E_RNA) where: Base-Base interactions energy: -11.719 where: short stacking energy: -11.719 Base-Backbone interact. energy: -0.000 local terms energy: -22.354911 where: bonds (distance) C4'-P energy: -5.411 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.695 flat angles P-C4'-P energy: -3.649 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: 10 ===================================== Write number: 129 Temperature: 1.100000 Total energy: -35.133458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.133458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.133458 (E_RNA) where: Base-Base interactions energy: -13.663 where: short stacking energy: -13.663 Base-Backbone interact. energy: -0.100 local terms energy: -21.370564 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -3.319 flat angles P-C4'-P energy: -2.617 tors. eta vs tors. theta energy: -2.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 129 Temperature: 1.150000 Total energy: -40.803509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.803509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.803509 (E_RNA) where: Base-Base interactions energy: -11.972 where: short stacking energy: -11.972 Base-Backbone interact. energy: -0.000 local terms energy: -28.831816 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.873 flat angles C4'-P-C4' energy: -4.025 flat angles P-C4'-P energy: -5.195 tors. eta vs tors. theta energy: -6.920 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: 6 ===================================== Write number: 129 Temperature: 1.200000 Total energy: -33.996277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.996277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.996277 (E_RNA) where: Base-Base interactions energy: -13.357 where: short stacking energy: -13.357 Base-Backbone interact. energy: -0.001 local terms energy: -20.637850 where: bonds (distance) C4'-P energy: -4.251 bonds (distance) P-C4' energy: -5.889 flat angles C4'-P-C4' energy: -5.006 flat angles P-C4'-P energy: -4.390 tors. eta vs tors. theta energy: -1.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 129 Temperature: 1.250000 Total energy: -28.680774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.680774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.680774 (E_RNA) where: Base-Base interactions energy: -6.829 where: short stacking energy: -6.829 Base-Backbone interact. energy: -0.000 local terms energy: -21.851304 where: bonds (distance) C4'-P energy: -5.348 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -5.183 flat angles P-C4'-P energy: -4.851 tors. eta vs tors. theta energy: -1.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 129 Temperature: 1.300000 Total energy: -26.133687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.133687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.133687 (E_RNA) where: Base-Base interactions energy: -9.393 where: short stacking energy: -9.393 Base-Backbone interact. energy: -0.022 local terms energy: -16.718428 where: bonds (distance) C4'-P energy: -2.826 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -2.867 flat angles P-C4'-P energy: -4.223 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: 5 ===================================== Write number: 129 Temperature: 1.350000 Total energy: -29.697332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.697332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.697332 (E_RNA) where: Base-Base interactions energy: -8.766 where: short stacking energy: -8.766 Base-Backbone interact. energy: -0.007 local terms energy: -20.923838 where: bonds (distance) C4'-P energy: -5.696 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -5.207 flat angles P-C4'-P energy: -3.418 tors. eta vs tors. theta energy: -0.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 130 Temperature: 0.900000 Total energy: -44.276406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.276406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.276406 (E_RNA) where: Base-Base interactions energy: -18.185 where: short stacking energy: -18.185 Base-Backbone interact. energy: -0.000 local terms energy: -26.091601 where: bonds (distance) C4'-P energy: -5.075 bonds (distance) P-C4' energy: -5.668 flat angles C4'-P-C4' energy: -5.963 flat angles P-C4'-P energy: -4.708 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: 2, replica: 2 ===================================== Write number: 130 Temperature: 0.950000 Total energy: -40.456926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.456926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.456926 (E_RNA) where: Base-Base interactions energy: -17.181 where: short stacking energy: -17.181 Base-Backbone interact. energy: -0.063 local terms energy: -23.212509 where: bonds (distance) C4'-P energy: -5.729 bonds (distance) P-C4' energy: -5.830 flat angles C4'-P-C4' energy: -4.361 flat angles P-C4'-P energy: -4.071 tors. eta vs tors. theta energy: -3.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 130 Temperature: 1.000000 Total energy: -40.346063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.346063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.346063 (E_RNA) where: Base-Base interactions energy: -15.113 where: short stacking energy: -15.113 Base-Backbone interact. energy: -0.000 local terms energy: -25.233232 where: bonds (distance) C4'-P energy: -5.535 bonds (distance) P-C4' energy: -6.181 flat angles C4'-P-C4' energy: -5.967 flat angles P-C4'-P energy: -2.266 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: 4, replica: 4 ===================================== Write number: 130 Temperature: 1.050000 Total energy: -34.118810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.118810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.118810 (E_RNA) where: Base-Base interactions energy: -9.143 where: short stacking energy: -9.143 Base-Backbone interact. energy: -0.000 local terms energy: -24.975499 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -5.817 flat angles P-C4'-P energy: -4.694 tors. eta vs tors. theta energy: -2.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 130 Temperature: 1.100000 Total energy: -34.463010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.463010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.463010 (E_RNA) where: Base-Base interactions energy: -12.695 where: short stacking energy: -12.695 Base-Backbone interact. energy: -0.001 local terms energy: -21.766632 where: bonds (distance) C4'-P energy: -5.004 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.236 flat angles P-C4'-P energy: -4.143 tors. eta vs tors. theta energy: -0.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 130 Temperature: 1.150000 Total energy: -31.545921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.545921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.545921 (E_RNA) where: Base-Base interactions energy: -9.386 where: short stacking energy: -9.831 Base-Backbone interact. energy: -1.569 local terms energy: -20.591611 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.622 flat angles C4'-P-C4' energy: -4.896 flat angles P-C4'-P energy: -3.086 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: 7, replica: 1 ===================================== Write number: 130 Temperature: 1.200000 Total energy: -33.376531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.376531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.376531 (E_RNA) where: Base-Base interactions energy: -11.199 where: short stacking energy: -11.199 Base-Backbone interact. energy: -0.001 local terms energy: -22.176555 where: bonds (distance) C4'-P energy: -4.967 bonds (distance) P-C4' energy: -6.358 flat angles C4'-P-C4' energy: -4.546 flat angles P-C4'-P energy: -5.211 tors. eta vs tors. theta energy: -1.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 130 Temperature: 1.250000 Total energy: -34.836053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.836053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.836053 (E_RNA) where: Base-Base interactions energy: -11.551 where: short stacking energy: -11.551 Base-Backbone interact. energy: -0.000 local terms energy: -23.284944 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -5.833 flat angles C4'-P-C4' energy: -4.666 flat angles P-C4'-P energy: -3.689 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: 9, replica: 5 ===================================== Write number: 130 Temperature: 1.300000 Total energy: -29.637947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.637947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.637947 (E_RNA) where: Base-Base interactions energy: -7.614 where: short stacking energy: -7.714 Base-Backbone interact. energy: -0.004 local terms energy: -22.020853 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -5.345 flat angles P-C4'-P energy: -2.659 tors. eta vs tors. theta energy: -2.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 130 Temperature: 1.350000 Total energy: -30.427998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.427998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.427998 (E_RNA) where: Base-Base interactions energy: -12.208 where: short stacking energy: -12.208 Base-Backbone interact. energy: -0.016 local terms energy: -18.203629 where: bonds (distance) C4'-P energy: -4.880 bonds (distance) P-C4' energy: -4.387 flat angles C4'-P-C4' energy: -4.865 flat angles P-C4'-P energy: -2.345 tors. eta vs tors. theta energy: -1.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 131 Temperature: 0.900000 Total energy: -43.413062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.413062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.413062 (E_RNA) where: Base-Base interactions energy: -14.392 where: short stacking energy: -14.392 Base-Backbone interact. energy: -0.000 local terms energy: -29.021311 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -5.165 flat angles P-C4'-P energy: -5.015 tors. eta vs tors. theta energy: -6.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 131 Temperature: 0.950000 Total energy: -37.614135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.614135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.614135 (E_RNA) where: Base-Base interactions energy: -15.163 where: short stacking energy: -15.163 Base-Backbone interact. energy: -0.006 local terms energy: -22.445144 where: bonds (distance) C4'-P energy: -5.411 bonds (distance) P-C4' energy: -5.830 flat angles C4'-P-C4' energy: -6.185 flat angles P-C4'-P energy: -0.583 tors. eta vs tors. theta energy: -4.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 131 Temperature: 1.000000 Total energy: -35.281689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.281689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.281689 (E_RNA) where: Base-Base interactions energy: -13.650 where: short stacking energy: -13.650 Base-Backbone interact. energy: -0.004 local terms energy: -21.628234 where: bonds (distance) C4'-P energy: -4.213 bonds (distance) P-C4' energy: -4.751 flat angles C4'-P-C4' energy: -6.433 flat angles P-C4'-P energy: -4.141 tors. eta vs tors. theta energy: -2.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 131 Temperature: 1.050000 Total energy: -36.526100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.526100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.526100 (E_RNA) where: Base-Base interactions energy: -12.589 where: short stacking energy: -12.589 Base-Backbone interact. energy: -0.000 local terms energy: -23.936437 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -6.064 flat angles P-C4'-P energy: -4.524 tors. eta vs tors. theta energy: -0.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 131 Temperature: 1.100000 Total energy: -34.566704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.566704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.566704 (E_RNA) where: Base-Base interactions energy: -13.493 where: short stacking energy: -13.493 Base-Backbone interact. energy: -0.023 local terms energy: -21.050387 where: bonds (distance) C4'-P energy: -4.126 bonds (distance) P-C4' energy: -3.032 flat angles C4'-P-C4' energy: -6.009 flat angles P-C4'-P energy: -4.991 tors. eta vs tors. theta energy: -2.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 131 Temperature: 1.150000 Total energy: -33.666102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.666102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.666102 (E_RNA) where: Base-Base interactions energy: -12.552 where: short stacking energy: -12.552 Base-Backbone interact. energy: -0.085 local terms energy: -21.028867 where: bonds (distance) C4'-P energy: -6.160 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -4.260 flat angles P-C4'-P energy: -3.802 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: 7, replica: 10 ===================================== Write number: 131 Temperature: 1.200000 Total energy: -34.106239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.106239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.106239 (E_RNA) where: Base-Base interactions energy: -9.140 where: short stacking energy: -9.140 Base-Backbone interact. energy: -0.000 local terms energy: -24.966273 where: bonds (distance) C4'-P energy: -4.578 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -6.190 flat angles P-C4'-P energy: -4.144 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: 8, replica: 5 ===================================== Write number: 131 Temperature: 1.250000 Total energy: -29.525763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.525763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.525763 (E_RNA) where: Base-Base interactions energy: -9.938 where: short stacking energy: -9.942 Base-Backbone interact. energy: -0.100 local terms energy: -19.487596 where: bonds (distance) C4'-P energy: -4.872 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -5.597 flat angles P-C4'-P energy: -1.155 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: 9, replica: 6 ===================================== Write number: 131 Temperature: 1.300000 Total energy: -27.873865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.873865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.873865 (E_RNA) where: Base-Base interactions energy: -9.280 where: short stacking energy: -9.280 Base-Backbone interact. energy: -0.073 local terms energy: -18.520572 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -6.678 flat angles C4'-P-C4' energy: -2.366 flat angles P-C4'-P energy: -3.315 tors. eta vs tors. theta energy: -0.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 131 Temperature: 1.350000 Total energy: -38.963831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.963831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.963831 (E_RNA) where: Base-Base interactions energy: -15.982 where: short stacking energy: -15.982 Base-Backbone interact. energy: -0.001 local terms energy: -22.981407 where: bonds (distance) C4'-P energy: -3.212 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -4.581 flat angles P-C4'-P energy: -2.619 tors. eta vs tors. theta energy: -6.352 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: 2 ===================================== Write number: 132 Temperature: 0.900000 Total energy: -40.647054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.647054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.647054 (E_RNA) where: Base-Base interactions energy: -17.023 where: short stacking energy: -17.023 Base-Backbone interact. energy: -0.069 local terms energy: -23.555149 where: bonds (distance) C4'-P energy: -3.882 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -5.283 flat angles P-C4'-P energy: -4.525 tors. eta vs tors. theta energy: -3.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 132 Temperature: 0.950000 Total energy: -42.731461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.731461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.731461 (E_RNA) where: Base-Base interactions energy: -17.422 where: short stacking energy: -17.422 Base-Backbone interact. energy: -0.016 local terms energy: -25.294017 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -5.903 flat angles P-C4'-P energy: -3.804 tors. eta vs tors. theta energy: -2.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 132 Temperature: 1.000000 Total energy: -41.585342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.585342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.585342 (E_RNA) where: Base-Base interactions energy: -16.526 where: short stacking energy: -16.526 Base-Backbone interact. energy: -0.000 local terms energy: -25.059613 where: bonds (distance) C4'-P energy: -5.837 bonds (distance) P-C4' energy: -6.104 flat angles C4'-P-C4' energy: -4.595 flat angles P-C4'-P energy: -3.902 tors. eta vs tors. theta energy: -4.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 132 Temperature: 1.050000 Total energy: -39.125368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.125368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.125368 (E_RNA) where: Base-Base interactions energy: -14.617 where: short stacking energy: -14.617 Base-Backbone interact. energy: -0.001 local terms energy: -24.506805 where: bonds (distance) C4'-P energy: -3.990 bonds (distance) P-C4' energy: -6.174 flat angles C4'-P-C4' energy: -5.994 flat angles P-C4'-P energy: -4.189 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: 5, replica: 1 ===================================== Write number: 132 Temperature: 1.100000 Total energy: -36.132537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.132537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.132537 (E_RNA) where: Base-Base interactions energy: -12.470 where: short stacking energy: -12.470 Base-Backbone interact. energy: -0.008 local terms energy: -23.654333 where: bonds (distance) C4'-P energy: -5.261 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -6.148 flat angles P-C4'-P energy: -3.365 tors. eta vs tors. theta energy: -2.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 132 Temperature: 1.150000 Total energy: -34.634897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.634897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.634897 (E_RNA) where: Base-Base interactions energy: -11.328 where: short stacking energy: -11.328 Base-Backbone interact. energy: -0.000 local terms energy: -23.306993 where: bonds (distance) C4'-P energy: -5.261 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -3.661 flat angles P-C4'-P energy: -2.777 tors. eta vs tors. theta energy: -5.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 132 Temperature: 1.200000 Total energy: -35.142404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.142404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.142404 (E_RNA) where: Base-Base interactions energy: -11.217 where: short stacking energy: -11.217 Base-Backbone interact. energy: -0.009 local terms energy: -23.916162 where: bonds (distance) C4'-P energy: -5.104 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -4.830 flat angles P-C4'-P energy: -3.214 tors. eta vs tors. theta energy: -4.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 132 Temperature: 1.250000 Total energy: -29.946931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.946931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.946931 (E_RNA) where: Base-Base interactions energy: -8.556 where: short stacking energy: -8.556 Base-Backbone interact. energy: -0.972 local terms energy: -20.419037 where: bonds (distance) C4'-P energy: -5.233 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -6.086 flat angles P-C4'-P energy: -4.401 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: 9, replica: 7 ===================================== Write number: 132 Temperature: 1.300000 Total energy: -30.231955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.231955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.231955 (E_RNA) where: Base-Base interactions energy: -12.659 where: short stacking energy: -12.659 Base-Backbone interact. energy: -0.000 local terms energy: -17.572797 where: bonds (distance) C4'-P energy: -5.484 bonds (distance) P-C4' energy: -6.358 flat angles C4'-P-C4' energy: -3.456 flat angles P-C4'-P energy: 0.863 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: 6 ===================================== Write number: 132 Temperature: 1.350000 Total energy: -26.879706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.879706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.879706 (E_RNA) where: Base-Base interactions energy: -6.425 where: short stacking energy: -6.425 Base-Backbone interact. energy: -0.000 local terms energy: -20.454534 where: bonds (distance) C4'-P energy: -5.171 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -4.725 flat angles P-C4'-P energy: -3.635 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: 1, replica: 2 ===================================== Write number: 133 Temperature: 0.900000 Total energy: -41.864444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.864444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.864444 (E_RNA) where: Base-Base interactions energy: -14.242 where: short stacking energy: -14.242 Base-Backbone interact. energy: -0.000 local terms energy: -27.622336 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -6.389 flat angles C4'-P-C4' energy: -5.410 flat angles P-C4'-P energy: -5.109 tors. eta vs tors. theta energy: -5.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 133 Temperature: 0.950000 Total energy: -39.074924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.074924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.074924 (E_RNA) where: Base-Base interactions energy: -15.923 where: short stacking energy: -15.923 Base-Backbone interact. energy: -0.000 local terms energy: -23.151779 where: bonds (distance) C4'-P energy: -4.276 bonds (distance) P-C4' energy: -6.457 flat angles C4'-P-C4' energy: -4.237 flat angles P-C4'-P energy: -4.070 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: 133 Temperature: 1.000000 Total energy: -40.378775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.378775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.378775 (E_RNA) where: Base-Base interactions energy: -14.291 where: short stacking energy: -14.291 Base-Backbone interact. energy: -0.000 local terms energy: -26.086897 where: bonds (distance) C4'-P energy: -6.246 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -4.260 flat angles P-C4'-P energy: -3.882 tors. eta vs tors. theta energy: -4.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 133 Temperature: 1.050000 Total energy: -34.867982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.867982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.867982 (E_RNA) where: Base-Base interactions energy: -13.402 where: short stacking energy: -13.402 Base-Backbone interact. energy: -0.000 local terms energy: -21.465820 where: bonds (distance) C4'-P energy: -5.518 bonds (distance) P-C4' energy: -6.622 flat angles C4'-P-C4' energy: -5.292 flat angles P-C4'-P energy: -1.864 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: 5, replica: 3 ===================================== Write number: 133 Temperature: 1.100000 Total energy: -36.702343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.702343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.702343 (E_RNA) where: Base-Base interactions energy: -16.920 where: short stacking energy: -12.982 Base-Backbone interact. energy: -0.000 local terms energy: -19.781734 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -0.513 flat angles P-C4'-P energy: -4.218 tors. eta vs tors. theta energy: -1.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 133 Temperature: 1.150000 Total energy: -32.633789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.633789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.633789 (E_RNA) where: Base-Base interactions energy: -9.313 where: short stacking energy: -9.313 Base-Backbone interact. energy: -0.001 local terms energy: -23.319846 where: bonds (distance) C4'-P energy: -6.006 bonds (distance) P-C4' energy: -5.920 flat angles C4'-P-C4' energy: -4.377 flat angles P-C4'-P energy: -4.502 tors. eta vs tors. theta energy: -2.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 133 Temperature: 1.200000 Total energy: -35.000332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.000332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.000332 (E_RNA) where: Base-Base interactions energy: -10.157 where: short stacking energy: -10.157 Base-Backbone interact. energy: -0.089 local terms energy: -24.754515 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -5.931 flat angles C4'-P-C4' energy: -3.636 flat angles P-C4'-P energy: -4.606 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: 8, replica: 10 ===================================== Write number: 133 Temperature: 1.250000 Total energy: -30.874788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.874788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.874788 (E_RNA) where: Base-Base interactions energy: -9.214 where: short stacking energy: -9.214 Base-Backbone interact. energy: -0.001 local terms energy: -21.659193 where: bonds (distance) C4'-P energy: -4.669 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -5.529 flat angles P-C4'-P energy: -2.711 tors. eta vs tors. theta energy: -2.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 133 Temperature: 1.300000 Total energy: -32.264205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.264205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.264205 (E_RNA) where: Base-Base interactions energy: -16.301 where: short stacking energy: -16.301 Base-Backbone interact. energy: -0.104 local terms energy: -15.859766 where: bonds (distance) C4'-P energy: -0.894 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -3.759 flat angles P-C4'-P energy: -1.997 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: 10, replica: 6 ===================================== Write number: 133 Temperature: 1.350000 Total energy: -30.789053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.789053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.789053 (E_RNA) where: Base-Base interactions energy: -11.580 where: short stacking energy: -11.580 Base-Backbone interact. energy: -0.000 local terms energy: -19.208885 where: bonds (distance) C4'-P energy: -5.589 bonds (distance) P-C4' energy: -4.523 flat angles C4'-P-C4' energy: -4.513 flat angles P-C4'-P energy: -2.529 tors. eta vs tors. theta energy: -2.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 134 Temperature: 0.900000 Total energy: -42.193272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.193272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.193272 (E_RNA) where: Base-Base interactions energy: -16.933 where: short stacking energy: -16.933 Base-Backbone interact. energy: -0.256 local terms energy: -25.004134 where: bonds (distance) C4'-P energy: -4.669 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -4.227 flat angles P-C4'-P energy: -3.553 tors. eta vs tors. theta energy: -5.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 134 Temperature: 0.950000 Total energy: -38.439934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.439934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.439934 (E_RNA) where: Base-Base interactions energy: -15.278 where: short stacking energy: -15.278 Base-Backbone interact. energy: -0.001 local terms energy: -23.161456 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -5.448 flat angles C4'-P-C4' energy: -5.408 flat angles P-C4'-P energy: -3.984 tors. eta vs tors. theta energy: -2.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 134 Temperature: 1.000000 Total energy: -42.368889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.368889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.368889 (E_RNA) where: Base-Base interactions energy: -16.606 where: short stacking energy: -16.606 Base-Backbone interact. energy: -0.000 local terms energy: -25.762620 where: bonds (distance) C4'-P energy: -4.880 bonds (distance) P-C4' energy: -5.043 flat angles C4'-P-C4' energy: -5.985 flat angles P-C4'-P energy: -3.744 tors. eta vs tors. theta energy: -6.110 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: 9 ===================================== Write number: 134 Temperature: 1.050000 Total energy: -34.720137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.720137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.720137 (E_RNA) where: Base-Base interactions energy: -13.693 where: short stacking energy: -13.509 Base-Backbone interact. energy: -0.009 local terms energy: -21.018329 where: bonds (distance) C4'-P energy: -3.816 bonds (distance) P-C4' energy: -5.956 flat angles C4'-P-C4' energy: -4.122 flat angles P-C4'-P energy: -1.478 tors. eta vs tors. theta energy: -5.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 134 Temperature: 1.100000 Total energy: -35.034186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.034186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.034186 (E_RNA) where: Base-Base interactions energy: -14.376 where: short stacking energy: -14.376 Base-Backbone interact. energy: -0.000 local terms energy: -20.658140 where: bonds (distance) C4'-P energy: -4.508 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -4.265 flat angles P-C4'-P energy: -3.023 tors. eta vs tors. theta energy: -1.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 134 Temperature: 1.150000 Total energy: -35.105026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.105026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.105026 (E_RNA) where: Base-Base interactions energy: -12.574 where: short stacking energy: -12.574 Base-Backbone interact. energy: -1.182 local terms energy: -21.348980 where: bonds (distance) C4'-P energy: -5.373 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -4.437 flat angles P-C4'-P energy: -3.454 tors. eta vs tors. theta energy: -2.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 134 Temperature: 1.200000 Total energy: -36.288492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.288492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.288492 (E_RNA) where: Base-Base interactions energy: -13.492 where: short stacking energy: -13.492 Base-Backbone interact. energy: -0.000 local terms energy: -22.796722 where: bonds (distance) C4'-P energy: -5.269 bonds (distance) P-C4' energy: -4.649 flat angles C4'-P-C4' energy: -5.270 flat angles P-C4'-P energy: -4.436 tors. eta vs tors. theta energy: -3.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 134 Temperature: 1.250000 Total energy: -31.698859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.698859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.698859 (E_RNA) where: Base-Base interactions energy: -8.751 where: short stacking energy: -8.751 Base-Backbone interact. energy: -0.163 local terms energy: -22.784721 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -5.512 flat angles C4'-P-C4' energy: -4.697 flat angles P-C4'-P energy: -4.595 tors. eta vs tors. theta energy: -2.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 134 Temperature: 1.300000 Total energy: -34.733461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.733461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.733461 (E_RNA) where: Base-Base interactions energy: -13.282 where: short stacking energy: -13.282 Base-Backbone interact. energy: -0.001 local terms energy: -21.450451 where: bonds (distance) C4'-P energy: -4.951 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -4.934 flat angles P-C4'-P energy: -4.592 tors. eta vs tors. theta energy: -0.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 134 Temperature: 1.350000 Total energy: -35.636876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.636876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.636876 (E_RNA) where: Base-Base interactions energy: -17.019 where: short stacking energy: -17.019 Base-Backbone interact. energy: -0.001 local terms energy: -18.616598 where: bonds (distance) C4'-P energy: -4.169 bonds (distance) P-C4' energy: -4.969 flat angles C4'-P-C4' energy: -5.555 flat angles P-C4'-P energy: 0.208 tors. eta vs tors. theta energy: -4.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 135 Temperature: 0.900000 Total energy: -44.583408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.583408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.583408 (E_RNA) where: Base-Base interactions energy: -17.582 where: short stacking energy: -17.582 Base-Backbone interact. energy: -0.000 local terms energy: -27.001188 where: bonds (distance) C4'-P energy: -6.263 bonds (distance) P-C4' energy: -6.100 flat angles C4'-P-C4' energy: -4.463 flat angles P-C4'-P energy: -4.226 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: 2, replica: 1 ===================================== Write number: 135 Temperature: 0.950000 Total energy: -41.404679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.404679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.404679 (E_RNA) where: Base-Base interactions energy: -14.670 where: short stacking energy: -14.670 Base-Backbone interact. energy: -0.000 local terms energy: -26.734376 where: bonds (distance) C4'-P energy: -6.168 bonds (distance) P-C4' energy: -7.144 flat angles C4'-P-C4' energy: -4.647 flat angles P-C4'-P energy: -5.053 tors. eta vs tors. theta energy: -3.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 135 Temperature: 1.000000 Total energy: -41.922997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.922997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.922997 (E_RNA) where: Base-Base interactions energy: -13.379 where: short stacking energy: -13.379 Base-Backbone interact. energy: -0.000 local terms energy: -28.544205 where: bonds (distance) C4'-P energy: -4.975 bonds (distance) P-C4' energy: -5.209 flat angles C4'-P-C4' energy: -5.532 flat angles P-C4'-P energy: -5.344 tors. eta vs tors. theta energy: -7.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 135 Temperature: 1.050000 Total energy: -36.076580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.076580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.076580 (E_RNA) where: Base-Base interactions energy: -11.934 where: short stacking energy: -11.934 Base-Backbone interact. energy: -0.001 local terms energy: -24.142205 where: bonds (distance) C4'-P energy: -5.021 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -5.054 flat angles P-C4'-P energy: -4.423 tors. eta vs tors. theta energy: -2.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 135 Temperature: 1.100000 Total energy: -34.898481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.898481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.898481 (E_RNA) where: Base-Base interactions energy: -10.872 where: short stacking energy: -10.872 Base-Backbone interact. energy: -0.000 local terms energy: -24.026540 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -4.631 flat angles C4'-P-C4' energy: -6.167 flat angles P-C4'-P energy: -3.843 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: 6, replica: 10 ===================================== Write number: 135 Temperature: 1.150000 Total energy: -37.637005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.637005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.637005 (E_RNA) where: Base-Base interactions energy: -13.546 where: short stacking energy: -13.546 Base-Backbone interact. energy: -0.000 local terms energy: -24.090439 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -5.572 flat angles P-C4'-P energy: -2.309 tors. eta vs tors. theta energy: -3.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 135 Temperature: 1.200000 Total energy: -32.487070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.487070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.487070 (E_RNA) where: Base-Base interactions energy: -10.356 where: short stacking energy: -10.356 Base-Backbone interact. energy: -0.000 local terms energy: -22.131232 where: bonds (distance) C4'-P energy: -4.570 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -6.236 flat angles P-C4'-P energy: -4.298 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: 8, replica: 6 ===================================== Write number: 135 Temperature: 1.250000 Total energy: -31.514935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.514935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.514935 (E_RNA) where: Base-Base interactions energy: -11.712 where: short stacking energy: -11.712 Base-Backbone interact. energy: -0.003 local terms energy: -19.800283 where: bonds (distance) C4'-P energy: -4.135 bonds (distance) P-C4' energy: -1.684 flat angles C4'-P-C4' energy: -5.940 flat angles P-C4'-P energy: -3.056 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: 9, replica: 4 ===================================== Write number: 135 Temperature: 1.300000 Total energy: -28.997321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.997321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.997321 (E_RNA) where: Base-Base interactions energy: -8.743 where: short stacking energy: -8.743 Base-Backbone interact. energy: -0.004 local terms energy: -20.249625 where: bonds (distance) C4'-P energy: -5.608 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -4.613 flat angles P-C4'-P energy: -3.313 tors. eta vs tors. theta energy: 0.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 135 Temperature: 1.350000 Total energy: -30.729964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.729964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.729964 (E_RNA) where: Base-Base interactions energy: -9.041 where: short stacking energy: -9.041 Base-Backbone interact. energy: -0.009 local terms energy: -21.680010 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -2.723 flat angles P-C4'-P energy: -4.071 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: 1 ===================================== Write number: 136 Temperature: 0.900000 Total energy: -43.254098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.254098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.254098 (E_RNA) where: Base-Base interactions energy: -16.868 where: short stacking energy: -16.868 Base-Backbone interact. energy: -0.002 local terms energy: -26.384058 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.978 flat angles P-C4'-P energy: -4.389 tors. eta vs tors. theta energy: -3.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 136 Temperature: 0.950000 Total energy: -42.099721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.099721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.099721 (E_RNA) where: Base-Base interactions energy: -14.527 where: short stacking energy: -14.527 Base-Backbone interact. energy: -0.000 local terms energy: -27.572514 where: bonds (distance) C4'-P energy: -5.750 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -3.416 flat angles P-C4'-P energy: -5.224 tors. eta vs tors. theta energy: -6.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 136 Temperature: 1.000000 Total energy: -32.590572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.590572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.590572 (E_RNA) where: Base-Base interactions energy: -11.816 where: short stacking energy: -11.816 Base-Backbone interact. energy: -0.010 local terms energy: -20.764801 where: bonds (distance) C4'-P energy: -4.450 bonds (distance) P-C4' energy: -6.153 flat angles C4'-P-C4' energy: -5.916 flat angles P-C4'-P energy: -3.369 tors. eta vs tors. theta energy: -0.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 136 Temperature: 1.050000 Total energy: -35.577900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.577900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.577900 (E_RNA) where: Base-Base interactions energy: -11.278 where: short stacking energy: -11.278 Base-Backbone interact. energy: -0.001 local terms energy: -24.299290 where: bonds (distance) C4'-P energy: -6.354 bonds (distance) P-C4' energy: -6.389 flat angles C4'-P-C4' energy: -6.446 flat angles P-C4'-P energy: -3.723 tors. eta vs tors. theta energy: -1.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 136 Temperature: 1.100000 Total energy: -31.792089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.792089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.792089 (E_RNA) where: Base-Base interactions energy: -9.236 where: short stacking energy: -9.236 Base-Backbone interact. energy: -0.052 local terms energy: -22.503517 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -3.550 flat angles P-C4'-P energy: -3.617 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: 6, replica: 9 ===================================== Write number: 136 Temperature: 1.150000 Total energy: -30.691158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.691158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.691158 (E_RNA) where: Base-Base interactions energy: -12.458 where: short stacking energy: -12.458 Base-Backbone interact. energy: -0.072 local terms energy: -18.161991 where: bonds (distance) C4'-P energy: -4.276 bonds (distance) P-C4' energy: -5.837 flat angles C4'-P-C4' energy: -4.317 flat angles P-C4'-P energy: -1.986 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: 7, replica: 6 ===================================== Write number: 136 Temperature: 1.200000 Total energy: -38.173523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.173523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.173523 (E_RNA) where: Base-Base interactions energy: -12.190 where: short stacking energy: -12.190 Base-Backbone interact. energy: -0.000 local terms energy: -25.983556 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -6.020 flat angles P-C4'-P energy: -4.207 tors. eta vs tors. theta energy: -3.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 136 Temperature: 1.250000 Total energy: -30.646241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.646241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.646241 (E_RNA) where: Base-Base interactions energy: -8.733 where: short stacking energy: -8.733 Base-Backbone interact. energy: -0.041 local terms energy: -21.871968 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.678 flat angles C4'-P-C4' energy: -5.641 flat angles P-C4'-P energy: -2.553 tors. eta vs tors. theta energy: -1.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 136 Temperature: 1.300000 Total energy: -34.535127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.535127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.535127 (E_RNA) where: Base-Base interactions energy: -13.041 where: short stacking energy: -13.041 Base-Backbone interact. energy: -0.000 local terms energy: -21.494179 where: bonds (distance) C4'-P energy: -4.603 bonds (distance) P-C4' energy: -5.143 flat angles C4'-P-C4' energy: -4.372 flat angles P-C4'-P energy: -1.954 tors. eta vs tors. theta energy: -5.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 136 Temperature: 1.350000 Total energy: -28.417026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.417026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.417026 (E_RNA) where: Base-Base interactions energy: -10.425 where: short stacking energy: -10.425 Base-Backbone interact. energy: -0.008 local terms energy: -17.983898 where: bonds (distance) C4'-P energy: -4.755 bonds (distance) P-C4' energy: -5.956 flat angles C4'-P-C4' energy: -4.185 flat angles P-C4'-P energy: -1.269 tors. eta vs tors. theta energy: -1.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 137 Temperature: 0.900000 Total energy: -40.618801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.618801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.618801 (E_RNA) where: Base-Base interactions energy: -15.083 where: short stacking energy: -15.083 Base-Backbone interact. energy: -0.001 local terms energy: -25.534840 where: bonds (distance) C4'-P energy: -5.422 bonds (distance) P-C4' energy: -6.873 flat angles C4'-P-C4' energy: -5.375 flat angles P-C4'-P energy: -5.415 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: 3 ===================================== Write number: 137 Temperature: 0.950000 Total energy: -39.962565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.962565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.962565 (E_RNA) where: Base-Base interactions energy: -14.620 where: short stacking energy: -14.620 Base-Backbone interact. energy: -0.074 local terms energy: -25.269168 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -5.674 flat angles C4'-P-C4' energy: -6.201 flat angles P-C4'-P energy: -4.337 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: 3, replica: 2 ===================================== Write number: 137 Temperature: 1.000000 Total energy: -39.158824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.158824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.158824 (E_RNA) where: Base-Base interactions energy: -13.751 where: short stacking energy: -13.751 Base-Backbone interact. energy: -0.014 local terms energy: -25.393913 where: bonds (distance) C4'-P energy: -5.716 bonds (distance) P-C4' energy: -5.506 flat angles C4'-P-C4' energy: -5.698 flat angles P-C4'-P energy: -3.570 tors. eta vs tors. theta energy: -4.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 137 Temperature: 1.050000 Total energy: -35.677971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.677971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.677971 (E_RNA) where: Base-Base interactions energy: -12.715 where: short stacking energy: -12.715 Base-Backbone interact. energy: -0.086 local terms energy: -22.876739 where: bonds (distance) C4'-P energy: -4.880 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -6.245 flat angles P-C4'-P energy: -3.478 tors. eta vs tors. theta energy: -2.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 137 Temperature: 1.100000 Total energy: -35.600937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.600937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.600937 (E_RNA) where: Base-Base interactions energy: -11.264 where: short stacking energy: -11.264 Base-Backbone interact. energy: -0.040 local terms energy: -24.296651 where: bonds (distance) C4'-P energy: -5.608 bonds (distance) P-C4' energy: -5.705 flat angles C4'-P-C4' energy: -6.033 flat angles P-C4'-P energy: -2.672 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: 6, replica: 6 ===================================== Write number: 137 Temperature: 1.150000 Total energy: -32.653807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.653807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.653807 (E_RNA) where: Base-Base interactions energy: -11.563 where: short stacking energy: -11.563 Base-Backbone interact. energy: -0.001 local terms energy: -21.089923 where: bonds (distance) C4'-P energy: -6.569 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -2.778 flat angles P-C4'-P energy: -3.019 tors. eta vs tors. theta energy: -1.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 137 Temperature: 1.200000 Total energy: -34.758879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.758879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.758879 (E_RNA) where: Base-Base interactions energy: -12.641 where: short stacking energy: -12.641 Base-Backbone interact. energy: -0.110 local terms energy: -22.007709 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -3.369 flat angles P-C4'-P energy: -4.360 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: 8, replica: 7 ===================================== Write number: 137 Temperature: 1.250000 Total energy: -31.704665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.704665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.704665 (E_RNA) where: Base-Base interactions energy: -10.438 where: short stacking energy: -10.438 Base-Backbone interact. energy: -0.019 local terms energy: -21.247136 where: bonds (distance) C4'-P energy: -4.769 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -4.721 flat angles P-C4'-P energy: -3.455 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: 9, replica: 5 ===================================== Write number: 137 Temperature: 1.300000 Total energy: -28.797750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.797750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.797750 (E_RNA) where: Base-Base interactions energy: -12.520 where: short stacking energy: -12.520 Base-Backbone interact. energy: -0.064 local terms energy: -16.213339 where: bonds (distance) C4'-P energy: -5.484 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -4.830 flat angles P-C4'-P energy: -1.230 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: 4 ===================================== Write number: 137 Temperature: 1.350000 Total energy: -28.101770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.101770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.101770 (E_RNA) where: Base-Base interactions energy: -9.035 where: short stacking energy: -9.035 Base-Backbone interact. energy: -0.088 local terms energy: -18.978366 where: bonds (distance) C4'-P energy: -4.027 bonds (distance) P-C4' energy: -5.826 flat angles C4'-P-C4' energy: -4.559 flat angles P-C4'-P energy: -3.824 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: 1, replica: 3 ===================================== Write number: 138 Temperature: 0.900000 Total energy: -40.094300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.094300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.094300 (E_RNA) where: Base-Base interactions energy: -13.553 where: short stacking energy: -13.553 Base-Backbone interact. energy: -0.008 local terms energy: -26.532725 where: bonds (distance) C4'-P energy: -5.104 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -6.433 flat angles P-C4'-P energy: -4.695 tors. eta vs tors. theta energy: -4.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 138 Temperature: 0.950000 Total energy: -42.561013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.561013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.561013 (E_RNA) where: Base-Base interactions energy: -14.087 where: short stacking energy: -14.087 Base-Backbone interact. energy: -0.000 local terms energy: -28.473429 where: bonds (distance) C4'-P energy: -5.543 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -4.597 flat angles P-C4'-P energy: -5.059 tors. eta vs tors. theta energy: -6.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 138 Temperature: 1.000000 Total energy: -35.202448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.202448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.202448 (E_RNA) where: Base-Base interactions energy: -13.849 where: short stacking energy: -13.849 Base-Backbone interact. energy: -0.025 local terms energy: -21.327794 where: bonds (distance) C4'-P energy: -3.929 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -4.653 flat angles P-C4'-P energy: -4.737 tors. eta vs tors. theta energy: -1.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 138 Temperature: 1.050000 Total energy: -30.939548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.939548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.939548 (E_RNA) where: Base-Base interactions energy: -8.956 where: short stacking energy: -8.956 Base-Backbone interact. energy: -0.723 local terms energy: -21.260121 where: bonds (distance) C4'-P energy: -3.973 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.821 flat angles P-C4'-P energy: -4.068 tors. eta vs tors. theta energy: -1.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 138 Temperature: 1.100000 Total energy: -37.189663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.189663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.189663 (E_RNA) where: Base-Base interactions energy: -15.377 where: short stacking energy: -15.377 Base-Backbone interact. energy: -0.000 local terms energy: -21.812370 where: bonds (distance) C4'-P energy: -5.029 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -5.175 flat angles P-C4'-P energy: -2.666 tors. eta vs tors. theta energy: -2.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 138 Temperature: 1.150000 Total energy: -36.251276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.251276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.251276 (E_RNA) where: Base-Base interactions energy: -14.565 where: short stacking energy: -14.565 Base-Backbone interact. energy: -0.102 local terms energy: -21.583659 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.332 flat angles P-C4'-P energy: -3.823 tors. eta vs tors. theta energy: -1.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 138 Temperature: 1.200000 Total energy: -32.331401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.331401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.331401 (E_RNA) where: Base-Base interactions energy: -9.694 where: short stacking energy: -9.694 Base-Backbone interact. energy: -0.083 local terms energy: -22.553758 where: bonds (distance) C4'-P energy: -5.368 bonds (distance) P-C4' energy: -4.172 flat angles C4'-P-C4' energy: -6.503 flat angles P-C4'-P energy: -3.476 tors. eta vs tors. theta energy: -3.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 138 Temperature: 1.250000 Total energy: -29.746805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.746805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.746805 (E_RNA) where: Base-Base interactions energy: -11.938 where: short stacking energy: -11.938 Base-Backbone interact. energy: -0.031 local terms energy: -17.777593 where: bonds (distance) C4'-P energy: -4.611 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -4.399 flat angles P-C4'-P energy: -3.007 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: 9, replica: 4 ===================================== Write number: 138 Temperature: 1.300000 Total energy: -29.794581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.794581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.794581 (E_RNA) where: Base-Base interactions energy: -12.684 where: short stacking energy: -12.684 Base-Backbone interact. energy: -0.004 local terms energy: -17.106116 where: bonds (distance) C4'-P energy: -6.044 bonds (distance) P-C4' energy: -3.656 flat angles C4'-P-C4' energy: -3.619 flat angles P-C4'-P energy: -3.822 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: 10, replica: 5 ===================================== Write number: 138 Temperature: 1.350000 Total energy: -31.592890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.592890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.592890 (E_RNA) where: Base-Base interactions energy: -11.502 where: short stacking energy: -11.502 Base-Backbone interact. energy: -0.088 local terms energy: -20.002299 where: bonds (distance) C4'-P energy: -5.199 bonds (distance) P-C4' energy: -6.460 flat angles C4'-P-C4' energy: -4.549 flat angles P-C4'-P energy: -2.824 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: 1, replica: 3 ===================================== Write number: 139 Temperature: 0.900000 Total energy: -40.000686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.000686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.000686 (E_RNA) where: Base-Base interactions energy: -14.990 where: short stacking energy: -14.990 Base-Backbone interact. energy: -0.043 local terms energy: -24.967873 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -6.364 flat angles C4'-P-C4' energy: -3.736 flat angles P-C4'-P energy: -4.859 tors. eta vs tors. theta energy: -4.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 139 Temperature: 0.950000 Total energy: -36.350862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.350862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.350862 (E_RNA) where: Base-Base interactions energy: -12.300 where: short stacking energy: -12.300 Base-Backbone interact. energy: -0.001 local terms energy: -24.049267 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -5.837 flat angles C4'-P-C4' energy: -4.896 flat angles P-C4'-P energy: -5.049 tors. eta vs tors. theta energy: -2.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 139 Temperature: 1.000000 Total energy: -29.919296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.919296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.919296 (E_RNA) where: Base-Base interactions energy: -4.949 where: short stacking energy: -4.949 Base-Backbone interact. energy: -0.000 local terms energy: -24.969924 where: bonds (distance) C4'-P energy: -5.729 bonds (distance) P-C4' energy: -5.966 flat angles C4'-P-C4' energy: -3.221 flat angles P-C4'-P energy: -3.385 tors. eta vs tors. theta energy: -6.668 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: 6 ===================================== Write number: 139 Temperature: 1.050000 Total energy: -40.079268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.079268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.079268 (E_RNA) where: Base-Base interactions energy: -16.390 where: short stacking energy: -16.390 Base-Backbone interact. energy: -0.000 local terms energy: -23.688578 where: bonds (distance) C4'-P energy: -5.990 bonds (distance) P-C4' energy: -5.956 flat angles C4'-P-C4' energy: -6.744 flat angles P-C4'-P energy: -1.683 tors. eta vs tors. theta energy: -3.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 139 Temperature: 1.100000 Total energy: -30.790658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.790658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.790658 (E_RNA) where: Base-Base interactions energy: -13.110 where: short stacking energy: -13.110 Base-Backbone interact. energy: -0.177 local terms energy: -17.504120 where: bonds (distance) C4'-P energy: -6.044 bonds (distance) P-C4' energy: -5.730 flat angles C4'-P-C4' energy: -4.253 flat angles P-C4'-P energy: -2.426 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: 6, replica: 7 ===================================== Write number: 139 Temperature: 1.150000 Total energy: -33.937720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.937720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.937720 (E_RNA) where: Base-Base interactions energy: -12.303 where: short stacking energy: -12.303 Base-Backbone interact. energy: -0.005 local terms energy: -21.629515 where: bonds (distance) C4'-P energy: -6.370 bonds (distance) P-C4' energy: -5.541 flat angles C4'-P-C4' energy: -6.144 flat angles P-C4'-P energy: -4.221 tors. eta vs tors. theta energy: 0.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 139 Temperature: 1.200000 Total energy: -29.253073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.253073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.253073 (E_RNA) where: Base-Base interactions energy: -4.454 where: short stacking energy: -4.454 Base-Backbone interact. energy: -0.100 local terms energy: -24.698569 where: bonds (distance) C4'-P energy: -5.225 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -5.541 flat angles P-C4'-P energy: -3.637 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: 8, replica: 4 ===================================== Write number: 139 Temperature: 1.250000 Total energy: -32.318765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.318765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.318765 (E_RNA) where: Base-Base interactions energy: -12.360 where: short stacking energy: -12.360 Base-Backbone interact. energy: -0.039 local terms energy: -19.920468 where: bonds (distance) C4'-P energy: -3.001 bonds (distance) P-C4' energy: -6.104 flat angles C4'-P-C4' energy: -6.489 flat angles P-C4'-P energy: -4.303 tors. eta vs tors. theta energy: -0.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 139 Temperature: 1.300000 Total energy: -31.110748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.110748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.110748 (E_RNA) where: Base-Base interactions energy: -9.604 where: short stacking energy: -9.604 Base-Backbone interact. energy: -0.037 local terms energy: -21.469949 where: bonds (distance) C4'-P energy: -3.449 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -6.090 flat angles P-C4'-P energy: -2.900 tors. eta vs tors. theta energy: -2.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 139 Temperature: 1.350000 Total energy: -32.352879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.352879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.352879 (E_RNA) where: Base-Base interactions energy: -12.797 where: short stacking energy: -12.797 Base-Backbone interact. energy: -0.024 local terms energy: -19.531526 where: bonds (distance) C4'-P energy: -1.958 bonds (distance) P-C4' energy: -5.830 flat angles C4'-P-C4' energy: -4.251 flat angles P-C4'-P energy: -5.714 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: 10 ===================================== Write number: 140 Temperature: 0.900000 Total energy: -34.201162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.201162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.201162 (E_RNA) where: Base-Base interactions energy: -13.500 where: short stacking energy: -13.500 Base-Backbone interact. energy: -0.026 local terms energy: -20.674728 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -4.436 flat angles P-C4'-P energy: -3.907 tors. eta vs tors. theta energy: 0.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 140 Temperature: 0.950000 Total energy: -38.969251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.969251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.969251 (E_RNA) where: Base-Base interactions energy: -13.072 where: short stacking energy: -13.072 Base-Backbone interact. energy: -0.001 local terms energy: -25.895833 where: bonds (distance) C4'-P energy: -4.010 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -6.428 flat angles P-C4'-P energy: -4.858 tors. eta vs tors. theta energy: -3.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 140 Temperature: 1.000000 Total energy: -40.601676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.601676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.601676 (E_RNA) where: Base-Base interactions energy: -15.701 where: short stacking energy: -15.701 Base-Backbone interact. energy: -0.010 local terms energy: -24.891179 where: bonds (distance) C4'-P energy: -4.694 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -5.258 flat angles P-C4'-P energy: -3.658 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: 4, replica: 1 ===================================== Write number: 140 Temperature: 1.050000 Total energy: -37.830002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.830002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.830002 (E_RNA) where: Base-Base interactions energy: -15.650 where: short stacking energy: -15.650 Base-Backbone interact. energy: -0.048 local terms energy: -22.131490 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -4.001 flat angles P-C4'-P energy: -1.983 tors. eta vs tors. theta energy: -3.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 140 Temperature: 1.100000 Total energy: -33.661184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.661184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.661184 (E_RNA) where: Base-Base interactions energy: -8.845 where: short stacking energy: -8.845 Base-Backbone interact. energy: -0.002 local terms energy: -24.814224 where: bonds (distance) C4'-P energy: -5.091 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -6.710 flat angles P-C4'-P energy: -3.556 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: 6, replica: 2 ===================================== Write number: 140 Temperature: 1.150000 Total energy: -37.037471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.037471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.037471 (E_RNA) where: Base-Base interactions energy: -14.156 where: short stacking energy: -14.156 Base-Backbone interact. energy: -0.000 local terms energy: -22.881434 where: bonds (distance) C4'-P energy: -4.231 bonds (distance) P-C4' energy: -4.202 flat angles C4'-P-C4' energy: -3.365 flat angles P-C4'-P energy: -4.737 tors. eta vs tors. theta energy: -6.346 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: 4 ===================================== Write number: 140 Temperature: 1.200000 Total energy: -30.353739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.353739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.353739 (E_RNA) where: Base-Base interactions energy: -13.147 where: short stacking energy: -13.147 Base-Backbone interact. energy: -0.000 local terms energy: -17.206865 where: bonds (distance) C4'-P energy: -2.810 bonds (distance) P-C4' energy: -5.435 flat angles C4'-P-C4' energy: -3.884 flat angles P-C4'-P energy: -3.455 tors. eta vs tors. theta energy: -1.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 140 Temperature: 1.250000 Total energy: -31.156482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.156482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.156482 (E_RNA) where: Base-Base interactions energy: -10.528 where: short stacking energy: -10.528 Base-Backbone interact. energy: -0.081 local terms energy: -20.548374 where: bonds (distance) C4'-P energy: -5.589 bonds (distance) P-C4' energy: -6.873 flat angles C4'-P-C4' energy: -4.394 flat angles P-C4'-P energy: -3.503 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: 140 Temperature: 1.300000 Total energy: -30.167884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.167884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.167884 (E_RNA) where: Base-Base interactions energy: -7.569 where: short stacking energy: -7.569 Base-Backbone interact. energy: -0.000 local terms energy: -22.598504 where: bonds (distance) C4'-P energy: -5.137 bonds (distance) P-C4' energy: -6.382 flat angles C4'-P-C4' energy: -6.097 flat angles P-C4'-P energy: -3.973 tors. eta vs tors. theta energy: -1.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 140 Temperature: 1.350000 Total energy: -28.304579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.304579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.304579 (E_RNA) where: Base-Base interactions energy: -7.523 where: short stacking energy: -7.523 Base-Backbone interact. energy: -0.001 local terms energy: -20.780687 where: bonds (distance) C4'-P energy: -6.462 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -4.328 flat angles P-C4'-P energy: -3.215 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: 10 ===================================== Write number: 141 Temperature: 0.900000 Total energy: -33.262539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.262539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.262539 (E_RNA) where: Base-Base interactions energy: -10.365 where: short stacking energy: -10.365 Base-Backbone interact. energy: -0.108 local terms energy: -22.789999 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -6.658 flat angles P-C4'-P energy: -4.580 tors. eta vs tors. theta energy: 0.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 141 Temperature: 0.950000 Total energy: -39.182583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.182583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.182583 (E_RNA) where: Base-Base interactions energy: -16.915 where: short stacking energy: -16.915 Base-Backbone interact. energy: -0.147 local terms energy: -22.121079 where: bonds (distance) C4'-P energy: -5.125 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -4.411 flat angles P-C4'-P energy: -3.140 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: 3, replica: 3 ===================================== Write number: 141 Temperature: 1.000000 Total energy: -36.481186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.481186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.481186 (E_RNA) where: Base-Base interactions energy: -11.662 where: short stacking energy: -11.662 Base-Backbone interact. energy: -0.106 local terms energy: -24.713870 where: bonds (distance) C4'-P energy: -4.517 bonds (distance) P-C4' energy: -5.572 flat angles C4'-P-C4' energy: -5.858 flat angles P-C4'-P energy: -5.374 tors. eta vs tors. theta energy: -3.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 141 Temperature: 1.050000 Total energy: -34.535583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.535583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.535583 (E_RNA) where: Base-Base interactions energy: -12.796 where: short stacking energy: -12.796 Base-Backbone interact. energy: -0.004 local terms energy: -21.735373 where: bonds (distance) C4'-P energy: -4.631 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -4.127 flat angles P-C4'-P energy: -3.266 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: 7 ===================================== Write number: 141 Temperature: 1.100000 Total energy: -37.099056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.099056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.099056 (E_RNA) where: Base-Base interactions energy: -12.957 where: short stacking energy: -12.957 Base-Backbone interact. energy: -0.000 local terms energy: -24.141990 where: bonds (distance) C4'-P energy: -4.508 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -5.258 flat angles P-C4'-P energy: -2.804 tors. eta vs tors. theta energy: -4.923 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: 6, replica: 4 ===================================== Write number: 141 Temperature: 1.150000 Total energy: -33.303663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.303663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.303663 (E_RNA) where: Base-Base interactions energy: -9.792 where: short stacking energy: -9.792 Base-Backbone interact. energy: -0.004 local terms energy: -23.507882 where: bonds (distance) C4'-P energy: -5.501 bonds (distance) P-C4' energy: -6.457 flat angles C4'-P-C4' energy: -5.726 flat angles P-C4'-P energy: -4.083 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: 7, replica: 2 ===================================== Write number: 141 Temperature: 1.200000 Total energy: -37.251084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.251084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.251084 (E_RNA) where: Base-Base interactions energy: -11.637 where: short stacking energy: -11.637 Base-Backbone interact. energy: -0.016 local terms energy: -25.598134 where: bonds (distance) C4'-P energy: -4.577 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -6.518 flat angles P-C4'-P energy: -3.863 tors. eta vs tors. theta energy: -4.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 141 Temperature: 1.250000 Total energy: -28.143024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.143024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.143024 (E_RNA) where: Base-Base interactions energy: -13.124 where: short stacking energy: -13.124 Base-Backbone interact. energy: 1.759 local terms energy: -16.777358 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -5.211 flat angles P-C4'-P energy: -2.018 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: 9, replica: 8 ===================================== Write number: 141 Temperature: 1.300000 Total energy: -30.646877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.646877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.646877 (E_RNA) where: Base-Base interactions energy: -10.119 where: short stacking energy: -10.119 Base-Backbone interact. energy: -0.006 local terms energy: -20.522340 where: bonds (distance) C4'-P energy: -3.998 bonds (distance) P-C4' energy: -3.766 flat angles C4'-P-C4' energy: -5.694 flat angles P-C4'-P energy: -4.481 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: 10, replica: 9 ===================================== Write number: 141 Temperature: 1.350000 Total energy: -29.359155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.359155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.359155 (E_RNA) where: Base-Base interactions energy: -10.856 where: short stacking energy: -10.856 Base-Backbone interact. energy: -0.452 local terms energy: -18.051045 where: bonds (distance) C4'-P energy: -4.616 bonds (distance) P-C4' energy: -4.526 flat angles C4'-P-C4' energy: -5.311 flat angles P-C4'-P energy: -3.821 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: 1, replica: 6 ===================================== Write number: 142 Temperature: 0.900000 Total energy: -38.777722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.777722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.777722 (E_RNA) where: Base-Base interactions energy: -13.315 where: short stacking energy: -13.315 Base-Backbone interact. energy: -0.000 local terms energy: -25.462327 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -6.045 flat angles P-C4'-P energy: -3.577 tors. eta vs tors. theta energy: -3.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 142 Temperature: 0.950000 Total energy: -40.224083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.224083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.224083 (E_RNA) where: Base-Base interactions energy: -17.608 where: short stacking energy: -17.608 Base-Backbone interact. energy: -0.199 local terms energy: -22.417795 where: bonds (distance) C4'-P energy: -6.168 bonds (distance) P-C4' energy: -5.597 flat angles C4'-P-C4' energy: -5.399 flat angles P-C4'-P energy: -3.088 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: 3, replica: 1 ===================================== Write number: 142 Temperature: 1.000000 Total energy: -38.774623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.774623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.774623 (E_RNA) where: Base-Base interactions energy: -16.528 where: short stacking energy: -16.528 Base-Backbone interact. energy: -0.000 local terms energy: -22.246317 where: bonds (distance) C4'-P energy: -5.091 bonds (distance) P-C4' energy: -4.120 flat angles C4'-P-C4' energy: -5.775 flat angles P-C4'-P energy: -3.010 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: 4, replica: 3 ===================================== Write number: 142 Temperature: 1.050000 Total energy: -34.903328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.903328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.903328 (E_RNA) where: Base-Base interactions energy: -9.910 where: short stacking energy: -9.910 Base-Backbone interact. energy: -0.683 local terms energy: -24.309590 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -4.070 flat angles P-C4'-P energy: -3.961 tors. eta vs tors. theta energy: -4.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 142 Temperature: 1.100000 Total energy: -35.047685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.047685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.047685 (E_RNA) where: Base-Base interactions energy: -15.678 where: short stacking energy: -15.678 Base-Backbone interact. energy: -0.068 local terms energy: -19.301745 where: bonds (distance) C4'-P energy: -5.163 bonds (distance) P-C4' energy: -1.514 flat angles C4'-P-C4' energy: -5.530 flat angles P-C4'-P energy: -5.011 tors. eta vs tors. theta energy: -2.083 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: 4 ===================================== Write number: 142 Temperature: 1.150000 Total energy: -30.050751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.050751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.050751 (E_RNA) where: Base-Base interactions energy: -7.916 where: short stacking energy: -7.916 Base-Backbone interact. energy: -0.179 local terms energy: -21.955157 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -4.693 flat angles P-C4'-P energy: -4.238 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: 7, replica: 5 ===================================== Write number: 142 Temperature: 1.200000 Total energy: -30.862089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.862089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.862089 (E_RNA) where: Base-Base interactions energy: -11.041 where: short stacking energy: -11.041 Base-Backbone interact. energy: -0.000 local terms energy: -19.820649 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -2.917 flat angles P-C4'-P energy: -2.413 tors. eta vs tors. theta energy: -2.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 142 Temperature: 1.250000 Total energy: -30.815826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.815826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.815826 (E_RNA) where: Base-Base interactions energy: -12.339 where: short stacking energy: -12.339 Base-Backbone interact. energy: -0.000 local terms energy: -18.476818 where: bonds (distance) C4'-P energy: -4.985 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.499 flat angles P-C4'-P energy: -3.070 tors. eta vs tors. theta energy: -1.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 142 Temperature: 1.300000 Total energy: -31.647857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.647857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.647857 (E_RNA) where: Base-Base interactions energy: -9.806 where: short stacking energy: -9.806 Base-Backbone interact. energy: -0.010 local terms energy: -21.832209 where: bonds (distance) C4'-P energy: -4.479 bonds (distance) P-C4' energy: -7.144 flat angles C4'-P-C4' energy: -6.592 flat angles P-C4'-P energy: -1.394 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: 8 ===================================== Write number: 142 Temperature: 1.350000 Total energy: -26.755139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.755139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.755139 (E_RNA) where: Base-Base interactions energy: -5.450 where: short stacking energy: -5.450 Base-Backbone interact. energy: -0.003 local terms energy: -21.302072 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -6.099 flat angles P-C4'-P energy: -2.278 tors. eta vs tors. theta energy: -0.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 143 Temperature: 0.900000 Total energy: -44.255519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.255519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.255519 (E_RNA) where: Base-Base interactions energy: -16.914 where: short stacking energy: -16.914 Base-Backbone interact. energy: -0.005 local terms energy: -27.336647 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -6.873 flat angles C4'-P-C4' energy: -5.907 flat angles P-C4'-P energy: -5.507 tors. eta vs tors. theta energy: -3.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 143 Temperature: 0.950000 Total energy: -39.564763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.564763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.564763 (E_RNA) where: Base-Base interactions energy: -17.625 where: short stacking energy: -17.625 Base-Backbone interact. energy: -0.000 local terms energy: -21.940093 where: bonds (distance) C4'-P energy: -5.411 bonds (distance) P-C4' energy: -4.656 flat angles C4'-P-C4' energy: -5.513 flat angles P-C4'-P energy: -0.110 tors. eta vs tors. theta energy: -6.251 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: 10 ===================================== Write number: 143 Temperature: 1.000000 Total energy: -37.959833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.959833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.959833 (E_RNA) where: Base-Base interactions energy: -12.567 where: short stacking energy: -12.767 Base-Backbone interact. energy: -0.102 local terms energy: -25.290660 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -6.225 flat angles P-C4'-P energy: -3.561 tors. eta vs tors. theta energy: -2.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 143 Temperature: 1.050000 Total energy: -33.598641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.598641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.598641 (E_RNA) where: Base-Base interactions energy: -9.827 where: short stacking energy: -9.827 Base-Backbone interact. energy: -0.080 local terms energy: -23.691921 where: bonds (distance) C4'-P energy: -4.346 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -4.126 flat angles P-C4'-P energy: -4.941 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: 5, replica: 3 ===================================== Write number: 143 Temperature: 1.100000 Total energy: -33.162513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.162513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.162513 (E_RNA) where: Base-Base interactions energy: -9.850 where: short stacking energy: -9.850 Base-Backbone interact. energy: -0.004 local terms energy: -23.308480 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -5.082 flat angles C4'-P-C4' energy: -6.008 flat angles P-C4'-P energy: -3.337 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: 5 ===================================== Write number: 143 Temperature: 1.150000 Total energy: -36.857577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.857577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.857577 (E_RNA) where: Base-Base interactions energy: -14.418 where: short stacking energy: -14.418 Base-Backbone interact. energy: -0.000 local terms energy: -22.439638 where: bonds (distance) C4'-P energy: -4.020 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -5.152 flat angles P-C4'-P energy: -3.686 tors. eta vs tors. theta energy: -2.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 143 Temperature: 1.200000 Total energy: -29.348260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.348260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.348260 (E_RNA) where: Base-Base interactions energy: -8.878 where: short stacking energy: -8.878 Base-Backbone interact. energy: -0.000 local terms energy: -20.470649 where: bonds (distance) C4'-P energy: -6.453 bonds (distance) P-C4' energy: -4.202 flat angles C4'-P-C4' energy: -2.771 flat angles P-C4'-P energy: -4.651 tors. eta vs tors. theta energy: -2.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 143 Temperature: 1.250000 Total energy: -27.335035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.335035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.335035 (E_RNA) where: Base-Base interactions energy: -9.644 where: short stacking energy: -9.644 Base-Backbone interact. energy: -0.073 local terms energy: -17.618510 where: bonds (distance) C4'-P energy: -4.631 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -3.471 flat angles P-C4'-P energy: -0.842 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: 2 ===================================== Write number: 143 Temperature: 1.300000 Total energy: -30.129692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.129692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.129692 (E_RNA) where: Base-Base interactions energy: -9.854 where: short stacking energy: -9.854 Base-Backbone interact. energy: -0.001 local terms energy: -20.274901 where: bonds (distance) C4'-P energy: -5.037 bonds (distance) P-C4' energy: -4.973 flat angles C4'-P-C4' energy: -5.514 flat angles P-C4'-P energy: -3.656 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: 8 ===================================== Write number: 143 Temperature: 1.350000 Total energy: -34.119319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.119319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.119319 (E_RNA) where: Base-Base interactions energy: -12.062 where: short stacking energy: -12.062 Base-Backbone interact. energy: -0.000 local terms energy: -22.057440 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -5.767 flat angles C4'-P-C4' energy: -4.537 flat angles P-C4'-P energy: -3.007 tors. eta vs tors. theta energy: -2.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 144 Temperature: 0.900000 Total energy: -41.823141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.823141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.823141 (E_RNA) where: Base-Base interactions energy: -17.155 where: short stacking energy: -17.155 Base-Backbone interact. energy: -0.020 local terms energy: -24.648926 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.389 flat angles C4'-P-C4' energy: -5.621 flat angles P-C4'-P energy: -4.184 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: 2, replica: 6 ===================================== Write number: 144 Temperature: 0.950000 Total energy: -35.758666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.758666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.758666 (E_RNA) where: Base-Base interactions energy: -13.949 where: short stacking energy: -13.949 Base-Backbone interact. energy: -0.103 local terms energy: -21.706499 where: bonds (distance) C4'-P energy: -4.098 bonds (distance) P-C4' energy: -5.298 flat angles C4'-P-C4' energy: -4.492 flat angles P-C4'-P energy: -4.503 tors. eta vs tors. theta energy: -3.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 144 Temperature: 1.000000 Total energy: -40.305900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.305900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.305900 (E_RNA) where: Base-Base interactions energy: -15.616 where: short stacking energy: -15.616 Base-Backbone interact. energy: -0.000 local terms energy: -24.689661 where: bonds (distance) C4'-P energy: -4.251 bonds (distance) P-C4' energy: -7.130 flat angles C4'-P-C4' energy: -6.075 flat angles P-C4'-P energy: -3.511 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: 4, replica: 10 ===================================== Write number: 144 Temperature: 1.050000 Total energy: -37.773177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.773177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.773177 (E_RNA) where: Base-Base interactions energy: -14.628 where: short stacking energy: -14.628 Base-Backbone interact. energy: -0.003 local terms energy: -23.142074 where: bonds (distance) C4'-P energy: -4.223 bonds (distance) P-C4' energy: -5.146 flat angles C4'-P-C4' energy: -6.314 flat angles P-C4'-P energy: -5.128 tors. eta vs tors. theta energy: -2.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 144 Temperature: 1.100000 Total energy: -37.946808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.946808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.946808 (E_RNA) where: Base-Base interactions energy: -15.760 where: short stacking energy: -15.760 Base-Backbone interact. energy: -0.000 local terms energy: -22.186333 where: bonds (distance) C4'-P energy: -4.143 bonds (distance) P-C4' energy: -5.864 flat angles C4'-P-C4' energy: -5.417 flat angles P-C4'-P energy: -2.452 tors. eta vs tors. theta energy: -4.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 144 Temperature: 1.150000 Total energy: -33.094605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.094605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.094605 (E_RNA) where: Base-Base interactions energy: -12.480 where: short stacking energy: -12.480 Base-Backbone interact. energy: -0.000 local terms energy: -20.614573 where: bonds (distance) C4'-P energy: -5.348 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -5.479 flat angles P-C4'-P energy: -1.086 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: 4 ===================================== Write number: 144 Temperature: 1.200000 Total energy: -33.910027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.910027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.910027 (E_RNA) where: Base-Base interactions energy: -8.008 where: short stacking energy: -8.008 Base-Backbone interact. energy: -0.000 local terms energy: -25.901791 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.603 flat angles P-C4'-P energy: -4.572 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: 8, replica: 9 ===================================== Write number: 144 Temperature: 1.250000 Total energy: -26.899058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.899058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.899058 (E_RNA) where: Base-Base interactions energy: -5.088 where: short stacking energy: -5.088 Base-Backbone interact. energy: -0.121 local terms energy: -21.689991 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.464 flat angles C4'-P-C4' energy: -6.118 flat angles P-C4'-P energy: -4.303 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: 9, replica: 8 ===================================== Write number: 144 Temperature: 1.300000 Total energy: -28.082164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.082164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.082164 (E_RNA) where: Base-Base interactions energy: -8.645 where: short stacking energy: -8.645 Base-Backbone interact. energy: -0.118 local terms energy: -19.318472 where: bonds (distance) C4'-P energy: -6.044 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -6.029 flat angles P-C4'-P energy: -1.800 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: 10, replica: 2 ===================================== Write number: 144 Temperature: 1.350000 Total energy: -28.495652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.495652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.495652 (E_RNA) where: Base-Base interactions energy: -10.543 where: short stacking energy: -10.543 Base-Backbone interact. energy: -0.053 local terms energy: -17.899706 where: bonds (distance) C4'-P energy: -5.473 bonds (distance) P-C4' energy: -4.039 flat angles C4'-P-C4' energy: -4.793 flat angles P-C4'-P energy: -4.651 tors. eta vs tors. theta energy: 1.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 145 Temperature: 0.900000 Total energy: -40.616719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.616719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.616719 (E_RNA) where: Base-Base interactions energy: -16.330 where: short stacking energy: -16.330 Base-Backbone interact. energy: -0.001 local terms energy: -24.286106 where: bonds (distance) C4'-P energy: -5.402 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -5.391 flat angles P-C4'-P energy: -3.590 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: 2, replica: 7 ===================================== Write number: 145 Temperature: 0.950000 Total energy: -43.719385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.719385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.719385 (E_RNA) where: Base-Base interactions energy: -14.846 where: short stacking energy: -14.846 Base-Backbone interact. energy: -0.000 local terms energy: -28.873072 where: bonds (distance) C4'-P energy: -6.031 bonds (distance) P-C4' energy: -6.181 flat angles C4'-P-C4' energy: -6.060 flat angles P-C4'-P energy: -4.490 tors. eta vs tors. theta energy: -6.112 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: 6 ===================================== Write number: 145 Temperature: 1.000000 Total energy: -41.042866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.042866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.042866 (E_RNA) where: Base-Base interactions energy: -16.884 where: short stacking energy: -16.884 Base-Backbone interact. energy: -0.007 local terms energy: -24.151388 where: bonds (distance) C4'-P energy: -4.408 bonds (distance) P-C4' energy: -6.678 flat angles C4'-P-C4' energy: -5.183 flat angles P-C4'-P energy: -3.890 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: 4, replica: 5 ===================================== Write number: 145 Temperature: 1.050000 Total energy: -38.072183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.072183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.072183 (E_RNA) where: Base-Base interactions energy: -11.540 where: short stacking energy: -11.540 Base-Backbone interact. energy: -0.003 local terms energy: -26.529613 where: bonds (distance) C4'-P energy: -5.199 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -5.955 flat angles P-C4'-P energy: -4.997 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: 5, replica: 10 ===================================== Write number: 145 Temperature: 1.100000 Total energy: -33.750080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.750080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.750080 (E_RNA) where: Base-Base interactions energy: -13.528 where: short stacking energy: -13.528 Base-Backbone interact. energy: -0.032 local terms energy: -20.190136 where: bonds (distance) C4'-P energy: -5.109 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -4.349 flat angles P-C4'-P energy: -3.483 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: 6, replica: 4 ===================================== Write number: 145 Temperature: 1.150000 Total energy: -34.222231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.222231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.222231 (E_RNA) where: Base-Base interactions energy: -11.541 where: short stacking energy: -11.541 Base-Backbone interact. energy: -0.006 local terms energy: -22.675001 where: bonds (distance) C4'-P energy: -4.516 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -5.238 flat angles P-C4'-P energy: -3.873 tors. eta vs tors. theta energy: -2.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 145 Temperature: 1.200000 Total energy: -32.695924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.695924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.695924 (E_RNA) where: Base-Base interactions energy: -7.510 where: short stacking energy: -7.510 Base-Backbone interact. energy: -0.002 local terms energy: -25.183959 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -4.834 flat angles P-C4'-P energy: -4.744 tors. eta vs tors. theta energy: -2.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 145 Temperature: 1.250000 Total energy: -33.132420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.132420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.132420 (E_RNA) where: Base-Base interactions energy: -11.715 where: short stacking energy: -11.715 Base-Backbone interact. energy: -0.021 local terms energy: -21.395575 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -5.604 flat angles C4'-P-C4' energy: -4.928 flat angles P-C4'-P energy: -4.182 tors. eta vs tors. theta energy: -0.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 145 Temperature: 1.300000 Total energy: -28.180736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.180736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.180736 (E_RNA) where: Base-Base interactions energy: -11.671 where: short stacking energy: -11.671 Base-Backbone interact. energy: -0.512 local terms energy: -15.997330 where: bonds (distance) C4'-P energy: -3.751 bonds (distance) P-C4' energy: -2.867 flat angles C4'-P-C4' energy: -5.245 flat angles P-C4'-P energy: -2.630 tors. eta vs tors. theta energy: -1.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 145 Temperature: 1.350000 Total energy: -33.553276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.553276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.553276 (E_RNA) where: Base-Base interactions energy: -10.070 where: short stacking energy: -10.070 Base-Backbone interact. energy: -0.088 local terms energy: -23.395595 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -4.401 flat angles P-C4'-P energy: -2.897 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: 1, replica: 1 ===================================== Write number: 146 Temperature: 0.900000 Total energy: -38.011781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.011781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.011781 (E_RNA) where: Base-Base interactions energy: -12.194 where: short stacking energy: -12.194 Base-Backbone interact. energy: -0.000 local terms energy: -25.817604 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -5.491 flat angles C4'-P-C4' energy: -5.217 flat angles P-C4'-P energy: -3.956 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: 7 ===================================== Write number: 146 Temperature: 0.950000 Total energy: -36.512795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.512795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.512795 (E_RNA) where: Base-Base interactions energy: -11.934 where: short stacking energy: -11.934 Base-Backbone interact. energy: -0.004 local terms energy: -24.574451 where: bonds (distance) C4'-P energy: -5.724 bonds (distance) P-C4' energy: -6.873 flat angles C4'-P-C4' energy: -5.849 flat angles P-C4'-P energy: -4.977 tors. eta vs tors. theta energy: -1.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 146 Temperature: 1.000000 Total energy: -36.580609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.580609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.580609 (E_RNA) where: Base-Base interactions energy: -14.053 where: short stacking energy: -14.053 Base-Backbone interact. energy: -0.000 local terms energy: -22.527618 where: bonds (distance) C4'-P energy: -4.735 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -3.254 flat angles P-C4'-P energy: -3.959 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: 4, replica: 5 ===================================== Write number: 146 Temperature: 1.050000 Total energy: -35.647477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.647477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.647477 (E_RNA) where: Base-Base interactions energy: -15.053 where: short stacking energy: -15.053 Base-Backbone interact. energy: -0.370 local terms energy: -20.224337 where: bonds (distance) C4'-P energy: -3.911 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -5.202 flat angles P-C4'-P energy: -4.263 tors. eta vs tors. theta energy: -0.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 146 Temperature: 1.100000 Total energy: -38.472155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.472155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.472155 (E_RNA) where: Base-Base interactions energy: -17.304 where: short stacking energy: -17.304 Base-Backbone interact. energy: -0.081 local terms energy: -21.087441 where: bonds (distance) C4'-P energy: -4.897 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -5.462 flat angles P-C4'-P energy: -4.062 tors. eta vs tors. theta energy: -1.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 146 Temperature: 1.150000 Total energy: -34.805383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.805383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.805383 (E_RNA) where: Base-Base interactions energy: -11.905 where: short stacking energy: -11.905 Base-Backbone interact. energy: -0.000 local terms energy: -22.900110 where: bonds (distance) C4'-P energy: -3.671 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -6.102 flat angles P-C4'-P energy: -4.297 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: 7, replica: 8 ===================================== Write number: 146 Temperature: 1.200000 Total energy: -35.782444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.782444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.782444 (E_RNA) where: Base-Base interactions energy: -11.475 where: short stacking energy: -11.475 Base-Backbone interact. energy: -0.000 local terms energy: -24.307316 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -5.065 flat angles C4'-P-C4' energy: -5.125 flat angles P-C4'-P energy: -4.700 tors. eta vs tors. theta energy: -3.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 146 Temperature: 1.250000 Total energy: -30.667361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.667361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.667361 (E_RNA) where: Base-Base interactions energy: -11.504 where: short stacking energy: -11.504 Base-Backbone interact. energy: -0.000 local terms energy: -19.163642 where: bonds (distance) C4'-P energy: -3.190 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -4.767 flat angles P-C4'-P energy: -3.612 tors. eta vs tors. theta energy: -0.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 146 Temperature: 1.300000 Total energy: -33.084879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.084879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.084879 (E_RNA) where: Base-Base interactions energy: -7.378 where: short stacking energy: -7.378 Base-Backbone interact. energy: -0.003 local terms energy: -25.704202 where: bonds (distance) C4'-P energy: -3.866 bonds (distance) P-C4' energy: -6.678 flat angles C4'-P-C4' energy: -5.660 flat angles P-C4'-P energy: -5.337 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: 10, replica: 2 ===================================== Write number: 146 Temperature: 1.350000 Total energy: -34.284303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.284303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.284303 (E_RNA) where: Base-Base interactions energy: -11.350 where: short stacking energy: -11.350 Base-Backbone interact. energy: -0.091 local terms energy: -22.843531 where: bonds (distance) C4'-P energy: -4.462 bonds (distance) P-C4' energy: -4.733 flat angles C4'-P-C4' energy: -4.761 flat angles P-C4'-P energy: -4.013 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: 1, replica: 1 ===================================== Write number: 147 Temperature: 0.900000 Total energy: -39.142110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.142110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.142110 (E_RNA) where: Base-Base interactions energy: -12.410 where: short stacking energy: -12.410 Base-Backbone interact. energy: -0.000 local terms energy: -26.731721 where: bonds (distance) C4'-P energy: -5.535 bonds (distance) P-C4' energy: -6.447 flat angles C4'-P-C4' energy: -6.106 flat angles P-C4'-P energy: -4.700 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: 2, replica: 6 ===================================== Write number: 147 Temperature: 0.950000 Total energy: -38.644350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.644350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.644350 (E_RNA) where: Base-Base interactions energy: -14.281 where: short stacking energy: -14.339 Base-Backbone interact. energy: -0.011 local terms energy: -24.351457 where: bonds (distance) C4'-P energy: -5.837 bonds (distance) P-C4' energy: -6.615 flat angles C4'-P-C4' energy: -5.231 flat angles P-C4'-P energy: -4.410 tors. eta vs tors. theta energy: -2.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 147 Temperature: 1.000000 Total energy: -38.058945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.058945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.058945 (E_RNA) where: Base-Base interactions energy: -12.793 where: short stacking energy: -12.793 Base-Backbone interact. energy: -0.000 local terms energy: -25.265317 where: bonds (distance) C4'-P energy: -4.532 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -6.251 flat angles P-C4'-P energy: -2.628 tors. eta vs tors. theta energy: -4.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 147 Temperature: 1.050000 Total energy: -34.702407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.702407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.702407 (E_RNA) where: Base-Base interactions energy: -11.726 where: short stacking energy: -11.726 Base-Backbone interact. energy: -0.005 local terms energy: -22.970806 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -5.791 flat angles P-C4'-P energy: -3.105 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: 5, replica: 5 ===================================== Write number: 147 Temperature: 1.100000 Total energy: -30.913800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.913800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.913800 (E_RNA) where: Base-Base interactions energy: -8.272 where: short stacking energy: -8.272 Base-Backbone interact. energy: -0.019 local terms energy: -22.622933 where: bonds (distance) C4'-P energy: -5.368 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -5.501 flat angles P-C4'-P energy: -4.511 tors. eta vs tors. theta energy: -1.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 147 Temperature: 1.150000 Total energy: -29.120795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.120795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.120795 (E_RNA) where: Base-Base interactions energy: -7.324 where: short stacking energy: -7.324 Base-Backbone interact. energy: -0.020 local terms energy: -21.777160 where: bonds (distance) C4'-P energy: -3.357 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -5.628 flat angles P-C4'-P energy: -3.880 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: 7, replica: 4 ===================================== Write number: 147 Temperature: 1.200000 Total energy: -30.741051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.741051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.741051 (E_RNA) where: Base-Base interactions energy: -10.023 where: short stacking energy: -10.023 Base-Backbone interact. energy: -0.002 local terms energy: -20.715934 where: bonds (distance) C4'-P energy: -4.401 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -4.264 flat angles P-C4'-P energy: -2.576 tors. eta vs tors. theta energy: -2.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 147 Temperature: 1.250000 Total energy: -29.610012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.610012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.610012 (E_RNA) where: Base-Base interactions energy: -8.423 where: short stacking energy: -8.423 Base-Backbone interact. energy: -0.019 local terms energy: -21.168053 where: bonds (distance) C4'-P energy: -4.570 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -3.990 flat angles P-C4'-P energy: -4.662 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: 9, replica: 3 ===================================== Write number: 147 Temperature: 1.300000 Total energy: -32.747753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.747753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.747753 (E_RNA) where: Base-Base interactions energy: -11.169 where: short stacking energy: -11.169 Base-Backbone interact. energy: -0.000 local terms energy: -21.578754 where: bonds (distance) C4'-P energy: -4.624 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -5.983 flat angles P-C4'-P energy: -3.248 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: 2 ===================================== Write number: 147 Temperature: 1.350000 Total energy: -26.281224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.281224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.281224 (E_RNA) where: Base-Base interactions energy: -9.665 where: short stacking energy: -9.665 Base-Backbone interact. energy: -0.189 local terms energy: -16.426782 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -3.582 flat angles C4'-P-C4' energy: -2.175 flat angles P-C4'-P energy: -4.698 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: 6 ===================================== Write number: 148 Temperature: 0.900000 Total energy: -38.104444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.104444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.104444 (E_RNA) where: Base-Base interactions energy: -12.237 where: short stacking energy: -12.237 Base-Backbone interact. energy: -0.048 local terms energy: -25.818996 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -5.131 flat angles C4'-P-C4' energy: -6.732 flat angles P-C4'-P energy: -5.412 tors. eta vs tors. theta energy: -2.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 148 Temperature: 0.950000 Total energy: -36.529186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.529186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.529186 (E_RNA) where: Base-Base interactions energy: -11.658 where: short stacking energy: -11.658 Base-Backbone interact. energy: -0.000 local terms energy: -24.871558 where: bonds (distance) C4'-P energy: -4.959 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -6.489 flat angles P-C4'-P energy: -4.235 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: 3, replica: 10 ===================================== Write number: 148 Temperature: 1.000000 Total energy: -41.066143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.066143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.066143 (E_RNA) where: Base-Base interactions energy: -17.261 where: short stacking energy: -17.261 Base-Backbone interact. energy: -0.092 local terms energy: -23.712487 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -5.597 flat angles C4'-P-C4' energy: -5.320 flat angles P-C4'-P energy: -4.242 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: 4, replica: 7 ===================================== Write number: 148 Temperature: 1.050000 Total energy: -33.632748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.632748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.632748 (E_RNA) where: Base-Base interactions energy: -11.209 where: short stacking energy: -11.209 Base-Backbone interact. energy: -0.000 local terms energy: -22.423490 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -5.843 flat angles C4'-P-C4' energy: -4.013 flat angles P-C4'-P energy: -3.926 tors. eta vs tors. theta energy: -2.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 148 Temperature: 1.100000 Total energy: -33.378068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.378068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.378068 (E_RNA) where: Base-Base interactions energy: -9.962 where: short stacking energy: -9.962 Base-Backbone interact. energy: -0.003 local terms energy: -23.413396 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -5.165 flat angles P-C4'-P energy: -4.859 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: 5 ===================================== Write number: 148 Temperature: 1.150000 Total energy: -32.478441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.478441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.478441 (E_RNA) where: Base-Base interactions energy: -10.144 where: short stacking energy: -10.144 Base-Backbone interact. energy: -0.010 local terms energy: -22.324978 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -4.547 flat angles P-C4'-P energy: -4.378 tors. eta vs tors. theta energy: -2.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 148 Temperature: 1.200000 Total energy: -29.607228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.607228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.607228 (E_RNA) where: Base-Base interactions energy: -10.833 where: short stacking energy: -10.833 Base-Backbone interact. energy: -0.001 local terms energy: -18.772645 where: bonds (distance) C4'-P energy: -4.631 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -2.199 flat angles P-C4'-P energy: -3.454 tors. eta vs tors. theta energy: -1.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 148 Temperature: 1.250000 Total energy: -28.337510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.337510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.337510 (E_RNA) where: Base-Base interactions energy: -4.431 where: short stacking energy: -4.431 Base-Backbone interact. energy: -0.000 local terms energy: -23.905944 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -4.695 flat angles P-C4'-P energy: -4.034 tors. eta vs tors. theta energy: -2.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 148 Temperature: 1.300000 Total energy: -29.546494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.546494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.546494 (E_RNA) where: Base-Base interactions energy: -9.626 where: short stacking energy: -9.626 Base-Backbone interact. energy: -0.000 local terms energy: -19.920071 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -5.534 flat angles C4'-P-C4' energy: -4.586 flat angles P-C4'-P energy: -4.320 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: 10, replica: 3 ===================================== Write number: 148 Temperature: 1.350000 Total energy: -31.966425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.966425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.966425 (E_RNA) where: Base-Base interactions energy: -9.087 where: short stacking energy: -9.087 Base-Backbone interact. energy: -0.000 local terms energy: -22.879599 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.307 flat angles P-C4'-P energy: -2.272 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: 6 ===================================== Write number: 149 Temperature: 0.900000 Total energy: -33.719164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.719164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.719164 (E_RNA) where: Base-Base interactions energy: -10.343 where: short stacking energy: -10.343 Base-Backbone interact. energy: 0.144 local terms energy: -23.519393 where: bonds (distance) C4'-P energy: -4.206 bonds (distance) P-C4' energy: -6.177 flat angles C4'-P-C4' energy: -5.835 flat angles P-C4'-P energy: -4.394 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: 2, replica: 1 ===================================== Write number: 149 Temperature: 0.950000 Total energy: -43.211065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.211065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.211065 (E_RNA) where: Base-Base interactions energy: -16.291 where: short stacking energy: -16.291 Base-Backbone interact. energy: -0.000 local terms energy: -26.920335 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -6.181 flat angles C4'-P-C4' energy: -6.145 flat angles P-C4'-P energy: -4.907 tors. eta vs tors. theta energy: -3.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 149 Temperature: 1.000000 Total energy: -36.662635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.662635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.662635 (E_RNA) where: Base-Base interactions energy: -9.091 where: short stacking energy: -9.091 Base-Backbone interact. energy: -0.096 local terms energy: -27.475700 where: bonds (distance) C4'-P energy: -6.060 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -6.078 flat angles P-C4'-P energy: -4.398 tors. eta vs tors. theta energy: -4.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 149 Temperature: 1.050000 Total energy: -36.225924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.225924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.225924 (E_RNA) where: Base-Base interactions energy: -13.356 where: short stacking energy: -13.356 Base-Backbone interact. energy: -0.011 local terms energy: -22.858860 where: bonds (distance) C4'-P energy: -4.097 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -4.877 flat angles P-C4'-P energy: -3.951 tors. eta vs tors. theta energy: -3.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 149 Temperature: 1.100000 Total energy: -35.569036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.569036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.569036 (E_RNA) where: Base-Base interactions energy: -14.452 where: short stacking energy: -14.821 Base-Backbone interact. energy: -0.000 local terms energy: -21.116755 where: bonds (distance) C4'-P energy: -4.629 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -1.820 flat angles P-C4'-P energy: -3.851 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: 6, replica: 9 ===================================== Write number: 149 Temperature: 1.150000 Total energy: -31.950273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.950273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.950273 (E_RNA) where: Base-Base interactions energy: -10.391 where: short stacking energy: -10.391 Base-Backbone interact. energy: -0.059 local terms energy: -21.499517 where: bonds (distance) C4'-P energy: -2.669 bonds (distance) P-C4' energy: -5.336 flat angles C4'-P-C4' energy: -5.132 flat angles P-C4'-P energy: -4.409 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: 7, replica: 5 ===================================== Write number: 149 Temperature: 1.200000 Total energy: -32.858930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.858930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.858930 (E_RNA) where: Base-Base interactions energy: -10.448 where: short stacking energy: -10.448 Base-Backbone interact. energy: -0.001 local terms energy: -22.410484 where: bonds (distance) C4'-P energy: -5.535 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -4.525 flat angles P-C4'-P energy: -3.393 tors. eta vs tors. theta energy: -2.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 149 Temperature: 1.250000 Total energy: -29.969833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.969833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.969833 (E_RNA) where: Base-Base interactions energy: -7.517 where: short stacking energy: -7.517 Base-Backbone interact. energy: -0.650 local terms energy: -21.802672 where: bonds (distance) C4'-P energy: -4.135 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -5.835 flat angles P-C4'-P energy: -2.868 tors. eta vs tors. theta energy: -2.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 149 Temperature: 1.300000 Total energy: -28.274991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.274991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.274991 (E_RNA) where: Base-Base interactions energy: -8.089 where: short stacking energy: -8.089 Base-Backbone interact. energy: -0.001 local terms energy: -20.184856 where: bonds (distance) C4'-P energy: -4.392 bonds (distance) P-C4' energy: -6.382 flat angles C4'-P-C4' energy: -4.736 flat angles P-C4'-P energy: -2.561 tors. eta vs tors. theta energy: -2.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 149 Temperature: 1.350000 Total energy: -32.858507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.858507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.858507 (E_RNA) where: Base-Base interactions energy: -11.946 where: short stacking energy: -12.041 Base-Backbone interact. energy: -0.009 local terms energy: -20.902954 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -4.111 flat angles P-C4'-P energy: -3.146 tors. eta vs tors. theta energy: -1.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 150 Temperature: 0.900000 Total energy: -40.786486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.786486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.786486 (E_RNA) where: Base-Base interactions energy: -14.051 where: short stacking energy: -14.051 Base-Backbone interact. energy: -0.000 local terms energy: -26.735507 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -4.247 flat angles P-C4'-P energy: -3.543 tors. eta vs tors. theta energy: -7.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 150 Temperature: 0.950000 Total energy: -37.774476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.774476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.774476 (E_RNA) where: Base-Base interactions energy: -13.496 where: short stacking energy: -13.496 Base-Backbone interact. energy: -0.001 local terms energy: -24.277838 where: bonds (distance) C4'-P energy: -4.797 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -6.784 flat angles P-C4'-P energy: -5.279 tors. eta vs tors. theta energy: -1.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 150 Temperature: 1.000000 Total energy: -37.927315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.927315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.927315 (E_RNA) where: Base-Base interactions energy: -13.184 where: short stacking energy: -13.184 Base-Backbone interact. energy: -0.001 local terms energy: -24.741807 where: bonds (distance) C4'-P energy: -6.168 bonds (distance) P-C4' energy: -5.938 flat angles C4'-P-C4' energy: -4.367 flat angles P-C4'-P energy: -3.996 tors. eta vs tors. theta energy: -4.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 150 Temperature: 1.050000 Total energy: -39.496632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.496632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.496632 (E_RNA) where: Base-Base interactions energy: -13.615 where: short stacking energy: -13.615 Base-Backbone interact. energy: -0.009 local terms energy: -25.872093 where: bonds (distance) C4'-P energy: -5.191 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -5.366 flat angles P-C4'-P energy: -4.179 tors. eta vs tors. theta energy: -4.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 150 Temperature: 1.100000 Total energy: -32.394767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.394767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.394767 (E_RNA) where: Base-Base interactions energy: -9.706 where: short stacking energy: -9.706 Base-Backbone interact. energy: -0.007 local terms energy: -22.681671 where: bonds (distance) C4'-P energy: -6.044 bonds (distance) P-C4' energy: -5.941 flat angles C4'-P-C4' energy: -4.987 flat angles P-C4'-P energy: -3.709 tors. eta vs tors. theta energy: -2.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 150 Temperature: 1.150000 Total energy: -32.429977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.429977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.429977 (E_RNA) where: Base-Base interactions energy: -10.633 where: short stacking energy: -10.633 Base-Backbone interact. energy: -0.021 local terms energy: -21.775845 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -6.914 flat angles C4'-P-C4' energy: -3.299 flat angles P-C4'-P energy: -2.531 tors. eta vs tors. theta energy: -2.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 150 Temperature: 1.200000 Total energy: -33.780767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.780767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.780767 (E_RNA) where: Base-Base interactions energy: -12.591 where: short stacking energy: -12.591 Base-Backbone interact. energy: -0.132 local terms energy: -21.057170 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -6.337 flat angles P-C4'-P energy: -3.937 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: 8, replica: 5 ===================================== Write number: 150 Temperature: 1.250000 Total energy: -31.008551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.008551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.008551 (E_RNA) where: Base-Base interactions energy: -7.537 where: short stacking energy: -7.537 Base-Backbone interact. energy: -0.042 local terms energy: -23.429577 where: bonds (distance) C4'-P energy: -2.463 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -5.868 flat angles P-C4'-P energy: -4.994 tors. eta vs tors. theta energy: -3.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 150 Temperature: 1.300000 Total energy: -37.404318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.404318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.404318 (E_RNA) where: Base-Base interactions energy: -14.295 where: short stacking energy: -14.295 Base-Backbone interact. energy: -0.000 local terms energy: -23.108829 where: bonds (distance) C4'-P energy: -5.518 bonds (distance) P-C4' energy: -4.466 flat angles C4'-P-C4' energy: -6.057 flat angles P-C4'-P energy: -2.471 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: 10, replica: 4 ===================================== Write number: 150 Temperature: 1.350000 Total energy: -32.851838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.851838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.851838 (E_RNA) where: Base-Base interactions energy: -13.112 where: short stacking energy: -13.112 Base-Backbone interact. energy: -0.040 local terms energy: -19.700317 where: bonds (distance) C4'-P energy: -5.340 bonds (distance) P-C4' energy: -2.309 flat angles C4'-P-C4' energy: -5.091 flat angles P-C4'-P energy: -5.045 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: 1, replica: 6 ===================================== Write number: 151 Temperature: 0.900000 Total energy: -40.795911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.795911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.795911 (E_RNA) where: Base-Base interactions energy: -16.678 where: short stacking energy: -16.678 Base-Backbone interact. energy: -0.001 local terms energy: -24.117675 where: bonds (distance) C4'-P energy: -4.647 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -6.455 flat angles P-C4'-P energy: -2.690 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: 2, replica: 1 ===================================== Write number: 151 Temperature: 0.950000 Total energy: -38.560073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.560073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.560073 (E_RNA) where: Base-Base interactions energy: -14.441 where: short stacking energy: -14.441 Base-Backbone interact. energy: -0.001 local terms energy: -24.117437 where: bonds (distance) C4'-P energy: -6.023 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -5.333 flat angles P-C4'-P energy: -3.066 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: 8 ===================================== Write number: 151 Temperature: 1.000000 Total energy: -38.010238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.010238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.010238 (E_RNA) where: Base-Base interactions energy: -13.124 where: short stacking energy: -13.124 Base-Backbone interact. energy: -0.000 local terms energy: -24.886378 where: bonds (distance) C4'-P energy: -6.060 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.526 flat angles P-C4'-P energy: -5.145 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: 4, replica: 9 ===================================== Write number: 151 Temperature: 1.050000 Total energy: -38.684151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.684151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.684151 (E_RNA) where: Base-Base interactions energy: -17.191 where: short stacking energy: -18.660 Base-Backbone interact. energy: -0.024 local terms energy: -21.469423 where: bonds (distance) C4'-P energy: -5.617 bonds (distance) P-C4' energy: -2.920 flat angles C4'-P-C4' energy: -6.048 flat angles P-C4'-P energy: -4.032 tors. eta vs tors. theta energy: -2.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 151 Temperature: 1.100000 Total energy: -39.547870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.547870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.547870 (E_RNA) where: Base-Base interactions energy: -13.857 where: short stacking energy: -13.857 Base-Backbone interact. energy: -0.003 local terms energy: -25.687692 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -5.315 flat angles C4'-P-C4' energy: -6.466 flat angles P-C4'-P energy: -4.155 tors. eta vs tors. theta energy: -4.040 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: 2 ===================================== Write number: 151 Temperature: 1.150000 Total energy: -34.194749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.194749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.194749 (E_RNA) where: Base-Base interactions energy: -11.695 where: short stacking energy: -11.695 Base-Backbone interact. energy: -0.000 local terms energy: -22.499728 where: bonds (distance) C4'-P energy: -4.681 bonds (distance) P-C4' energy: -6.442 flat angles C4'-P-C4' energy: -5.094 flat angles P-C4'-P energy: -3.888 tors. eta vs tors. theta energy: -2.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 151 Temperature: 1.200000 Total energy: -36.708978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.708978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.708978 (E_RNA) where: Base-Base interactions energy: -15.454 where: short stacking energy: -15.454 Base-Backbone interact. energy: -0.114 local terms energy: -21.140250 where: bonds (distance) C4'-P energy: -4.690 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -2.971 flat angles P-C4'-P energy: -5.090 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: 8, replica: 3 ===================================== Write number: 151 Temperature: 1.250000 Total energy: -34.769753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.769753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.769753 (E_RNA) where: Base-Base interactions energy: -11.971 where: short stacking energy: -11.971 Base-Backbone interact. energy: -0.002 local terms energy: -22.797170 where: bonds (distance) C4'-P energy: -4.176 bonds (distance) P-C4' energy: -5.889 flat angles C4'-P-C4' energy: -6.312 flat angles P-C4'-P energy: -3.341 tors. eta vs tors. theta energy: -3.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 151 Temperature: 1.300000 Total energy: -27.664909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.664909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.664909 (E_RNA) where: Base-Base interactions energy: -10.368 where: short stacking energy: -10.368 Base-Backbone interact. energy: -0.063 local terms energy: -17.234005 where: bonds (distance) C4'-P energy: -5.047 bonds (distance) P-C4' energy: -4.914 flat angles C4'-P-C4' energy: -4.678 flat angles P-C4'-P energy: -3.583 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: 10, replica: 4 ===================================== Write number: 151 Temperature: 1.350000 Total energy: -27.648272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.648272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.648272 (E_RNA) where: Base-Base interactions energy: -7.606 where: short stacking energy: -7.606 Base-Backbone interact. energy: -0.096 local terms energy: -19.946365 where: bonds (distance) C4'-P energy: -5.357 bonds (distance) P-C4' energy: -6.156 flat angles C4'-P-C4' energy: -3.182 flat angles P-C4'-P energy: -4.572 tors. eta vs tors. theta energy: -0.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 152 Temperature: 0.900000 Total energy: -40.391074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.391074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.391074 (E_RNA) where: Base-Base interactions energy: -14.491 where: short stacking energy: -14.491 Base-Backbone interact. energy: -0.003 local terms energy: -25.896629 where: bonds (distance) C4'-P energy: -5.278 bonds (distance) P-C4' energy: -5.723 flat angles C4'-P-C4' energy: -5.980 flat angles P-C4'-P energy: -4.884 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: 6 ===================================== Write number: 152 Temperature: 0.950000 Total energy: -39.545158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.545158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.545158 (E_RNA) where: Base-Base interactions energy: -14.478 where: short stacking energy: -13.161 Base-Backbone interact. energy: -0.002 local terms energy: -25.064428 where: bonds (distance) C4'-P energy: -4.686 bonds (distance) P-C4' energy: -5.534 flat angles C4'-P-C4' energy: -6.744 flat angles P-C4'-P energy: -5.233 tors. eta vs tors. theta energy: -2.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 152 Temperature: 1.000000 Total energy: -36.574743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.574743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.574743 (E_RNA) where: Base-Base interactions energy: -20.028 where: short stacking energy: -18.153 Base-Backbone interact. energy: -0.061 local terms energy: -16.485672 where: bonds (distance) C4'-P energy: -2.781 bonds (distance) P-C4' energy: -4.677 flat angles C4'-P-C4' energy: -3.247 flat angles P-C4'-P energy: -2.041 tors. eta vs tors. theta energy: -3.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 152 Temperature: 1.050000 Total energy: -35.274898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.274898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.274898 (E_RNA) where: Base-Base interactions energy: -14.392 where: short stacking energy: -14.392 Base-Backbone interact. energy: -0.002 local terms energy: -20.880764 where: bonds (distance) C4'-P energy: -4.206 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.692 flat angles P-C4'-P energy: -1.790 tors. eta vs tors. theta energy: -4.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 152 Temperature: 1.100000 Total energy: -34.752047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.752047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.752047 (E_RNA) where: Base-Base interactions energy: -11.702 where: short stacking energy: -11.702 Base-Backbone interact. energy: -0.063 local terms energy: -22.986870 where: bonds (distance) C4'-P energy: -5.021 bonds (distance) P-C4' energy: -6.432 flat angles C4'-P-C4' energy: -5.220 flat angles P-C4'-P energy: -4.396 tors. eta vs tors. theta energy: -1.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 152 Temperature: 1.150000 Total energy: -33.520484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.520484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.520484 (E_RNA) where: Base-Base interactions energy: -9.379 where: short stacking energy: -9.379 Base-Backbone interact. energy: -0.000 local terms energy: -24.141168 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -5.723 flat angles C4'-P-C4' energy: -5.561 flat angles P-C4'-P energy: -3.063 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: 7, replica: 3 ===================================== Write number: 152 Temperature: 1.200000 Total energy: -32.742939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.742939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.742939 (E_RNA) where: Base-Base interactions energy: -9.742 where: short stacking energy: -9.742 Base-Backbone interact. energy: -0.082 local terms energy: -22.919465 where: bonds (distance) C4'-P energy: -6.060 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -5.764 flat angles P-C4'-P energy: -2.138 tors. eta vs tors. theta energy: -2.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 152 Temperature: 1.250000 Total energy: -36.306839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.306839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.306839 (E_RNA) where: Base-Base interactions energy: -11.392 where: short stacking energy: -11.392 Base-Backbone interact. energy: -0.083 local terms energy: -24.831778 where: bonds (distance) C4'-P energy: -5.315 bonds (distance) P-C4' energy: -5.680 flat angles C4'-P-C4' energy: -5.411 flat angles P-C4'-P energy: -4.467 tors. eta vs tors. theta energy: -3.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 152 Temperature: 1.300000 Total energy: -27.154914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.154914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.154914 (E_RNA) where: Base-Base interactions energy: -5.183 where: short stacking energy: -5.183 Base-Backbone interact. energy: -0.118 local terms energy: -21.853918 where: bonds (distance) C4'-P energy: -5.368 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -4.956 flat angles P-C4'-P energy: -4.092 tors. eta vs tors. theta energy: -0.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 152 Temperature: 1.350000 Total energy: -28.244141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.244141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.244141 (E_RNA) where: Base-Base interactions energy: -9.518 where: short stacking energy: -9.637 Base-Backbone interact. energy: -0.076 local terms energy: -18.650622 where: bonds (distance) C4'-P energy: -5.013 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -4.637 flat angles P-C4'-P energy: -3.894 tors. eta vs tors. theta energy: 1.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 153 Temperature: 0.900000 Total energy: -42.548491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.548491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.548491 (E_RNA) where: Base-Base interactions energy: -17.685 where: short stacking energy: -17.685 Base-Backbone interact. energy: -0.094 local terms energy: -24.769265 where: bonds (distance) C4'-P energy: -4.797 bonds (distance) P-C4' energy: -5.076 flat angles C4'-P-C4' energy: -6.131 flat angles P-C4'-P energy: -4.700 tors. eta vs tors. theta energy: -4.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 153 Temperature: 0.950000 Total energy: -38.172904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.172904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.172904 (E_RNA) where: Base-Base interactions energy: -13.696 where: short stacking energy: -13.696 Base-Backbone interact. energy: -0.000 local terms energy: -24.476872 where: bonds (distance) C4'-P energy: -5.733 bonds (distance) P-C4' energy: -5.336 flat angles C4'-P-C4' energy: -4.878 flat angles P-C4'-P energy: -2.518 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: 3, replica: 6 ===================================== Write number: 153 Temperature: 1.000000 Total energy: -39.977230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.977230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.977230 (E_RNA) where: Base-Base interactions energy: -12.492 where: short stacking energy: -12.492 Base-Backbone interact. energy: -0.005 local terms energy: -27.480692 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.856 flat angles P-C4'-P energy: -4.693 tors. eta vs tors. theta energy: -3.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 153 Temperature: 1.050000 Total energy: -33.959354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.959354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.959354 (E_RNA) where: Base-Base interactions energy: -12.233 where: short stacking energy: -12.233 Base-Backbone interact. energy: -0.022 local terms energy: -21.704533 where: bonds (distance) C4'-P energy: -3.539 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -6.272 flat angles P-C4'-P energy: -3.169 tors. eta vs tors. theta energy: -1.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 153 Temperature: 1.100000 Total energy: -35.292072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.292072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.292072 (E_RNA) where: Base-Base interactions energy: -10.412 where: short stacking energy: -10.412 Base-Backbone interact. energy: -0.009 local terms energy: -24.871244 where: bonds (distance) C4'-P energy: -4.921 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -4.182 flat angles P-C4'-P energy: -4.108 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: 6, replica: 3 ===================================== Write number: 153 Temperature: 1.150000 Total energy: -30.901427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.901427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.901427 (E_RNA) where: Base-Base interactions energy: -8.855 where: short stacking energy: -8.855 Base-Backbone interact. energy: -0.000 local terms energy: -22.045639 where: bonds (distance) C4'-P energy: -5.233 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.298 flat angles P-C4'-P energy: -3.982 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: 7, replica: 10 ===================================== Write number: 153 Temperature: 1.200000 Total energy: -34.701916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.701916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.701916 (E_RNA) where: Base-Base interactions energy: -12.527 where: short stacking energy: -12.527 Base-Backbone interact. energy: -0.001 local terms energy: -22.172984 where: bonds (distance) C4'-P energy: -3.502 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -4.539 flat angles P-C4'-P energy: -2.996 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: 4 ===================================== Write number: 153 Temperature: 1.250000 Total energy: -30.591834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.591834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.591834 (E_RNA) where: Base-Base interactions energy: -9.282 where: short stacking energy: -9.282 Base-Backbone interact. energy: -0.123 local terms energy: -21.186200 where: bonds (distance) C4'-P energy: -6.222 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -2.624 flat angles P-C4'-P energy: -5.410 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: 9, replica: 7 ===================================== Write number: 153 Temperature: 1.300000 Total energy: -36.039828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.039828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.039828 (E_RNA) where: Base-Base interactions energy: -13.311 where: short stacking energy: -13.311 Base-Backbone interact. energy: -0.000 local terms energy: -22.728903 where: bonds (distance) C4'-P energy: -5.233 bonds (distance) P-C4' energy: -5.579 flat angles C4'-P-C4' energy: -5.214 flat angles P-C4'-P energy: -3.214 tors. eta vs tors. theta energy: -3.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 153 Temperature: 1.350000 Total energy: -32.254624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.254624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.254624 (E_RNA) where: Base-Base interactions energy: -5.377 where: short stacking energy: -5.291 Base-Backbone interact. energy: -0.549 local terms energy: -26.328775 where: bonds (distance) C4'-P energy: -5.750 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.894 flat angles P-C4'-P energy: -4.434 tors. eta vs tors. theta energy: -3.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 154 Temperature: 0.900000 Total energy: -42.275571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.275571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.275571 (E_RNA) where: Base-Base interactions energy: -14.676 where: short stacking energy: -14.676 Base-Backbone interact. energy: -0.000 local terms energy: -27.599613 where: bonds (distance) C4'-P energy: -4.959 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -6.258 flat angles P-C4'-P energy: -4.226 tors. eta vs tors. theta energy: -5.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 154 Temperature: 0.950000 Total energy: -39.616496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.616496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.616496 (E_RNA) where: Base-Base interactions energy: -14.461 where: short stacking energy: -14.461 Base-Backbone interact. energy: -0.000 local terms energy: -25.155492 where: bonds (distance) C4'-P energy: -4.106 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -6.005 flat angles P-C4'-P energy: -3.934 tors. eta vs tors. theta energy: -5.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 154 Temperature: 1.000000 Total energy: -38.462555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.462555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.462555 (E_RNA) where: Base-Base interactions energy: -14.580 where: short stacking energy: -15.080 Base-Backbone interact. energy: -1.535 local terms energy: -22.347507 where: bonds (distance) C4'-P energy: -4.027 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -5.667 flat angles P-C4'-P energy: -3.572 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: 4, replica: 6 ===================================== Write number: 154 Temperature: 1.050000 Total energy: -35.874283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.874283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.874283 (E_RNA) where: Base-Base interactions energy: -12.714 where: short stacking energy: -12.714 Base-Backbone interact. energy: -0.000 local terms energy: -23.160358 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -4.317 flat angles P-C4'-P energy: -3.872 tors. eta vs tors. theta energy: -2.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 154 Temperature: 1.100000 Total energy: -27.803159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.803159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.803159 (E_RNA) where: Base-Base interactions energy: -10.202 where: short stacking energy: -10.202 Base-Backbone interact. energy: -0.020 local terms energy: -17.581392 where: bonds (distance) C4'-P energy: -2.723 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -4.246 flat angles P-C4'-P energy: -4.671 tors. eta vs tors. theta energy: 0.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 154 Temperature: 1.150000 Total energy: -38.877059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.877059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.877059 (E_RNA) where: Base-Base interactions energy: -15.327 where: short stacking energy: -15.327 Base-Backbone interact. energy: -0.001 local terms energy: -23.549474 where: bonds (distance) C4'-P energy: -2.508 bonds (distance) P-C4' energy: -5.361 flat angles C4'-P-C4' energy: -6.363 flat angles P-C4'-P energy: -4.873 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: 7, replica: 4 ===================================== Write number: 154 Temperature: 1.200000 Total energy: -35.608257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.608257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.608257 (E_RNA) where: Base-Base interactions energy: -12.136 where: short stacking energy: -12.527 Base-Backbone interact. energy: -0.000 local terms energy: -23.471550 where: bonds (distance) C4'-P energy: -5.013 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -6.201 flat angles P-C4'-P energy: -3.740 tors. eta vs tors. theta energy: -1.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 154 Temperature: 1.250000 Total energy: -31.145072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.145072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.145072 (E_RNA) where: Base-Base interactions energy: -9.414 where: short stacking energy: -9.414 Base-Backbone interact. energy: -0.009 local terms energy: -21.721934 where: bonds (distance) C4'-P energy: -5.163 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -6.025 flat angles P-C4'-P energy: -3.423 tors. eta vs tors. theta energy: -0.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 154 Temperature: 1.300000 Total energy: -31.485240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.485240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.485240 (E_RNA) where: Base-Base interactions energy: -8.700 where: short stacking energy: -8.700 Base-Backbone interact. energy: -0.001 local terms energy: -22.783313 where: bonds (distance) C4'-P energy: -4.453 bonds (distance) P-C4' energy: -5.304 flat angles C4'-P-C4' energy: -5.867 flat angles P-C4'-P energy: -3.206 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: 7 ===================================== Write number: 154 Temperature: 1.350000 Total energy: -31.994557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.994557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.994557 (E_RNA) where: Base-Base interactions energy: -9.452 where: short stacking energy: -9.452 Base-Backbone interact. energy: -0.000 local terms energy: -22.542810 where: bonds (distance) C4'-P energy: -5.348 bonds (distance) P-C4' energy: -5.305 flat angles C4'-P-C4' energy: -5.161 flat angles P-C4'-P energy: -3.349 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: 1, replica: 8 ===================================== Write number: 155 Temperature: 0.900000 Total energy: -42.055164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.055164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.055164 (E_RNA) where: Base-Base interactions energy: -14.137 where: short stacking energy: -14.137 Base-Backbone interact. energy: -0.000 local terms energy: -27.917820 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -6.122 flat angles C4'-P-C4' energy: -5.478 flat angles P-C4'-P energy: -4.375 tors. eta vs tors. theta energy: -5.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 155 Temperature: 0.950000 Total energy: -36.521806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.521806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.521806 (E_RNA) where: Base-Base interactions energy: -12.451 where: short stacking energy: -12.451 Base-Backbone interact. energy: -0.002 local terms energy: -24.068748 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -6.177 flat angles C4'-P-C4' energy: -5.749 flat angles P-C4'-P energy: -4.246 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: 3, replica: 1 ===================================== Write number: 155 Temperature: 1.000000 Total energy: -34.396309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.396309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.396309 (E_RNA) where: Base-Base interactions energy: -10.152 where: short stacking energy: -10.152 Base-Backbone interact. energy: -0.002 local terms energy: -24.242799 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -5.606 flat angles P-C4'-P energy: -5.194 tors. eta vs tors. theta energy: -0.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 155 Temperature: 1.050000 Total energy: -34.009426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.009426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.009426 (E_RNA) where: Base-Base interactions energy: -11.749 where: short stacking energy: -11.749 Base-Backbone interact. energy: -0.019 local terms energy: -22.240966 where: bonds (distance) C4'-P energy: -3.776 bonds (distance) P-C4' energy: -4.395 flat angles C4'-P-C4' energy: -4.732 flat angles P-C4'-P energy: -3.986 tors. eta vs tors. theta energy: -5.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 155 Temperature: 1.100000 Total energy: -34.395126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.395126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.395126 (E_RNA) where: Base-Base interactions energy: -10.390 where: short stacking energy: -10.390 Base-Backbone interact. energy: -0.096 local terms energy: -23.909428 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -4.426 flat angles C4'-P-C4' energy: -5.258 flat angles P-C4'-P energy: -3.253 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: 6, replica: 4 ===================================== Write number: 155 Temperature: 1.150000 Total energy: -34.766205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.766205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.766205 (E_RNA) where: Base-Base interactions energy: -12.001 where: short stacking energy: -12.001 Base-Backbone interact. energy: -0.001 local terms energy: -22.764262 where: bonds (distance) C4'-P energy: -5.278 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -6.465 flat angles P-C4'-P energy: -2.458 tors. eta vs tors. theta energy: -1.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 155 Temperature: 1.200000 Total energy: -34.299389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.299389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.299389 (E_RNA) where: Base-Base interactions energy: -13.572 where: short stacking energy: -13.572 Base-Backbone interact. energy: -0.099 local terms energy: -20.629187 where: bonds (distance) C4'-P energy: -2.910 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -2.823 flat angles P-C4'-P energy: -4.713 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: 5 ===================================== Write number: 155 Temperature: 1.250000 Total energy: -30.151581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.151581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.151581 (E_RNA) where: Base-Base interactions energy: -11.881 where: short stacking energy: -11.881 Base-Backbone interact. energy: -0.005 local terms energy: -18.264959 where: bonds (distance) C4'-P energy: -5.510 bonds (distance) P-C4' energy: -5.336 flat angles C4'-P-C4' energy: -4.657 flat angles P-C4'-P energy: -2.947 tors. eta vs tors. theta energy: 0.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 155 Temperature: 1.300000 Total energy: -28.196954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.196954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.196954 (E_RNA) where: Base-Base interactions energy: -6.655 where: short stacking energy: -8.938 Base-Backbone interact. energy: -0.826 local terms energy: -20.715857 where: bonds (distance) C4'-P energy: -5.199 bonds (distance) P-C4' energy: -4.910 flat angles C4'-P-C4' energy: -4.516 flat angles P-C4'-P energy: -3.990 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: 10, replica: 7 ===================================== Write number: 155 Temperature: 1.350000 Total energy: -31.539189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.539189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.539189 (E_RNA) where: Base-Base interactions energy: -13.012 where: short stacking energy: -13.012 Base-Backbone interact. energy: -0.026 local terms energy: -18.500891 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -4.286 flat angles P-C4'-P energy: -0.438 tors. eta vs tors. theta energy: -2.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 156 Temperature: 0.900000 Total energy: -41.478287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.478287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.478287 (E_RNA) where: Base-Base interactions energy: -17.683 where: short stacking energy: -17.683 Base-Backbone interact. energy: -0.000 local terms energy: -23.795240 where: bonds (distance) C4'-P energy: -4.231 bonds (distance) P-C4' energy: -5.634 flat angles C4'-P-C4' energy: -6.049 flat angles P-C4'-P energy: -5.120 tors. eta vs tors. theta energy: -2.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 156 Temperature: 0.950000 Total energy: -38.647140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.647140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.647140 (E_RNA) where: Base-Base interactions energy: -13.693 where: short stacking energy: -13.693 Base-Backbone interact. energy: -0.000 local terms energy: -24.953777 where: bonds (distance) C4'-P energy: -5.882 bonds (distance) P-C4' energy: -4.617 flat angles C4'-P-C4' energy: -6.063 flat angles P-C4'-P energy: -4.602 tors. eta vs tors. theta energy: -3.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 156 Temperature: 1.000000 Total energy: -38.323081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.323081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.323081 (E_RNA) where: Base-Base interactions energy: -17.443 where: short stacking energy: -13.034 Base-Backbone interact. energy: -0.448 local terms energy: -20.432106 where: bonds (distance) C4'-P energy: -5.659 bonds (distance) P-C4' energy: -3.714 flat angles C4'-P-C4' energy: -5.241 flat angles P-C4'-P energy: -3.992 tors. eta vs tors. theta energy: -1.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 156 Temperature: 1.050000 Total energy: -39.742325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.742325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.742325 (E_RNA) where: Base-Base interactions energy: -17.726 where: short stacking energy: -17.726 Base-Backbone interact. energy: -0.001 local terms energy: -22.015221 where: bonds (distance) C4'-P energy: -2.732 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.771 flat angles P-C4'-P energy: -4.285 tors. eta vs tors. theta energy: -2.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 156 Temperature: 1.100000 Total energy: -35.823473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.823473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.823473 (E_RNA) where: Base-Base interactions energy: -12.547 where: short stacking energy: -12.547 Base-Backbone interact. energy: -0.001 local terms energy: -23.275461 where: bonds (distance) C4'-P energy: -4.611 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -6.418 flat angles P-C4'-P energy: -4.702 tors. eta vs tors. theta energy: -0.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 156 Temperature: 1.150000 Total energy: -35.111780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.111780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.111780 (E_RNA) where: Base-Base interactions energy: -12.150 where: short stacking energy: -12.150 Base-Backbone interact. energy: -0.023 local terms energy: -22.938564 where: bonds (distance) C4'-P energy: -3.738 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -3.782 flat angles P-C4'-P energy: -4.250 tors. eta vs tors. theta energy: -4.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 156 Temperature: 1.200000 Total energy: -30.348374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.348374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.348374 (E_RNA) where: Base-Base interactions energy: -8.976 where: short stacking energy: -8.976 Base-Backbone interact. energy: -0.030 local terms energy: -21.341711 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -5.339 flat angles P-C4'-P energy: -3.676 tors. eta vs tors. theta energy: 0.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 156 Temperature: 1.250000 Total energy: -25.454941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.454941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.454941 (E_RNA) where: Base-Base interactions energy: -9.089 where: short stacking energy: -9.089 Base-Backbone interact. energy: 0.926 local terms energy: -17.291730 where: bonds (distance) C4'-P energy: -3.361 bonds (distance) P-C4' energy: -3.920 flat angles C4'-P-C4' energy: -5.854 flat angles P-C4'-P energy: -4.512 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: 156 Temperature: 1.300000 Total energy: -29.364724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.364724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.364724 (E_RNA) where: Base-Base interactions energy: -9.574 where: short stacking energy: -9.574 Base-Backbone interact. energy: -0.013 local terms energy: -19.777523 where: bonds (distance) C4'-P energy: -4.747 bonds (distance) P-C4' energy: -6.153 flat angles C4'-P-C4' energy: -5.046 flat angles P-C4'-P energy: -2.191 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: 10, replica: 10 ===================================== Write number: 156 Temperature: 1.350000 Total energy: -26.524077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.524077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.524077 (E_RNA) where: Base-Base interactions energy: -5.487 where: short stacking energy: -5.487 Base-Backbone interact. energy: -0.001 local terms energy: -21.036689 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -4.131 flat angles P-C4'-P energy: -5.087 tors. eta vs tors. theta energy: 1.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 157 Temperature: 0.900000 Total energy: -35.764612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.764612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.764612 (E_RNA) where: Base-Base interactions energy: -15.722 where: short stacking energy: -15.722 Base-Backbone interact. energy: -0.001 local terms energy: -20.041243 where: bonds (distance) C4'-P energy: -4.645 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -5.298 flat angles P-C4'-P energy: -4.762 tors. eta vs tors. theta energy: 0.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 157 Temperature: 0.950000 Total energy: -46.329959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.329959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.329959 (E_RNA) where: Base-Base interactions energy: -21.028 where: short stacking energy: -16.957 Base-Backbone interact. energy: -0.003 local terms energy: -25.298931 where: bonds (distance) C4'-P energy: -6.098 bonds (distance) P-C4' energy: -5.861 flat angles C4'-P-C4' energy: -4.319 flat angles P-C4'-P energy: -3.960 tors. eta vs tors. theta energy: -5.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 157 Temperature: 1.000000 Total energy: -34.656122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.656122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.656122 (E_RNA) where: Base-Base interactions energy: -9.163 where: short stacking energy: -9.163 Base-Backbone interact. energy: -0.001 local terms energy: -25.492015 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -3.001 flat angles P-C4'-P energy: -4.761 tors. eta vs tors. theta energy: -5.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 157 Temperature: 1.050000 Total energy: -31.329439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.329439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.329439 (E_RNA) where: Base-Base interactions energy: -8.876 where: short stacking energy: -8.876 Base-Backbone interact. energy: -0.052 local terms energy: -22.401250 where: bonds (distance) C4'-P energy: -6.246 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -4.206 flat angles P-C4'-P energy: -2.929 tors. eta vs tors. theta energy: -2.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 157 Temperature: 1.100000 Total energy: -35.654050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.654050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.654050 (E_RNA) where: Base-Base interactions energy: -14.146 where: short stacking energy: -14.146 Base-Backbone interact. energy: -0.000 local terms energy: -21.507583 where: bonds (distance) C4'-P energy: -4.761 bonds (distance) P-C4' energy: -3.966 flat angles C4'-P-C4' energy: -5.599 flat angles P-C4'-P energy: -2.452 tors. eta vs tors. theta energy: -4.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 157 Temperature: 1.150000 Total energy: -32.258737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.258737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.258737 (E_RNA) where: Base-Base interactions energy: -13.436 where: short stacking energy: -13.436 Base-Backbone interact. energy: -0.040 local terms energy: -18.782638 where: bonds (distance) C4'-P energy: -5.269 bonds (distance) P-C4' energy: -4.988 flat angles C4'-P-C4' energy: -4.196 flat angles P-C4'-P energy: -3.703 tors. eta vs tors. theta energy: -0.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 157 Temperature: 1.200000 Total energy: -33.708682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.708682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.708682 (E_RNA) where: Base-Base interactions energy: -6.987 where: short stacking energy: -6.987 Base-Backbone interact. energy: -0.002 local terms energy: -26.720209 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.235 flat angles P-C4'-P energy: -5.288 tors. eta vs tors. theta energy: -3.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 157 Temperature: 1.250000 Total energy: -34.571805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.571805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.571805 (E_RNA) where: Base-Base interactions energy: -11.350 where: short stacking energy: -11.350 Base-Backbone interact. energy: -0.000 local terms energy: -23.221627 where: bonds (distance) C4'-P energy: -5.368 bonds (distance) P-C4' energy: -5.837 flat angles C4'-P-C4' energy: -3.773 flat angles P-C4'-P energy: -4.844 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: 9, replica: 9 ===================================== Write number: 157 Temperature: 1.300000 Total energy: -29.646428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.646428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.646428 (E_RNA) where: Base-Base interactions energy: -9.701 where: short stacking energy: -9.701 Base-Backbone interact. energy: -0.000 local terms energy: -19.944989 where: bonds (distance) C4'-P energy: -4.773 bonds (distance) P-C4' energy: -5.444 flat angles C4'-P-C4' energy: -5.906 flat angles P-C4'-P energy: -1.750 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: 10, replica: 10 ===================================== Write number: 157 Temperature: 1.350000 Total energy: -33.663560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.663560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.663560 (E_RNA) where: Base-Base interactions energy: -11.194 where: short stacking energy: -11.194 Base-Backbone interact. energy: -0.004 local terms energy: -22.465356 where: bonds (distance) C4'-P energy: -5.013 bonds (distance) P-C4' energy: -4.622 flat angles C4'-P-C4' energy: -4.253 flat angles P-C4'-P energy: -3.673 tors. eta vs tors. theta energy: -4.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 158 Temperature: 0.900000 Total energy: -39.478864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.478864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.478864 (E_RNA) where: Base-Base interactions energy: -12.479 where: short stacking energy: -12.479 Base-Backbone interact. energy: -0.002 local terms energy: -26.998545 where: bonds (distance) C4'-P energy: -5.411 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -6.432 flat angles P-C4'-P energy: -5.010 tors. eta vs tors. theta energy: -3.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 158 Temperature: 0.950000 Total energy: -41.933911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.933911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.933911 (E_RNA) where: Base-Base interactions energy: -17.544 where: short stacking energy: -17.544 Base-Backbone interact. energy: -0.001 local terms energy: -24.388934 where: bonds (distance) C4'-P energy: -4.694 bonds (distance) P-C4' energy: -5.871 flat angles C4'-P-C4' energy: -6.026 flat angles P-C4'-P energy: -2.788 tors. eta vs tors. theta energy: -5.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 158 Temperature: 1.000000 Total energy: -35.143906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.143906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.143906 (E_RNA) where: Base-Base interactions energy: -13.408 where: short stacking energy: -13.408 Base-Backbone interact. energy: -0.061 local terms energy: -21.675106 where: bonds (distance) C4'-P energy: -3.626 bonds (distance) P-C4' energy: -6.460 flat angles C4'-P-C4' energy: -5.725 flat angles P-C4'-P energy: -3.379 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: 4, replica: 2 ===================================== Write number: 158 Temperature: 1.050000 Total energy: -33.239282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.239282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.239282 (E_RNA) where: Base-Base interactions energy: -9.982 where: short stacking energy: -9.982 Base-Backbone interact. energy: -0.009 local terms energy: -23.248273 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -5.415 flat angles P-C4'-P energy: -4.803 tors. eta vs tors. theta energy: -0.693 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: 5 ===================================== Write number: 158 Temperature: 1.100000 Total energy: -32.321307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.321307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.321307 (E_RNA) where: Base-Base interactions energy: -8.069 where: short stacking energy: -8.069 Base-Backbone interact. energy: -0.000 local terms energy: -24.252092 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -6.151 flat angles P-C4'-P energy: -2.825 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: 6, replica: 4 ===================================== Write number: 158 Temperature: 1.150000 Total energy: -28.505492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.505492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.505492 (E_RNA) where: Base-Base interactions energy: -8.981 where: short stacking energy: -8.981 Base-Backbone interact. energy: -0.383 local terms energy: -19.141888 where: bonds (distance) C4'-P energy: -4.967 bonds (distance) P-C4' energy: -5.840 flat angles C4'-P-C4' energy: -4.176 flat angles P-C4'-P energy: -4.133 tors. eta vs tors. theta energy: -0.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 158 Temperature: 1.200000 Total energy: -35.244040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.244040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.244040 (E_RNA) where: Base-Base interactions energy: -13.064 where: short stacking energy: -13.064 Base-Backbone interact. energy: -0.000 local terms energy: -22.180316 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -2.561 flat angles C4'-P-C4' energy: -6.152 flat angles P-C4'-P energy: -2.921 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: 8, replica: 6 ===================================== Write number: 158 Temperature: 1.250000 Total energy: -30.432590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.432590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.432590 (E_RNA) where: Base-Base interactions energy: -8.430 where: short stacking energy: -8.430 Base-Backbone interact. energy: -0.009 local terms energy: -21.993159 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -4.367 flat angles C4'-P-C4' energy: -4.429 flat angles P-C4'-P energy: -5.543 tors. eta vs tors. theta energy: -1.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 158 Temperature: 1.300000 Total energy: -32.638090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.638090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.638090 (E_RNA) where: Base-Base interactions energy: -8.760 where: short stacking energy: -8.760 Base-Backbone interact. energy: -0.000 local terms energy: -23.878409 where: bonds (distance) C4'-P energy: -4.587 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.589 flat angles P-C4'-P energy: -5.648 tors. eta vs tors. theta energy: -1.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 158 Temperature: 1.350000 Total energy: -33.453163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.453163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.453163 (E_RNA) where: Base-Base interactions energy: -10.431 where: short stacking energy: -10.431 Base-Backbone interact. energy: -0.001 local terms energy: -23.021597 where: bonds (distance) C4'-P energy: -3.307 bonds (distance) P-C4' energy: -6.447 flat angles C4'-P-C4' energy: -5.935 flat angles P-C4'-P energy: -4.539 tors. eta vs tors. theta energy: -2.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 159 Temperature: 0.900000 Total energy: -39.209958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.209958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.209958 (E_RNA) where: Base-Base interactions energy: -12.910 where: short stacking energy: -12.910 Base-Backbone interact. energy: -0.872 local terms energy: -25.427609 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -5.601 flat angles P-C4'-P energy: -3.491 tors. eta vs tors. theta energy: -2.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 159 Temperature: 0.950000 Total energy: -38.702300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.702300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.702300 (E_RNA) where: Base-Base interactions energy: -13.928 where: short stacking energy: -13.928 Base-Backbone interact. energy: -0.000 local terms energy: -24.774072 where: bonds (distance) C4'-P energy: -3.974 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -6.235 flat angles P-C4'-P energy: -4.942 tors. eta vs tors. theta energy: -2.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 159 Temperature: 1.000000 Total energy: -40.764587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.764587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.764587 (E_RNA) where: Base-Base interactions energy: -14.160 where: short stacking energy: -14.160 Base-Backbone interact. energy: -0.001 local terms energy: -26.603484 where: bonds (distance) C4'-P energy: -4.516 bonds (distance) P-C4' energy: -6.189 flat angles C4'-P-C4' energy: -6.063 flat angles P-C4'-P energy: -4.414 tors. eta vs tors. theta energy: -5.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 159 Temperature: 1.050000 Total energy: -34.199008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.199008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.199008 (E_RNA) where: Base-Base interactions energy: -11.055 where: short stacking energy: -11.055 Base-Backbone interact. energy: -0.061 local terms energy: -23.083163 where: bonds (distance) C4'-P energy: -6.044 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -4.954 flat angles P-C4'-P energy: -3.531 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: 5, replica: 2 ===================================== Write number: 159 Temperature: 1.100000 Total energy: -38.190589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.190589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.190589 (E_RNA) where: Base-Base interactions energy: -12.667 where: short stacking energy: -12.667 Base-Backbone interact. energy: -0.000 local terms energy: -25.523500 where: bonds (distance) C4'-P energy: -3.361 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -6.396 flat angles P-C4'-P energy: -3.036 tors. eta vs tors. theta energy: -5.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 159 Temperature: 1.150000 Total energy: -36.511238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.511238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.511238 (E_RNA) where: Base-Base interactions energy: -12.708 where: short stacking energy: -12.708 Base-Backbone interact. energy: -0.009 local terms energy: -23.793686 where: bonds (distance) C4'-P energy: -4.471 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -5.844 flat angles P-C4'-P energy: -5.545 tors. eta vs tors. theta energy: -1.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 159 Temperature: 1.200000 Total energy: -30.419242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.419242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.419242 (E_RNA) where: Base-Base interactions energy: -8.415 where: short stacking energy: -8.415 Base-Backbone interact. energy: -0.077 local terms energy: -21.926804 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -5.931 flat angles C4'-P-C4' energy: -5.959 flat angles P-C4'-P energy: -5.024 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: 8, replica: 10 ===================================== Write number: 159 Temperature: 1.250000 Total energy: -32.385674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.385674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.385674 (E_RNA) where: Base-Base interactions energy: -11.113 where: short stacking energy: -11.113 Base-Backbone interact. energy: -0.000 local terms energy: -21.272542 where: bonds (distance) C4'-P energy: -5.277 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -6.466 flat angles P-C4'-P energy: -0.535 tors. eta vs tors. theta energy: -2.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 159 Temperature: 1.300000 Total energy: -28.734085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.734085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.734085 (E_RNA) where: Base-Base interactions energy: -5.268 where: short stacking energy: -5.268 Base-Backbone interact. energy: -0.003 local terms energy: -23.463859 where: bonds (distance) C4'-P energy: -4.363 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -6.543 flat angles P-C4'-P energy: -4.427 tors. eta vs tors. theta energy: -0.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 159 Temperature: 1.350000 Total energy: -31.369557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.369557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.369557 (E_RNA) where: Base-Base interactions energy: -8.149 where: short stacking energy: -8.149 Base-Backbone interact. energy: -0.000 local terms energy: -23.219954 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -5.491 flat angles C4'-P-C4' energy: -6.607 flat angles P-C4'-P energy: -2.889 tors. eta vs tors. theta energy: -2.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 160 Temperature: 0.900000 Total energy: -44.889614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.889614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.889614 (E_RNA) where: Base-Base interactions energy: -16.927 where: short stacking energy: -16.927 Base-Backbone interact. energy: -0.002 local terms energy: -27.960454 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -6.152 flat angles P-C4'-P energy: -4.488 tors. eta vs tors. theta energy: -4.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 160 Temperature: 0.950000 Total energy: -41.385688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.385688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.385688 (E_RNA) where: Base-Base interactions energy: -15.860 where: short stacking energy: -15.860 Base-Backbone interact. energy: -0.000 local terms energy: -25.525786 where: bonds (distance) C4'-P energy: -3.725 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -6.202 flat angles P-C4'-P energy: -3.192 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: 3, replica: 5 ===================================== Write number: 160 Temperature: 1.000000 Total energy: -36.689701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.689701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.689701 (E_RNA) where: Base-Base interactions energy: -14.319 where: short stacking energy: -14.319 Base-Backbone interact. energy: -0.000 local terms energy: -22.370744 where: bonds (distance) C4'-P energy: -4.980 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -3.203 flat angles P-C4'-P energy: -2.998 tors. eta vs tors. theta energy: -4.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 160 Temperature: 1.050000 Total energy: -31.437903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.437903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.437903 (E_RNA) where: Base-Base interactions energy: -8.713 where: short stacking energy: -8.713 Base-Backbone interact. energy: -0.093 local terms energy: -22.631304 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -5.576 flat angles C4'-P-C4' energy: -4.754 flat angles P-C4'-P energy: -3.864 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: 5, replica: 7 ===================================== Write number: 160 Temperature: 1.100000 Total energy: -33.155444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.155444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.155444 (E_RNA) where: Base-Base interactions energy: -11.276 where: short stacking energy: -11.276 Base-Backbone interact. energy: -0.000 local terms energy: -21.879011 where: bonds (distance) C4'-P energy: -5.866 bonds (distance) P-C4' energy: -5.107 flat angles C4'-P-C4' energy: -5.754 flat angles P-C4'-P energy: -1.712 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: 6, replica: 2 ===================================== Write number: 160 Temperature: 1.150000 Total energy: -33.157236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.157236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.157236 (E_RNA) where: Base-Base interactions energy: -9.940 where: short stacking energy: -9.940 Base-Backbone interact. energy: -0.006 local terms energy: -23.211266 where: bonds (distance) C4'-P energy: -3.725 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.926 flat angles P-C4'-P energy: -5.400 tors. eta vs tors. theta energy: -1.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 160 Temperature: 1.200000 Total energy: -34.585856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.585856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.585856 (E_RNA) where: Base-Base interactions energy: -8.951 where: short stacking energy: -8.951 Base-Backbone interact. energy: -1.996 local terms energy: -23.638515 where: bonds (distance) C4'-P energy: -5.191 bonds (distance) P-C4' energy: -4.914 flat angles C4'-P-C4' energy: -5.502 flat angles P-C4'-P energy: -4.768 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: 160 Temperature: 1.250000 Total energy: -34.938628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.938628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.938628 (E_RNA) where: Base-Base interactions energy: -13.757 where: short stacking energy: -13.757 Base-Backbone interact. energy: -0.000 local terms energy: -21.181685 where: bonds (distance) C4'-P energy: -3.651 bonds (distance) P-C4' energy: -5.181 flat angles C4'-P-C4' energy: -6.061 flat angles P-C4'-P energy: -4.087 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: 9, replica: 9 ===================================== Write number: 160 Temperature: 1.300000 Total energy: -28.325499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.325499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.325499 (E_RNA) where: Base-Base interactions energy: -5.670 where: short stacking energy: -5.670 Base-Backbone interact. energy: -0.009 local terms energy: -22.646718 where: bonds (distance) C4'-P energy: -3.957 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -6.200 flat angles P-C4'-P energy: -3.805 tors. eta vs tors. theta energy: -1.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 160 Temperature: 1.350000 Total energy: -30.438625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.438625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.438625 (E_RNA) where: Base-Base interactions energy: -10.761 where: short stacking energy: -10.761 Base-Backbone interact. energy: -0.049 local terms energy: -19.628343 where: bonds (distance) C4'-P energy: -4.523 bonds (distance) P-C4' energy: -3.199 flat angles C4'-P-C4' energy: -6.626 flat angles P-C4'-P energy: -3.959 tors. eta vs tors. theta energy: -1.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 161 Temperature: 0.900000 Total energy: -36.964465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.964465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.964465 (E_RNA) where: Base-Base interactions energy: -13.016 where: short stacking energy: -13.016 Base-Backbone interact. energy: -0.005 local terms energy: -23.943843 where: bonds (distance) C4'-P energy: -6.105 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -5.988 flat angles P-C4'-P energy: -4.161 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: 2, replica: 5 ===================================== Write number: 161 Temperature: 0.950000 Total energy: -41.283223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.283223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.283223 (E_RNA) where: Base-Base interactions energy: -15.943 where: short stacking energy: -15.943 Base-Backbone interact. energy: -0.013 local terms energy: -25.326756 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -0.831 flat angles P-C4'-P energy: -4.074 tors. eta vs tors. theta energy: -7.808 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: 3 ===================================== Write number: 161 Temperature: 1.000000 Total energy: -38.538454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.538454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.538454 (E_RNA) where: Base-Base interactions energy: -14.049 where: short stacking energy: -14.049 Base-Backbone interact. energy: -0.000 local terms energy: -24.489585 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -5.308 flat angles P-C4'-P energy: -4.670 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: 7 ===================================== Write number: 161 Temperature: 1.050000 Total energy: -33.254075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.254075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.254075 (E_RNA) where: Base-Base interactions energy: -8.654 where: short stacking energy: -8.654 Base-Backbone interact. energy: -0.000 local terms energy: -24.600404 where: bonds (distance) C4'-P energy: -4.993 bonds (distance) P-C4' energy: -5.410 flat angles C4'-P-C4' energy: -4.525 flat angles P-C4'-P energy: -4.372 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: 8 ===================================== Write number: 161 Temperature: 1.100000 Total energy: -35.899996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.899996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.899996 (E_RNA) where: Base-Base interactions energy: -13.725 where: short stacking energy: -13.757 Base-Backbone interact. energy: -0.000 local terms energy: -22.175130 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -5.334 flat angles C4'-P-C4' energy: -4.635 flat angles P-C4'-P energy: -2.201 tors. eta vs tors. theta energy: -4.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 161 Temperature: 1.150000 Total energy: -31.362974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.362974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.362974 (E_RNA) where: Base-Base interactions energy: -10.059 where: short stacking energy: -10.059 Base-Backbone interact. energy: -0.006 local terms energy: -21.298491 where: bonds (distance) C4'-P energy: -5.261 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -5.568 flat angles P-C4'-P energy: -3.677 tors. eta vs tors. theta energy: -0.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 161 Temperature: 1.200000 Total energy: -33.674483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.674483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.674483 (E_RNA) where: Base-Base interactions energy: -11.832 where: short stacking energy: -11.832 Base-Backbone interact. energy: -0.034 local terms energy: -21.807633 where: bonds (distance) C4'-P energy: -4.553 bonds (distance) P-C4' energy: -5.361 flat angles C4'-P-C4' energy: -4.339 flat angles P-C4'-P energy: -4.475 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: 9 ===================================== Write number: 161 Temperature: 1.250000 Total energy: -33.611036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.611036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.611036 (E_RNA) where: Base-Base interactions energy: -13.360 where: short stacking energy: -13.360 Base-Backbone interact. energy: -0.003 local terms energy: -20.248524 where: bonds (distance) C4'-P energy: -4.462 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -5.727 flat angles P-C4'-P energy: -3.679 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: 9, replica: 4 ===================================== Write number: 161 Temperature: 1.300000 Total energy: -26.178048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.178048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.178048 (E_RNA) where: Base-Base interactions energy: -6.467 where: short stacking energy: -6.767 Base-Backbone interact. energy: -0.204 local terms energy: -19.506922 where: bonds (distance) C4'-P energy: -2.890 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -4.939 flat angles P-C4'-P energy: -4.646 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: 6 ===================================== Write number: 161 Temperature: 1.350000 Total energy: -32.346700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.346700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.346700 (E_RNA) where: Base-Base interactions energy: -12.617 where: short stacking energy: -12.617 Base-Backbone interact. energy: -0.141 local terms energy: -19.588689 where: bonds (distance) C4'-P energy: -2.980 bonds (distance) P-C4' energy: -5.315 flat angles C4'-P-C4' energy: -4.629 flat angles P-C4'-P energy: -3.706 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: 1, replica: 1 ===================================== Write number: 162 Temperature: 0.900000 Total energy: -45.106777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.106777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.106777 (E_RNA) where: Base-Base interactions energy: -18.621 where: short stacking energy: -18.621 Base-Backbone interact. energy: -0.000 local terms energy: -26.485637 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -4.599 flat angles P-C4'-P energy: -3.691 tors. eta vs tors. theta energy: -5.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 162 Temperature: 0.950000 Total energy: -37.154882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.154882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.154882 (E_RNA) where: Base-Base interactions energy: -14.660 where: short stacking energy: -14.660 Base-Backbone interact. energy: -0.028 local terms energy: -22.467360 where: bonds (distance) C4'-P energy: -2.980 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -6.726 flat angles P-C4'-P energy: -3.882 tors. eta vs tors. theta energy: -2.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 162 Temperature: 1.000000 Total energy: -41.296025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.296025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.296025 (E_RNA) where: Base-Base interactions energy: -13.845 where: short stacking energy: -13.845 Base-Backbone interact. energy: -0.001 local terms energy: -27.450561 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.404 flat angles P-C4'-P energy: -5.118 tors. eta vs tors. theta energy: -5.307 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: 162 Temperature: 1.050000 Total energy: -36.152464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.152464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.152464 (E_RNA) where: Base-Base interactions energy: -12.363 where: short stacking energy: -12.363 Base-Backbone interact. energy: -0.000 local terms energy: -23.789294 where: bonds (distance) C4'-P energy: -4.918 bonds (distance) P-C4' energy: -5.537 flat angles C4'-P-C4' energy: -4.886 flat angles P-C4'-P energy: -5.287 tors. eta vs tors. theta energy: -3.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 162 Temperature: 1.100000 Total energy: -38.778539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.778539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.778539 (E_RNA) where: Base-Base interactions energy: -15.363 where: short stacking energy: -15.363 Base-Backbone interact. energy: -0.000 local terms energy: -23.415743 where: bonds (distance) C4'-P energy: -5.037 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -5.372 flat angles P-C4'-P energy: -2.417 tors. eta vs tors. theta energy: -3.707 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: 8 ===================================== Write number: 162 Temperature: 1.150000 Total energy: -32.722916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.722916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.722916 (E_RNA) where: Base-Base interactions energy: -10.502 where: short stacking energy: -10.502 Base-Backbone interact. energy: -0.030 local terms energy: -22.190478 where: bonds (distance) C4'-P energy: -4.789 bonds (distance) P-C4' energy: -6.653 flat angles C4'-P-C4' energy: -4.479 flat angles P-C4'-P energy: -2.545 tors. eta vs tors. theta energy: -3.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 162 Temperature: 1.200000 Total energy: -34.674648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.674648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.674648 (E_RNA) where: Base-Base interactions energy: -12.292 where: short stacking energy: -12.392 Base-Backbone interact. energy: -0.010 local terms energy: -22.372269 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -5.837 flat angles C4'-P-C4' energy: -5.107 flat angles P-C4'-P energy: -2.346 tors. eta vs tors. theta energy: -3.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 162 Temperature: 1.250000 Total energy: -31.252653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.252653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.252653 (E_RNA) where: Base-Base interactions energy: -12.437 where: short stacking energy: -12.437 Base-Backbone interact. energy: -0.010 local terms energy: -18.805378 where: bonds (distance) C4'-P energy: -3.593 bonds (distance) P-C4' energy: -4.699 flat angles C4'-P-C4' energy: -5.765 flat angles P-C4'-P energy: -4.228 tors. eta vs tors. theta energy: -0.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 162 Temperature: 1.300000 Total energy: -31.843280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.843280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.843280 (E_RNA) where: Base-Base interactions energy: -8.079 where: short stacking energy: -8.079 Base-Backbone interact. energy: -0.000 local terms energy: -23.764352 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -3.287 flat angles C4'-P-C4' energy: -5.923 flat angles P-C4'-P energy: -4.469 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: 4 ===================================== Write number: 162 Temperature: 1.350000 Total energy: -25.150181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.150181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.150181 (E_RNA) where: Base-Base interactions energy: -8.264 where: short stacking energy: -8.264 Base-Backbone interact. energy: -0.000 local terms energy: -16.885464 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -3.632 flat angles P-C4'-P energy: -1.185 tors. eta vs tors. theta energy: 0.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 163 Temperature: 0.900000 Total energy: -39.523050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.523050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.523050 (E_RNA) where: Base-Base interactions energy: -16.083 where: short stacking energy: -16.083 Base-Backbone interact. energy: -0.001 local terms energy: -23.439237 where: bonds (distance) C4'-P energy: -4.107 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -3.715 flat angles P-C4'-P energy: -3.401 tors. eta vs tors. theta energy: -5.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 163 Temperature: 0.950000 Total energy: -32.933512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.933512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.933512 (E_RNA) where: Base-Base interactions energy: -9.680 where: short stacking energy: -9.680 Base-Backbone interact. energy: -0.068 local terms energy: -23.184775 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -6.165 flat angles P-C4'-P energy: -4.864 tors. eta vs tors. theta energy: -0.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 163 Temperature: 1.000000 Total energy: -35.507243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.507243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.507243 (E_RNA) where: Base-Base interactions energy: -11.651 where: short stacking energy: -11.651 Base-Backbone interact. energy: -0.032 local terms energy: -23.824415 where: bonds (distance) C4'-P energy: -5.435 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -5.448 flat angles P-C4'-P energy: -3.806 tors. eta vs tors. theta energy: -3.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 163 Temperature: 1.050000 Total energy: -31.253562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.253562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.253562 (E_RNA) where: Base-Base interactions energy: -10.681 where: short stacking energy: -10.681 Base-Backbone interact. energy: -0.000 local terms energy: -20.571973 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -4.504 flat angles P-C4'-P energy: -3.256 tors. eta vs tors. theta energy: -0.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 163 Temperature: 1.100000 Total energy: -36.428019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.428019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.428019 (E_RNA) where: Base-Base interactions energy: -10.375 where: short stacking energy: -10.375 Base-Backbone interact. energy: -0.000 local terms energy: -26.052887 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -5.528 flat angles P-C4'-P energy: -3.910 tors. eta vs tors. theta energy: -3.367 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: 9 ===================================== Write number: 163 Temperature: 1.150000 Total energy: -33.852566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.852566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.852566 (E_RNA) where: Base-Base interactions energy: -10.310 where: short stacking energy: -10.310 Base-Backbone interact. energy: -0.001 local terms energy: -23.541659 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -4.211 flat angles P-C4'-P energy: -4.580 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: 7, replica: 8 ===================================== Write number: 163 Temperature: 1.200000 Total energy: -32.085690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.085690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.085690 (E_RNA) where: Base-Base interactions energy: -12.939 where: short stacking energy: -12.939 Base-Backbone interact. energy: -0.007 local terms energy: -19.139368 where: bonds (distance) C4'-P energy: -3.087 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -3.194 flat angles P-C4'-P energy: -2.785 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: 8, replica: 6 ===================================== Write number: 163 Temperature: 1.250000 Total energy: -33.258760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.258760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.258760 (E_RNA) where: Base-Base interactions energy: -11.368 where: short stacking energy: -11.368 Base-Backbone interact. energy: -0.052 local terms energy: -21.838824 where: bonds (distance) C4'-P energy: -4.639 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -4.078 flat angles P-C4'-P energy: -4.311 tors. eta vs tors. theta energy: -2.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 163 Temperature: 1.300000 Total energy: -25.377245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.377245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.377245 (E_RNA) where: Base-Base interactions energy: -8.521 where: short stacking energy: -8.521 Base-Backbone interact. energy: -0.003 local terms energy: -16.853032 where: bonds (distance) C4'-P energy: -5.179 bonds (distance) P-C4' energy: -5.767 flat angles C4'-P-C4' energy: -4.828 flat angles P-C4'-P energy: -1.553 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: 4 ===================================== Write number: 163 Temperature: 1.350000 Total energy: -30.336436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.336436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.336436 (E_RNA) where: Base-Base interactions energy: -9.676 where: short stacking energy: -9.676 Base-Backbone interact. energy: -0.000 local terms energy: -20.660471 where: bonds (distance) C4'-P energy: -4.578 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -4.376 flat angles P-C4'-P energy: -2.385 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: 1, replica: 7 ===================================== Write number: 164 Temperature: 0.900000 Total energy: -40.735569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.735569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.735569 (E_RNA) where: Base-Base interactions energy: -15.073 where: short stacking energy: -15.073 Base-Backbone interact. energy: -0.005 local terms energy: -25.658221 where: bonds (distance) C4'-P energy: -3.655 bonds (distance) P-C4' energy: -5.569 flat angles C4'-P-C4' energy: -6.203 flat angles P-C4'-P energy: -4.131 tors. eta vs tors. theta energy: -6.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 164 Temperature: 0.950000 Total energy: -32.691035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.691035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.691035 (E_RNA) where: Base-Base interactions energy: -8.712 where: short stacking energy: -9.612 Base-Backbone interact. energy: -0.127 local terms energy: -23.851877 where: bonds (distance) C4'-P energy: -4.797 bonds (distance) P-C4' energy: -6.202 flat angles C4'-P-C4' energy: -5.101 flat angles P-C4'-P energy: -5.078 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: 3, replica: 10 ===================================== Write number: 164 Temperature: 1.000000 Total energy: -40.589947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.589947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.589947 (E_RNA) where: Base-Base interactions energy: -15.353 where: short stacking energy: -15.353 Base-Backbone interact. energy: 0.203 local terms energy: -25.439782 where: bonds (distance) C4'-P energy: -4.453 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -6.462 flat angles P-C4'-P energy: -4.574 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: 5 ===================================== Write number: 164 Temperature: 1.050000 Total energy: -30.958089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.958089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.958089 (E_RNA) where: Base-Base interactions energy: -8.735 where: short stacking energy: -8.735 Base-Backbone interact. energy: -0.029 local terms energy: -22.194257 where: bonds (distance) C4'-P energy: -4.967 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.921 flat angles P-C4'-P energy: -5.175 tors. eta vs tors. theta energy: 0.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 164 Temperature: 1.100000 Total energy: -36.678819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.678819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.678819 (E_RNA) where: Base-Base interactions energy: -14.181 where: short stacking energy: -14.181 Base-Backbone interact. energy: -0.101 local terms energy: -22.396819 where: bonds (distance) C4'-P energy: -3.229 bonds (distance) P-C4' energy: -5.343 flat angles C4'-P-C4' energy: -4.857 flat angles P-C4'-P energy: -5.315 tors. eta vs tors. theta energy: -3.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 164 Temperature: 1.150000 Total energy: -37.756303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.756303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.756303 (E_RNA) where: Base-Base interactions energy: -11.545 where: short stacking energy: -11.545 Base-Backbone interact. energy: -0.000 local terms energy: -26.211676 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -5.876 flat angles P-C4'-P energy: -4.849 tors. eta vs tors. theta energy: -3.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 164 Temperature: 1.200000 Total energy: -30.822107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.822107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.822107 (E_RNA) where: Base-Base interactions energy: -9.263 where: short stacking energy: -9.263 Base-Backbone interact. energy: -0.051 local terms energy: -21.507541 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -6.678 flat angles C4'-P-C4' energy: -3.287 flat angles P-C4'-P energy: -5.088 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: 8, replica: 8 ===================================== Write number: 164 Temperature: 1.250000 Total energy: -34.049219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.049219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.049219 (E_RNA) where: Base-Base interactions energy: -16.935 where: short stacking energy: -16.935 Base-Backbone interact. energy: -0.004 local terms energy: -17.109854 where: bonds (distance) C4'-P energy: -1.684 bonds (distance) P-C4' energy: -3.495 flat angles C4'-P-C4' energy: -5.279 flat angles P-C4'-P energy: -3.573 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: 4 ===================================== Write number: 164 Temperature: 1.300000 Total energy: -33.627130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.627130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.627130 (E_RNA) where: Base-Base interactions energy: -11.828 where: short stacking energy: -11.828 Base-Backbone interact. energy: -0.002 local terms energy: -21.797202 where: bonds (distance) C4'-P energy: -3.680 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -5.409 flat angles P-C4'-P energy: -4.235 tors. eta vs tors. theta energy: -2.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 164 Temperature: 1.350000 Total energy: -32.769621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.769621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.769621 (E_RNA) where: Base-Base interactions energy: -13.021 where: short stacking energy: -13.066 Base-Backbone interact. energy: -0.090 local terms energy: -19.658362 where: bonds (distance) C4'-P energy: -1.729 bonds (distance) P-C4' energy: -2.993 flat angles C4'-P-C4' energy: -6.225 flat angles P-C4'-P energy: -4.107 tors. eta vs tors. theta energy: -4.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 165 Temperature: 0.900000 Total energy: -39.365478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.365478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.365478 (E_RNA) where: Base-Base interactions energy: -14.504 where: short stacking energy: -14.504 Base-Backbone interact. energy: -0.000 local terms energy: -24.861619 where: bonds (distance) C4'-P energy: -5.473 bonds (distance) P-C4' energy: -6.447 flat angles C4'-P-C4' energy: -3.105 flat angles P-C4'-P energy: -3.834 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: 10 ===================================== Write number: 165 Temperature: 0.950000 Total energy: -35.978565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.978565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.978565 (E_RNA) where: Base-Base interactions energy: -12.418 where: short stacking energy: -12.418 Base-Backbone interact. energy: -0.464 local terms energy: -23.096408 where: bonds (distance) C4'-P energy: -5.580 bonds (distance) P-C4' energy: -5.849 flat angles C4'-P-C4' energy: -6.541 flat angles P-C4'-P energy: -2.843 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: 3, replica: 1 ===================================== Write number: 165 Temperature: 1.000000 Total energy: -36.426659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.426659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.426659 (E_RNA) where: Base-Base interactions energy: -14.630 where: short stacking energy: -14.630 Base-Backbone interact. energy: -0.072 local terms energy: -21.724146 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -4.886 flat angles C4'-P-C4' energy: -4.039 flat angles P-C4'-P energy: -4.009 tors. eta vs tors. theta energy: -2.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 165 Temperature: 1.050000 Total energy: -38.541994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.541994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.541994 (E_RNA) where: Base-Base interactions energy: -16.933 where: short stacking energy: -16.933 Base-Backbone interact. energy: -0.009 local terms energy: -21.599265 where: bonds (distance) C4'-P energy: -5.953 bonds (distance) P-C4' energy: -5.582 flat angles C4'-P-C4' energy: -3.849 flat angles P-C4'-P energy: -2.346 tors. eta vs tors. theta energy: -3.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 165 Temperature: 1.100000 Total energy: -36.985142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.985142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.985142 (E_RNA) where: Base-Base interactions energy: -13.473 where: short stacking energy: -13.473 Base-Backbone interact. energy: -0.001 local terms energy: -23.511295 where: bonds (distance) C4'-P energy: -5.750 bonds (distance) P-C4' energy: -5.537 flat angles C4'-P-C4' energy: -4.480 flat angles P-C4'-P energy: -1.952 tors. eta vs tors. theta energy: -5.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 165 Temperature: 1.150000 Total energy: -37.558566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.558566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.558566 (E_RNA) where: Base-Base interactions energy: -12.087 where: short stacking energy: -13.325 Base-Backbone interact. energy: -0.010 local terms energy: -25.461036 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -4.643 flat angles P-C4'-P energy: -2.958 tors. eta vs tors. theta energy: -4.907 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: 7, replica: 6 ===================================== Write number: 165 Temperature: 1.200000 Total energy: -37.579373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.579373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.579373 (E_RNA) where: Base-Base interactions energy: -13.687 where: short stacking energy: -13.687 Base-Backbone interact. energy: -0.000 local terms energy: -23.891976 where: bonds (distance) C4'-P energy: -4.880 bonds (distance) P-C4' energy: -6.355 flat angles C4'-P-C4' energy: -3.705 flat angles P-C4'-P energy: -4.602 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: 8, replica: 4 ===================================== Write number: 165 Temperature: 1.250000 Total energy: -29.026265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.026265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.026265 (E_RNA) where: Base-Base interactions energy: -11.456 where: short stacking energy: -11.456 Base-Backbone interact. energy: -0.000 local terms energy: -17.570396 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -5.334 flat angles C4'-P-C4' energy: -2.633 flat angles P-C4'-P energy: -2.189 tors. eta vs tors. theta energy: -1.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 165 Temperature: 1.300000 Total energy: -32.785923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.785923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.785923 (E_RNA) where: Base-Base interactions energy: -11.293 where: short stacking energy: -11.293 Base-Backbone interact. energy: -0.000 local terms energy: -21.492817 where: bonds (distance) C4'-P energy: -4.760 bonds (distance) P-C4' energy: -2.743 flat angles C4'-P-C4' energy: -4.101 flat angles P-C4'-P energy: -4.805 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: 10, replica: 2 ===================================== Write number: 165 Temperature: 1.350000 Total energy: -29.120336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.120336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.120336 (E_RNA) where: Base-Base interactions energy: -8.050 where: short stacking energy: -8.050 Base-Backbone interact. energy: -0.077 local terms energy: -20.993735 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -6.189 flat angles C4'-P-C4' energy: -5.286 flat angles P-C4'-P energy: -3.537 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: 7 ===================================== Write number: 166 Temperature: 0.900000 Total energy: -38.228620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.228620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.228620 (E_RNA) where: Base-Base interactions energy: -11.267 where: short stacking energy: -11.267 Base-Backbone interact. energy: -0.000 local terms energy: -26.961103 where: bonds (distance) C4'-P energy: -4.611 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -5.887 flat angles P-C4'-P energy: -3.407 tors. eta vs tors. theta energy: -6.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 166 Temperature: 0.950000 Total energy: -37.698383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.698383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.698383 (E_RNA) where: Base-Base interactions energy: -12.587 where: short stacking energy: -12.587 Base-Backbone interact. energy: -0.000 local terms energy: -25.110912 where: bonds (distance) C4'-P energy: -5.589 bonds (distance) P-C4' energy: -5.730 flat angles C4'-P-C4' energy: -5.144 flat angles P-C4'-P energy: -5.523 tors. eta vs tors. theta energy: -3.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 166 Temperature: 1.000000 Total energy: -38.193607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.193607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.193607 (E_RNA) where: Base-Base interactions energy: -12.896 where: short stacking energy: -12.896 Base-Backbone interact. energy: -0.000 local terms energy: -25.297893 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -4.469 flat angles C4'-P-C4' energy: -4.918 flat angles P-C4'-P energy: -4.013 tors. eta vs tors. theta energy: -5.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 166 Temperature: 1.050000 Total energy: -33.412110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.412110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.412110 (E_RNA) where: Base-Base interactions energy: -10.372 where: short stacking energy: -10.372 Base-Backbone interact. energy: -0.012 local terms energy: -23.027857 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -5.515 flat angles C4'-P-C4' energy: -5.253 flat angles P-C4'-P energy: -4.959 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: 5, replica: 3 ===================================== Write number: 166 Temperature: 1.100000 Total energy: -41.250243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.250243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.250243 (E_RNA) where: Base-Base interactions energy: -14.319 where: short stacking energy: -14.319 Base-Backbone interact. energy: -0.000 local terms energy: -26.930924 where: bonds (distance) C4'-P energy: -5.589 bonds (distance) P-C4' energy: -6.189 flat angles C4'-P-C4' energy: -5.413 flat angles P-C4'-P energy: -5.118 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: 6, replica: 5 ===================================== Write number: 166 Temperature: 1.150000 Total energy: -31.234215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.234215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.234215 (E_RNA) where: Base-Base interactions energy: -9.538 where: short stacking energy: -9.538 Base-Backbone interact. energy: -0.040 local terms energy: -21.656380 where: bonds (distance) C4'-P energy: -4.781 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -5.251 flat angles P-C4'-P energy: -5.160 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: 7, replica: 4 ===================================== Write number: 166 Temperature: 1.200000 Total energy: -32.852003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.852003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.852003 (E_RNA) where: Base-Base interactions energy: -12.104 where: short stacking energy: -12.104 Base-Backbone interact. energy: -0.051 local terms energy: -20.697007 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -5.969 flat angles P-C4'-P energy: -3.670 tors. eta vs tors. theta energy: 0.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 166 Temperature: 1.250000 Total energy: -30.321093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.321093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.321093 (E_RNA) where: Base-Base interactions energy: -8.263 where: short stacking energy: -8.263 Base-Backbone interact. energy: -0.099 local terms energy: -21.959371 where: bonds (distance) C4'-P energy: -5.001 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -3.793 flat angles P-C4'-P energy: -4.475 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: 9, replica: 8 ===================================== Write number: 166 Temperature: 1.300000 Total energy: -34.135177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.135177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.135177 (E_RNA) where: Base-Base interactions energy: -12.618 where: short stacking energy: -12.618 Base-Backbone interact. energy: -0.002 local terms energy: -21.515506 where: bonds (distance) C4'-P energy: -5.696 bonds (distance) P-C4' energy: -5.469 flat angles C4'-P-C4' energy: -5.167 flat angles P-C4'-P energy: -4.206 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: 10, replica: 2 ===================================== Write number: 166 Temperature: 1.350000 Total energy: -27.115381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.115381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.115381 (E_RNA) where: Base-Base interactions energy: -5.101 where: short stacking energy: -5.101 Base-Backbone interact. energy: -0.000 local terms energy: -22.013775 where: bonds (distance) C4'-P energy: -5.029 bonds (distance) P-C4' energy: -4.920 flat angles C4'-P-C4' energy: -4.665 flat angles P-C4'-P energy: -4.060 tors. eta vs tors. theta energy: -3.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 167 Temperature: 0.900000 Total energy: -40.403235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.403235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.403235 (E_RNA) where: Base-Base interactions energy: -15.803 where: short stacking energy: -15.803 Base-Backbone interact. energy: -0.095 local terms energy: -24.505574 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -6.355 flat angles C4'-P-C4' energy: -4.796 flat angles P-C4'-P energy: -2.984 tors. eta vs tors. theta energy: -4.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 167 Temperature: 0.950000 Total energy: -44.336227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.336227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.336227 (E_RNA) where: Base-Base interactions energy: -17.581 where: short stacking energy: -17.581 Base-Backbone interact. energy: -0.048 local terms energy: -26.706334 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -5.435 flat angles C4'-P-C4' energy: -5.779 flat angles P-C4'-P energy: -5.233 tors. eta vs tors. theta energy: -4.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 167 Temperature: 1.000000 Total energy: -34.618682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.618682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.618682 (E_RNA) where: Base-Base interactions energy: -8.942 where: short stacking energy: -8.942 Base-Backbone interact. energy: -0.002 local terms energy: -25.675278 where: bonds (distance) C4'-P energy: -4.755 bonds (distance) P-C4' energy: -7.144 flat angles C4'-P-C4' energy: -5.411 flat angles P-C4'-P energy: -5.469 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: 4, replica: 3 ===================================== Write number: 167 Temperature: 1.050000 Total energy: -34.768931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.768931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.768931 (E_RNA) where: Base-Base interactions energy: -12.446 where: short stacking energy: -12.446 Base-Backbone interact. energy: -0.003 local terms energy: -22.320102 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -3.905 flat angles C4'-P-C4' energy: -6.764 flat angles P-C4'-P energy: -3.632 tors. eta vs tors. theta energy: -2.083 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: 1 ===================================== Write number: 167 Temperature: 1.100000 Total energy: -33.323702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.323702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.323702 (E_RNA) where: Base-Base interactions energy: -8.516 where: short stacking energy: -8.516 Base-Backbone interact. energy: -0.012 local terms energy: -24.795838 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -4.541 flat angles P-C4'-P energy: -5.057 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: 6, replica: 4 ===================================== Write number: 167 Temperature: 1.150000 Total energy: -31.300939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.300939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.300939 (E_RNA) where: Base-Base interactions energy: -11.031 where: short stacking energy: -11.031 Base-Backbone interact. energy: -0.001 local terms energy: -20.268776 where: bonds (distance) C4'-P energy: -6.147 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -4.570 flat angles P-C4'-P energy: -3.762 tors. eta vs tors. theta energy: -0.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 167 Temperature: 1.200000 Total energy: -31.324113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.324113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.324113 (E_RNA) where: Base-Base interactions energy: -7.815 where: short stacking energy: -8.063 Base-Backbone interact. energy: -0.014 local terms energy: -23.495013 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -5.853 flat angles P-C4'-P energy: -4.553 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: 8, replica: 8 ===================================== Write number: 167 Temperature: 1.250000 Total energy: -31.085410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.085410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.085410 (E_RNA) where: Base-Base interactions energy: -12.087 where: short stacking energy: -10.861 Base-Backbone interact. energy: -0.048 local terms energy: -18.950265 where: bonds (distance) C4'-P energy: -4.673 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -5.867 flat angles P-C4'-P energy: -1.482 tors. eta vs tors. theta energy: -0.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 167 Temperature: 1.300000 Total energy: -30.127978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.127978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.127978 (E_RNA) where: Base-Base interactions energy: -9.507 where: short stacking energy: -9.507 Base-Backbone interact. energy: -0.032 local terms energy: -20.588532 where: bonds (distance) C4'-P energy: -4.453 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -5.598 flat angles P-C4'-P energy: -4.568 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: 2 ===================================== Write number: 167 Temperature: 1.350000 Total energy: -29.624694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.624694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.624694 (E_RNA) where: Base-Base interactions energy: -13.346 where: short stacking energy: -13.346 Base-Backbone interact. energy: -0.000 local terms energy: -16.278935 where: bonds (distance) C4'-P energy: -4.123 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -2.801 flat angles P-C4'-P energy: -1.410 tors. eta vs tors. theta energy: -1.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 168 Temperature: 0.900000 Total energy: -44.166990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.166990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.166990 (E_RNA) where: Base-Base interactions energy: -18.605 where: short stacking energy: -18.605 Base-Backbone interact. energy: -1.139 local terms energy: -24.423077 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -5.805 flat angles P-C4'-P energy: -2.957 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: 2, replica: 7 ===================================== Write number: 168 Temperature: 0.950000 Total energy: -40.681445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.681445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.681445 (E_RNA) where: Base-Base interactions energy: -16.586 where: short stacking energy: -16.586 Base-Backbone interact. energy: -0.001 local terms energy: -24.094995 where: bonds (distance) C4'-P energy: -5.179 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -6.470 flat angles P-C4'-P energy: -1.290 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: 3, replica: 3 ===================================== Write number: 168 Temperature: 1.000000 Total energy: -38.102255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.102255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.102255 (E_RNA) where: Base-Base interactions energy: -13.986 where: short stacking energy: -13.986 Base-Backbone interact. energy: -0.001 local terms energy: -24.114655 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -5.150 flat angles C4'-P-C4' energy: -5.692 flat angles P-C4'-P energy: -3.769 tors. eta vs tors. theta energy: -3.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 168 Temperature: 1.050000 Total energy: -33.454897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.454897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.454897 (E_RNA) where: Base-Base interactions energy: -8.721 where: short stacking energy: -8.721 Base-Backbone interact. energy: -0.086 local terms energy: -24.648812 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -5.737 flat angles P-C4'-P energy: -4.685 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: 5, replica: 4 ===================================== Write number: 168 Temperature: 1.100000 Total energy: -35.271812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.271812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.271812 (E_RNA) where: Base-Base interactions energy: -12.799 where: short stacking energy: -12.799 Base-Backbone interact. energy: -0.057 local terms energy: -22.416341 where: bonds (distance) C4'-P energy: -5.750 bonds (distance) P-C4' energy: -4.199 flat angles C4'-P-C4' energy: -2.769 flat angles P-C4'-P energy: -3.971 tors. eta vs tors. theta energy: -5.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 168 Temperature: 1.150000 Total energy: -32.662052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.662052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.662052 (E_RNA) where: Base-Base interactions energy: -8.759 where: short stacking energy: -8.759 Base-Backbone interact. energy: -0.100 local terms energy: -23.803133 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -6.873 flat angles C4'-P-C4' energy: -5.709 flat angles P-C4'-P energy: -3.345 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: 7, replica: 8 ===================================== Write number: 168 Temperature: 1.200000 Total energy: -37.844992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.844992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.844992 (E_RNA) where: Base-Base interactions energy: -12.237 where: short stacking energy: -12.237 Base-Backbone interact. energy: -0.001 local terms energy: -25.607046 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -4.357 flat angles P-C4'-P energy: -3.248 tors. eta vs tors. theta energy: -5.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 168 Temperature: 1.250000 Total energy: -37.507690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.507690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.507690 (E_RNA) where: Base-Base interactions energy: -12.349 where: short stacking energy: -12.349 Base-Backbone interact. energy: -0.000 local terms energy: -25.158997 where: bonds (distance) C4'-P energy: -3.981 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -5.521 flat angles P-C4'-P energy: -3.934 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: 9, replica: 2 ===================================== Write number: 168 Temperature: 1.300000 Total energy: -30.520001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.520001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.520001 (E_RNA) where: Base-Base interactions energy: -11.339 where: short stacking energy: -11.339 Base-Backbone interact. energy: -0.078 local terms energy: -19.103578 where: bonds (distance) C4'-P energy: -5.269 bonds (distance) P-C4' energy: -5.304 flat angles C4'-P-C4' energy: -5.757 flat angles P-C4'-P energy: -0.917 tors. eta vs tors. theta energy: -1.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 168 Temperature: 1.350000 Total energy: -30.491937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.491937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.491937 (E_RNA) where: Base-Base interactions energy: -8.701 where: short stacking energy: -8.701 Base-Backbone interact. energy: -0.004 local terms energy: -21.786956 where: bonds (distance) C4'-P energy: -4.975 bonds (distance) P-C4' energy: -5.600 flat angles C4'-P-C4' energy: -6.102 flat angles P-C4'-P energy: -2.823 tors. eta vs tors. theta energy: -2.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 169 Temperature: 0.900000 Total energy: -40.323386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.323386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.323386 (E_RNA) where: Base-Base interactions energy: -14.595 where: short stacking energy: -14.595 Base-Backbone interact. energy: -0.000 local terms energy: -25.728775 where: bonds (distance) C4'-P energy: -5.775 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -6.202 flat angles P-C4'-P energy: -3.402 tors. eta vs tors. theta energy: -3.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 169 Temperature: 0.950000 Total energy: -37.993548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.993548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.993548 (E_RNA) where: Base-Base interactions energy: -12.714 where: short stacking energy: -12.714 Base-Backbone interact. energy: -0.067 local terms energy: -25.212443 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.653 flat angles C4'-P-C4' energy: -4.095 flat angles P-C4'-P energy: -4.207 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: 3, replica: 7 ===================================== Write number: 169 Temperature: 1.000000 Total energy: -33.335101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.335101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.335101 (E_RNA) where: Base-Base interactions energy: -11.443 where: short stacking energy: -11.443 Base-Backbone interact. energy: -0.074 local terms energy: -21.817509 where: bonds (distance) C4'-P energy: -5.191 bonds (distance) P-C4' energy: -5.705 flat angles C4'-P-C4' energy: -5.784 flat angles P-C4'-P energy: -4.560 tors. eta vs tors. theta energy: -0.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 169 Temperature: 1.050000 Total energy: -33.397162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.397162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.397162 (E_RNA) where: Base-Base interactions energy: -13.542 where: short stacking energy: -13.542 Base-Backbone interact. energy: -0.050 local terms energy: -19.805464 where: bonds (distance) C4'-P energy: -3.655 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -5.867 flat angles P-C4'-P energy: -3.083 tors. eta vs tors. theta energy: -1.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 169 Temperature: 1.100000 Total energy: -38.064959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.064959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.064959 (E_RNA) where: Base-Base interactions energy: -12.577 where: short stacking energy: -12.677 Base-Backbone interact. energy: -0.008 local terms energy: -25.480120 where: bonds (distance) C4'-P energy: -6.586 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -6.059 flat angles P-C4'-P energy: -3.855 tors. eta vs tors. theta energy: -2.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 169 Temperature: 1.150000 Total energy: -33.671283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.671283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.671283 (E_RNA) where: Base-Base interactions energy: -9.917 where: short stacking energy: -9.917 Base-Backbone interact. energy: -0.000 local terms energy: -23.754261 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -3.500 flat angles P-C4'-P energy: -5.401 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: 7, replica: 1 ===================================== Write number: 169 Temperature: 1.200000 Total energy: -34.942140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.942140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.942140 (E_RNA) where: Base-Base interactions energy: -13.022 where: short stacking energy: -13.022 Base-Backbone interact. energy: -0.000 local terms energy: -21.919580 where: bonds (distance) C4'-P energy: -4.570 bonds (distance) P-C4' energy: -5.830 flat angles C4'-P-C4' energy: -6.439 flat angles P-C4'-P energy: -3.772 tors. eta vs tors. theta energy: -1.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 169 Temperature: 1.250000 Total energy: -32.445546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.445546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.445546 (E_RNA) where: Base-Base interactions energy: -11.476 where: short stacking energy: -11.476 Base-Backbone interact. energy: -0.000 local terms energy: -20.969238 where: bonds (distance) C4'-P energy: -5.047 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -5.714 flat angles P-C4'-P energy: -1.853 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: 9, replica: 5 ===================================== Write number: 169 Temperature: 1.300000 Total energy: -29.225971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.225971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.225971 (E_RNA) where: Base-Base interactions energy: -9.418 where: short stacking energy: -9.418 Base-Backbone interact. energy: -0.019 local terms energy: -19.788808 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -4.185 flat angles C4'-P-C4' energy: -5.414 flat angles P-C4'-P energy: -3.973 tors. eta vs tors. theta energy: -0.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 169 Temperature: 1.350000 Total energy: -31.156274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.156274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.156274 (E_RNA) where: Base-Base interactions energy: -7.987 where: short stacking energy: -7.987 Base-Backbone interact. energy: -0.590 local terms energy: -22.578814 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -4.662 flat angles P-C4'-P energy: -3.766 tors. eta vs tors. theta energy: -1.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 170 Temperature: 0.900000 Total energy: -42.172084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.172084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.172084 (E_RNA) where: Base-Base interactions energy: -17.616 where: short stacking energy: -17.616 Base-Backbone interact. energy: -0.035 local terms energy: -24.521490 where: bonds (distance) C4'-P energy: -5.278 bonds (distance) P-C4' energy: -5.839 flat angles C4'-P-C4' energy: -5.162 flat angles P-C4'-P energy: -4.929 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: 2, replica: 9 ===================================== Write number: 170 Temperature: 0.950000 Total energy: -37.356466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.356466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.356466 (E_RNA) where: Base-Base interactions energy: -14.146 where: short stacking energy: -14.146 Base-Backbone interact. energy: -0.000 local terms energy: -23.210220 where: bonds (distance) C4'-P energy: -6.105 bonds (distance) P-C4' energy: -5.515 flat angles C4'-P-C4' energy: -5.433 flat angles P-C4'-P energy: -4.067 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: 7 ===================================== Write number: 170 Temperature: 1.000000 Total energy: -39.698872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.698872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.698872 (E_RNA) where: Base-Base interactions energy: -16.458 where: short stacking energy: -16.458 Base-Backbone interact. energy: -0.000 local terms energy: -23.240429 where: bonds (distance) C4'-P energy: -4.789 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -2.518 flat angles P-C4'-P energy: -2.877 tors. eta vs tors. theta energy: -6.146 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: 4 ===================================== Write number: 170 Temperature: 1.050000 Total energy: -42.006318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.006318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.006318 (E_RNA) where: Base-Base interactions energy: -18.241 where: short stacking energy: -18.241 Base-Backbone interact. energy: -0.013 local terms energy: -23.751995 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -5.395 flat angles C4'-P-C4' energy: -6.010 flat angles P-C4'-P energy: -3.003 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: 5, replica: 8 ===================================== Write number: 170 Temperature: 1.100000 Total energy: -33.415424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.415424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.415424 (E_RNA) where: Base-Base interactions energy: -12.748 where: short stacking energy: -12.748 Base-Backbone interact. energy: -0.084 local terms energy: -20.583059 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.754 flat angles P-C4'-P energy: -2.471 tors. eta vs tors. theta energy: -0.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 170 Temperature: 1.150000 Total energy: -31.650324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.650324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.650324 (E_RNA) where: Base-Base interactions energy: -12.824 where: short stacking energy: -12.824 Base-Backbone interact. energy: -0.013 local terms energy: -18.813367 where: bonds (distance) C4'-P energy: -4.735 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -1.895 flat angles P-C4'-P energy: -3.029 tors. eta vs tors. theta energy: -2.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 170 Temperature: 1.200000 Total energy: -36.844709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.844709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.844709 (E_RNA) where: Base-Base interactions energy: -12.021 where: short stacking energy: -12.021 Base-Backbone interact. energy: -0.018 local terms energy: -24.806185 where: bonds (distance) C4'-P energy: -3.273 bonds (distance) P-C4' energy: -6.886 flat angles C4'-P-C4' energy: -6.200 flat angles P-C4'-P energy: -4.705 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: 8, replica: 1 ===================================== Write number: 170 Temperature: 1.250000 Total energy: -30.435530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.435530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.435530 (E_RNA) where: Base-Base interactions energy: -6.033 where: short stacking energy: -6.033 Base-Backbone interact. energy: -0.002 local terms energy: -24.400776 where: bonds (distance) C4'-P energy: -4.673 bonds (distance) P-C4' energy: -5.833 flat angles C4'-P-C4' energy: -6.639 flat angles P-C4'-P energy: -2.851 tors. eta vs tors. theta energy: -4.404 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: 6 ===================================== Write number: 170 Temperature: 1.300000 Total energy: -34.303316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.303316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.303316 (E_RNA) where: Base-Base interactions energy: -11.482 where: short stacking energy: -11.482 Base-Backbone interact. energy: -0.006 local terms energy: -22.815518 where: bonds (distance) C4'-P energy: -5.402 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -4.899 flat angles P-C4'-P energy: -4.472 tors. eta vs tors. theta energy: -1.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 170 Temperature: 1.350000 Total energy: -29.862782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.862782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.862782 (E_RNA) where: Base-Base interactions energy: -8.427 where: short stacking energy: -8.427 Base-Backbone interact. energy: -0.000 local terms energy: -21.436182 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.177 flat angles C4'-P-C4' energy: -4.716 flat angles P-C4'-P energy: -3.155 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: 3 ===================================== Write number: 171 Temperature: 0.900000 Total energy: -45.405916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.405916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.405916 (E_RNA) where: Base-Base interactions energy: -19.584 where: short stacking energy: -19.584 Base-Backbone interact. energy: -0.000 local terms energy: -25.821678 where: bonds (distance) C4'-P energy: -4.735 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -5.880 flat angles P-C4'-P energy: -4.786 tors. eta vs tors. theta energy: -4.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 171 Temperature: 0.950000 Total energy: -37.536727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.536727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.536727 (E_RNA) where: Base-Base interactions energy: -17.493 where: short stacking energy: -17.493 Base-Backbone interact. energy: -0.025 local terms energy: -20.018392 where: bonds (distance) C4'-P energy: -3.812 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -2.603 flat angles P-C4'-P energy: -4.096 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: 3, replica: 9 ===================================== Write number: 171 Temperature: 1.000000 Total energy: -42.616433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.616433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.616433 (E_RNA) where: Base-Base interactions energy: -15.893 where: short stacking energy: -15.893 Base-Backbone interact. energy: -0.000 local terms energy: -26.723178 where: bonds (distance) C4'-P energy: -4.781 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -6.391 flat angles P-C4'-P energy: -5.167 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: 4, replica: 8 ===================================== Write number: 171 Temperature: 1.050000 Total energy: -36.891996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.891996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.891996 (E_RNA) where: Base-Base interactions energy: -15.600 where: short stacking energy: -15.600 Base-Backbone interact. energy: -0.006 local terms energy: -21.286076 where: bonds (distance) C4'-P energy: -5.783 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -4.861 flat angles P-C4'-P energy: -2.104 tors. eta vs tors. theta energy: -2.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 171 Temperature: 1.100000 Total energy: -33.646320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.646320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.646320 (E_RNA) where: Base-Base interactions energy: -8.401 where: short stacking energy: -8.401 Base-Backbone interact. energy: -0.004 local terms energy: -25.241195 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -6.007 flat angles P-C4'-P energy: -4.514 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: 6, replica: 10 ===================================== Write number: 171 Temperature: 1.150000 Total energy: -28.704828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.704828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.704828 (E_RNA) where: Base-Base interactions energy: -10.207 where: short stacking energy: -10.207 Base-Backbone interact. energy: -0.044 local terms energy: -18.454100 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -4.205 flat angles C4'-P-C4' energy: -5.785 flat angles P-C4'-P energy: -2.523 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: 7, replica: 2 ===================================== Write number: 171 Temperature: 1.200000 Total energy: -30.416555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.416555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.416555 (E_RNA) where: Base-Base interactions energy: -9.616 where: short stacking energy: -9.616 Base-Backbone interact. energy: -0.004 local terms energy: -20.796961 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -6.886 flat angles C4'-P-C4' energy: -4.093 flat angles P-C4'-P energy: -2.402 tors. eta vs tors. theta energy: -1.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 171 Temperature: 1.250000 Total energy: -29.689663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.689663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.689663 (E_RNA) where: Base-Base interactions energy: -8.419 where: short stacking energy: -8.419 Base-Backbone interact. energy: -0.020 local terms energy: -21.250391 where: bonds (distance) C4'-P energy: -5.368 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -4.748 flat angles P-C4'-P energy: -3.260 tors. eta vs tors. theta energy: -0.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 171 Temperature: 1.300000 Total energy: -28.746855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.746855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.746855 (E_RNA) where: Base-Base interactions energy: -8.800 where: short stacking energy: -8.800 Base-Backbone interact. energy: -0.076 local terms energy: -19.871199 where: bonds (distance) C4'-P energy: -4.913 bonds (distance) P-C4' energy: -6.622 flat angles C4'-P-C4' energy: -6.470 flat angles P-C4'-P energy: -1.140 tors. eta vs tors. theta energy: -0.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 171 Temperature: 1.350000 Total energy: -32.555243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.555243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.555243 (E_RNA) where: Base-Base interactions energy: -11.340 where: short stacking energy: -11.340 Base-Backbone interact. energy: -0.080 local terms energy: -21.135402 where: bonds (distance) C4'-P energy: -4.864 bonds (distance) P-C4' energy: -4.466 flat angles C4'-P-C4' energy: -4.742 flat angles P-C4'-P energy: -5.003 tors. eta vs tors. theta energy: -2.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 172 Temperature: 0.900000 Total energy: -43.694503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.694503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.694503 (E_RNA) where: Base-Base interactions energy: -19.042 where: short stacking energy: -19.042 Base-Backbone interact. energy: -0.000 local terms energy: -24.652152 where: bonds (distance) C4'-P energy: -4.743 bonds (distance) P-C4' energy: -5.368 flat angles C4'-P-C4' energy: -6.025 flat angles P-C4'-P energy: -4.108 tors. eta vs tors. theta energy: -4.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 172 Temperature: 0.950000 Total energy: -33.568558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.568558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.568558 (E_RNA) where: Base-Base interactions energy: -11.112 where: short stacking energy: -10.160 Base-Backbone interact. energy: -0.001 local terms energy: -22.455651 where: bonds (distance) C4'-P energy: -3.734 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -6.523 flat angles P-C4'-P energy: -5.233 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: 3, replica: 8 ===================================== Write number: 172 Temperature: 1.000000 Total energy: -37.088827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.088827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.088827 (E_RNA) where: Base-Base interactions energy: -12.479 where: short stacking energy: -12.479 Base-Backbone interact. energy: -0.000 local terms energy: -24.609830 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -5.708 flat angles C4'-P-C4' energy: -5.354 flat angles P-C4'-P energy: -4.786 tors. eta vs tors. theta energy: -3.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 172 Temperature: 1.050000 Total energy: -37.361094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.361094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.361094 (E_RNA) where: Base-Base interactions energy: -16.360 where: short stacking energy: -16.360 Base-Backbone interact. energy: -0.000 local terms energy: -21.001123 where: bonds (distance) C4'-P energy: -5.348 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -4.610 flat angles P-C4'-P energy: -1.550 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: 5, replica: 10 ===================================== Write number: 172 Temperature: 1.100000 Total energy: -35.040918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.040918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.040918 (E_RNA) where: Base-Base interactions energy: -12.327 where: short stacking energy: -12.327 Base-Backbone interact. energy: -0.001 local terms energy: -22.712941 where: bonds (distance) C4'-P energy: -4.781 bonds (distance) P-C4' energy: -5.871 flat angles C4'-P-C4' energy: -5.315 flat angles P-C4'-P energy: -4.381 tors. eta vs tors. theta energy: -2.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 172 Temperature: 1.150000 Total energy: -39.537657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.537657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.537657 (E_RNA) where: Base-Base interactions energy: -10.727 where: short stacking energy: -10.727 Base-Backbone interact. energy: -0.000 local terms energy: -28.810680 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -6.292 flat angles P-C4'-P energy: -4.252 tors. eta vs tors. theta energy: -6.036 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: 7, replica: 1 ===================================== Write number: 172 Temperature: 1.200000 Total energy: -33.148490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.148490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.148490 (E_RNA) where: Base-Base interactions energy: -12.750 where: short stacking energy: -12.750 Base-Backbone interact. energy: -0.020 local terms energy: -20.379067 where: bonds (distance) C4'-P energy: -5.882 bonds (distance) P-C4' energy: -6.203 flat angles C4'-P-C4' energy: -2.434 flat angles P-C4'-P energy: -3.878 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: 8, replica: 2 ===================================== Write number: 172 Temperature: 1.250000 Total energy: -27.746376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.746376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.746376 (E_RNA) where: Base-Base interactions energy: -8.314 where: short stacking energy: -8.314 Base-Backbone interact. energy: -0.004 local terms energy: -19.428391 where: bonds (distance) C4'-P energy: -4.639 bonds (distance) P-C4' energy: -6.457 flat angles C4'-P-C4' energy: -3.828 flat angles P-C4'-P energy: -3.545 tors. eta vs tors. theta energy: -0.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 172 Temperature: 1.300000 Total energy: -36.390187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.390187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.390187 (E_RNA) where: Base-Base interactions energy: -15.934 where: short stacking energy: -15.934 Base-Backbone interact. energy: -0.173 local terms energy: -20.282361 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -6.447 flat angles C4'-P-C4' energy: -4.168 flat angles P-C4'-P energy: -2.293 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: 6 ===================================== Write number: 172 Temperature: 1.350000 Total energy: -29.133037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.133037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.133037 (E_RNA) where: Base-Base interactions energy: -9.856 where: short stacking energy: -10.156 Base-Backbone interact. energy: 0.822 local terms energy: -20.098622 where: bonds (distance) C4'-P energy: -4.143 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -5.173 flat angles P-C4'-P energy: -3.689 tors. eta vs tors. theta energy: 0.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 173 Temperature: 0.900000 Total energy: -38.165675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.165675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.165675 (E_RNA) where: Base-Base interactions energy: -11.533 where: short stacking energy: -11.533 Base-Backbone interact. energy: -0.002 local terms energy: -26.630396 where: bonds (distance) C4'-P energy: -5.340 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -6.543 flat angles P-C4'-P energy: -4.070 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: 2, replica: 8 ===================================== Write number: 173 Temperature: 0.950000 Total energy: -39.978909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.978909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.978909 (E_RNA) where: Base-Base interactions energy: -12.610 where: short stacking energy: -12.610 Base-Backbone interact. energy: -0.011 local terms energy: -27.358266 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -6.873 flat angles C4'-P-C4' energy: -5.263 flat angles P-C4'-P energy: -5.106 tors. eta vs tors. theta energy: -3.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 173 Temperature: 1.000000 Total energy: -43.780912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.780912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.780912 (E_RNA) where: Base-Base interactions energy: -17.208 where: short stacking energy: -17.208 Base-Backbone interact. energy: -0.000 local terms energy: -26.573244 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -5.921 flat angles P-C4'-P energy: -2.966 tors. eta vs tors. theta energy: -6.411 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: 4, replica: 10 ===================================== Write number: 173 Temperature: 1.050000 Total energy: -36.821427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.821427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.821427 (E_RNA) where: Base-Base interactions energy: -11.847 where: short stacking energy: -11.847 Base-Backbone interact. energy: -0.036 local terms energy: -24.938742 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -5.325 flat angles P-C4'-P energy: -4.177 tors. eta vs tors. theta energy: -2.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 173 Temperature: 1.100000 Total energy: -35.220267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.220267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.220267 (E_RNA) where: Base-Base interactions energy: -11.036 where: short stacking energy: -11.036 Base-Backbone interact. energy: -0.053 local terms energy: -24.130777 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -3.151 flat angles P-C4'-P energy: -3.879 tors. eta vs tors. theta energy: -4.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 173 Temperature: 1.150000 Total energy: -32.216449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.216449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.216449 (E_RNA) where: Base-Base interactions energy: -11.362 where: short stacking energy: -11.362 Base-Backbone interact. energy: -0.002 local terms energy: -20.853082 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -4.778 flat angles P-C4'-P energy: -2.196 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: 7, replica: 4 ===================================== Write number: 173 Temperature: 1.200000 Total energy: -36.493618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.493618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.493618 (E_RNA) where: Base-Base interactions energy: -13.688 where: short stacking energy: -13.688 Base-Backbone interact. energy: -0.002 local terms energy: -22.803541 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -5.077 flat angles P-C4'-P energy: -3.064 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: 8, replica: 5 ===================================== Write number: 173 Temperature: 1.250000 Total energy: -33.800290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.800290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.800290 (E_RNA) where: Base-Base interactions energy: -13.570 where: short stacking energy: -13.570 Base-Backbone interact. energy: -0.008 local terms energy: -20.222460 where: bonds (distance) C4'-P energy: -5.269 bonds (distance) P-C4' energy: -5.534 flat angles C4'-P-C4' energy: -5.816 flat angles P-C4'-P energy: -3.290 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: 9, replica: 2 ===================================== Write number: 173 Temperature: 1.300000 Total energy: -30.908234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.908234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.908234 (E_RNA) where: Base-Base interactions energy: -8.494 where: short stacking energy: -8.494 Base-Backbone interact. energy: -0.000 local terms energy: -22.414033 where: bonds (distance) C4'-P energy: -4.781 bonds (distance) P-C4' energy: -6.177 flat angles C4'-P-C4' energy: -5.417 flat angles P-C4'-P energy: -4.414 tors. eta vs tors. theta energy: -1.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 173 Temperature: 1.350000 Total energy: -27.241871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.241871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.241871 (E_RNA) where: Base-Base interactions energy: -4.720 where: short stacking energy: -4.720 Base-Backbone interact. energy: -0.093 local terms energy: -22.428882 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -6.097 flat angles C4'-P-C4' energy: -4.369 flat angles P-C4'-P energy: -3.548 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: 8 ===================================== Write number: 174 Temperature: 0.900000 Total energy: -45.226992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.226992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.226992 (E_RNA) where: Base-Base interactions energy: -16.980 where: short stacking energy: -16.980 Base-Backbone interact. energy: -0.000 local terms energy: -28.246957 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -6.615 flat angles C4'-P-C4' energy: -5.304 flat angles P-C4'-P energy: -4.321 tors. eta vs tors. theta energy: -5.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 174 Temperature: 0.950000 Total energy: -37.954943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.954943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.954943 (E_RNA) where: Base-Base interactions energy: -13.492 where: short stacking energy: -13.492 Base-Backbone interact. energy: -0.012 local terms energy: -24.450889 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -6.615 flat angles C4'-P-C4' energy: -6.274 flat angles P-C4'-P energy: -2.897 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: 3, replica: 10 ===================================== Write number: 174 Temperature: 1.000000 Total energy: -33.004512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.004512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.004512 (E_RNA) where: Base-Base interactions energy: -13.139 where: short stacking energy: -13.139 Base-Backbone interact. energy: -0.002 local terms energy: -19.863413 where: bonds (distance) C4'-P energy: -1.978 bonds (distance) P-C4' energy: -5.255 flat angles C4'-P-C4' energy: -5.583 flat angles P-C4'-P energy: -4.656 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: 4, replica: 3 ===================================== Write number: 174 Temperature: 1.050000 Total energy: -37.269448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.269448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.269448 (E_RNA) where: Base-Base interactions energy: -13.595 where: short stacking energy: -13.595 Base-Backbone interact. energy: 0.690 local terms energy: -24.365068 where: bonds (distance) C4'-P energy: -6.462 bonds (distance) P-C4' energy: -6.355 flat angles C4'-P-C4' energy: -5.400 flat angles P-C4'-P energy: -2.994 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: 5, replica: 1 ===================================== Write number: 174 Temperature: 1.100000 Total energy: -32.349976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.349976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.349976 (E_RNA) where: Base-Base interactions energy: -10.034 where: short stacking energy: -10.034 Base-Backbone interact. energy: -0.079 local terms energy: -22.236753 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -5.153 flat angles C4'-P-C4' energy: -6.168 flat angles P-C4'-P energy: -3.718 tors. eta vs tors. theta energy: -1.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 174 Temperature: 1.150000 Total energy: -35.442132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.442132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.442132 (E_RNA) where: Base-Base interactions energy: -10.709 where: short stacking energy: -10.709 Base-Backbone interact. energy: -0.000 local terms energy: -24.732785 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -4.175 flat angles P-C4'-P energy: -4.467 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: 5 ===================================== Write number: 174 Temperature: 1.200000 Total energy: -35.317043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.317043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.317043 (E_RNA) where: Base-Base interactions energy: -10.466 where: short stacking energy: -10.466 Base-Backbone interact. energy: -0.000 local terms energy: -24.851151 where: bonds (distance) C4'-P energy: -6.354 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -5.973 flat angles P-C4'-P energy: -0.834 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: 8, replica: 4 ===================================== Write number: 174 Temperature: 1.250000 Total energy: -30.536906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.536906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.536906 (E_RNA) where: Base-Base interactions energy: -7.942 where: short stacking energy: -7.942 Base-Backbone interact. energy: -0.005 local terms energy: -22.590074 where: bonds (distance) C4'-P energy: -4.967 bonds (distance) P-C4' energy: -5.833 flat angles C4'-P-C4' energy: -4.967 flat angles P-C4'-P energy: -4.441 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: 9, replica: 2 ===================================== Write number: 174 Temperature: 1.300000 Total energy: -30.467103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.467103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.467103 (E_RNA) where: Base-Base interactions energy: -9.667 where: short stacking energy: -9.667 Base-Backbone interact. energy: -0.095 local terms energy: -20.704917 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -4.396 flat angles P-C4'-P energy: -3.459 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: 10, replica: 6 ===================================== Write number: 174 Temperature: 1.350000 Total energy: -29.527229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.527229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.527229 (E_RNA) where: Base-Base interactions energy: -10.523 where: short stacking energy: -10.523 Base-Backbone interact. energy: -0.014 local terms energy: -18.990398 where: bonds (distance) C4'-P energy: -5.368 bonds (distance) P-C4' energy: -5.083 flat angles C4'-P-C4' energy: -5.724 flat angles P-C4'-P energy: -1.132 tors. eta vs tors. theta energy: -1.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 175 Temperature: 0.900000 Total energy: -39.709603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.709603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.709603 (E_RNA) where: Base-Base interactions energy: -17.262 where: short stacking energy: -17.262 Base-Backbone interact. energy: -0.000 local terms energy: -22.447605 where: bonds (distance) C4'-P energy: -4.619 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -5.631 flat angles P-C4'-P energy: -3.719 tors. eta vs tors. theta energy: -2.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 175 Temperature: 0.950000 Total energy: -36.578920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.578920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.578920 (E_RNA) where: Base-Base interactions energy: -13.195 where: short stacking energy: -13.195 Base-Backbone interact. energy: -0.000 local terms energy: -23.383875 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.128 flat angles C4'-P-C4' energy: -4.587 flat angles P-C4'-P energy: -4.221 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: 3, replica: 7 ===================================== Write number: 175 Temperature: 1.000000 Total energy: -39.641677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.641677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.641677 (E_RNA) where: Base-Base interactions energy: -14.587 where: short stacking energy: -14.587 Base-Backbone interact. energy: -0.028 local terms energy: -25.026985 where: bonds (distance) C4'-P energy: -4.872 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -6.356 flat angles P-C4'-P energy: -3.855 tors. eta vs tors. theta energy: -3.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 175 Temperature: 1.050000 Total energy: -34.027808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.027808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.027808 (E_RNA) where: Base-Base interactions energy: -11.170 where: short stacking energy: -11.170 Base-Backbone interact. energy: -0.003 local terms energy: -22.854704 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.880 flat angles P-C4'-P energy: -2.966 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: 5, replica: 3 ===================================== Write number: 175 Temperature: 1.100000 Total energy: -34.698437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.698437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.698437 (E_RNA) where: Base-Base interactions energy: -11.441 where: short stacking energy: -11.441 Base-Backbone interact. energy: -0.095 local terms energy: -23.162353 where: bonds (distance) C4'-P energy: -5.535 bonds (distance) P-C4' energy: -6.628 flat angles C4'-P-C4' energy: -3.825 flat angles P-C4'-P energy: -5.248 tors. eta vs tors. theta energy: -1.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 175 Temperature: 1.150000 Total energy: -38.397722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.397722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.397722 (E_RNA) where: Base-Base interactions energy: -13.608 where: short stacking energy: -13.608 Base-Backbone interact. energy: -0.027 local terms energy: -24.763119 where: bonds (distance) C4'-P energy: -4.024 bonds (distance) P-C4' energy: -5.892 flat angles C4'-P-C4' energy: -6.640 flat angles P-C4'-P energy: -3.795 tors. eta vs tors. theta energy: -4.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 175 Temperature: 1.200000 Total energy: -34.178839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.178839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.178839 (E_RNA) where: Base-Base interactions energy: -9.980 where: short stacking energy: -9.980 Base-Backbone interact. energy: -0.000 local terms energy: -24.199034 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -5.763 flat angles C4'-P-C4' energy: -5.581 flat angles P-C4'-P energy: -3.911 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: 8, replica: 2 ===================================== Write number: 175 Temperature: 1.250000 Total energy: -33.082076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.082076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.082076 (E_RNA) where: Base-Base interactions energy: -11.209 where: short stacking energy: -11.209 Base-Backbone interact. energy: -0.000 local terms energy: -21.872790 where: bonds (distance) C4'-P energy: -4.221 bonds (distance) P-C4' energy: -3.114 flat angles C4'-P-C4' energy: -5.274 flat angles P-C4'-P energy: -4.595 tors. eta vs tors. theta energy: -4.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 175 Temperature: 1.300000 Total energy: -29.651438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.651438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.651438 (E_RNA) where: Base-Base interactions energy: -8.992 where: short stacking energy: -8.992 Base-Backbone interact. energy: -0.563 local terms energy: -20.096447 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -2.066 flat angles P-C4'-P energy: -4.305 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: 10, replica: 6 ===================================== Write number: 175 Temperature: 1.350000 Total energy: -30.862213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.862213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.862213 (E_RNA) where: Base-Base interactions energy: -8.458 where: short stacking energy: -8.458 Base-Backbone interact. energy: -0.000 local terms energy: -22.403762 where: bonds (distance) C4'-P energy: -5.998 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -3.717 flat angles P-C4'-P energy: -4.672 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: 1, replica: 10 ===================================== Write number: 176 Temperature: 0.900000 Total energy: -35.104023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.104023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.104023 (E_RNA) where: Base-Base interactions energy: -11.828 where: short stacking energy: -11.828 Base-Backbone interact. energy: -0.025 local terms energy: -23.250356 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -5.036 flat angles P-C4'-P energy: -4.765 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: 2, replica: 8 ===================================== Write number: 176 Temperature: 0.950000 Total energy: -41.511069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.511069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.511069 (E_RNA) where: Base-Base interactions energy: -17.470 where: short stacking energy: -17.470 Base-Backbone interact. energy: -0.000 local terms energy: -24.040605 where: bonds (distance) C4'-P energy: -4.877 bonds (distance) P-C4' energy: -5.043 flat angles C4'-P-C4' energy: -4.641 flat angles P-C4'-P energy: -4.060 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: 3, replica: 1 ===================================== Write number: 176 Temperature: 1.000000 Total energy: -37.956642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.956642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.956642 (E_RNA) where: Base-Base interactions energy: -12.151 where: short stacking energy: -12.151 Base-Backbone interact. energy: -0.001 local terms energy: -25.805179 where: bonds (distance) C4'-P energy: -5.837 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -5.141 flat angles P-C4'-P energy: -5.099 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: 7 ===================================== Write number: 176 Temperature: 1.050000 Total energy: -37.990397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.990397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.990397 (E_RNA) where: Base-Base interactions energy: -14.458 where: short stacking energy: -14.458 Base-Backbone interact. energy: -0.000 local terms energy: -23.532812 where: bonds (distance) C4'-P energy: -3.547 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -5.552 flat angles P-C4'-P energy: -3.778 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: 5, replica: 5 ===================================== Write number: 176 Temperature: 1.100000 Total energy: -33.868949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.868949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.868949 (E_RNA) where: Base-Base interactions energy: -12.896 where: short stacking energy: -12.896 Base-Backbone interact. energy: -0.014 local terms energy: -20.958904 where: bonds (distance) C4'-P energy: -5.340 bonds (distance) P-C4' energy: -3.257 flat angles C4'-P-C4' energy: -5.394 flat angles P-C4'-P energy: -3.587 tors. eta vs tors. theta energy: -3.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 176 Temperature: 1.150000 Total energy: -35.808564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.808564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.808564 (E_RNA) where: Base-Base interactions energy: -10.973 where: short stacking energy: -10.973 Base-Backbone interact. energy: -0.087 local terms energy: -24.748166 where: bonds (distance) C4'-P energy: -5.419 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -5.046 flat angles P-C4'-P energy: -4.424 tors. eta vs tors. theta energy: -3.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 176 Temperature: 1.200000 Total energy: -36.850765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.850765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.850765 (E_RNA) where: Base-Base interactions energy: -14.629 where: short stacking energy: -14.629 Base-Backbone interact. energy: -0.029 local terms energy: -22.192171 where: bonds (distance) C4'-P energy: -5.783 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -6.165 flat angles P-C4'-P energy: -2.592 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: 8, replica: 9 ===================================== Write number: 176 Temperature: 1.250000 Total energy: -31.012072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.012072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.012072 (E_RNA) where: Base-Base interactions energy: -9.292 where: short stacking energy: -9.292 Base-Backbone interact. energy: -0.017 local terms energy: -21.703043 where: bonds (distance) C4'-P energy: -4.755 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -5.773 flat angles P-C4'-P energy: -3.863 tors. eta vs tors. theta energy: -0.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 176 Temperature: 1.300000 Total energy: -41.850148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.850148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.850148 (E_RNA) where: Base-Base interactions energy: -13.920 where: short stacking energy: -13.920 Base-Backbone interact. energy: -0.001 local terms energy: -27.929730 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -5.355 flat angles P-C4'-P energy: -4.679 tors. eta vs tors. theta energy: -5.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 176 Temperature: 1.350000 Total energy: -26.988030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.988030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.988030 (E_RNA) where: Base-Base interactions energy: -8.721 where: short stacking energy: -8.721 Base-Backbone interact. energy: -0.057 local terms energy: -18.209865 where: bonds (distance) C4'-P energy: -5.501 bonds (distance) P-C4' energy: -5.113 flat angles C4'-P-C4' energy: -4.492 flat angles P-C4'-P energy: -2.072 tors. eta vs tors. theta energy: -1.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 177 Temperature: 0.900000 Total energy: -37.104470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.104470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.104470 (E_RNA) where: Base-Base interactions energy: -13.369 where: short stacking energy: -13.369 Base-Backbone interact. energy: -0.020 local terms energy: -23.715849 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.881 flat angles P-C4'-P energy: -4.617 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: 2, replica: 1 ===================================== Write number: 177 Temperature: 0.950000 Total energy: -32.682045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.682045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.682045 (E_RNA) where: Base-Base interactions energy: -9.894 where: short stacking energy: -9.894 Base-Backbone interact. energy: -0.006 local terms energy: -22.782055 where: bonds (distance) C4'-P energy: -4.169 bonds (distance) P-C4' energy: -6.358 flat angles C4'-P-C4' energy: -5.391 flat angles P-C4'-P energy: -4.228 tors. eta vs tors. theta energy: -2.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 177 Temperature: 1.000000 Total energy: -35.050259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.050259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.050259 (E_RNA) where: Base-Base interactions energy: -13.084 where: short stacking energy: -13.084 Base-Backbone interact. energy: -0.002 local terms energy: -21.964047 where: bonds (distance) C4'-P energy: -5.518 bonds (distance) P-C4' energy: -5.680 flat angles C4'-P-C4' energy: -6.643 flat angles P-C4'-P energy: -3.235 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: 4, replica: 5 ===================================== Write number: 177 Temperature: 1.050000 Total energy: -38.665903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.665903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.665903 (E_RNA) where: Base-Base interactions energy: -14.441 where: short stacking energy: -14.441 Base-Backbone interact. energy: -0.055 local terms energy: -24.170649 where: bonds (distance) C4'-P energy: -3.663 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -6.747 flat angles P-C4'-P energy: -4.438 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: 5, replica: 7 ===================================== Write number: 177 Temperature: 1.100000 Total energy: -31.810347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.810347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.810347 (E_RNA) where: Base-Base interactions energy: -9.236 where: short stacking energy: -9.236 Base-Backbone interact. energy: -0.094 local terms energy: -22.480595 where: bonds (distance) C4'-P energy: -6.105 bonds (distance) P-C4' energy: -5.723 flat angles C4'-P-C4' energy: -6.480 flat angles P-C4'-P energy: -3.626 tors. eta vs tors. theta energy: -0.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 177 Temperature: 1.150000 Total energy: -34.130432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.130432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.130432 (E_RNA) where: Base-Base interactions energy: -10.319 where: short stacking energy: -10.319 Base-Backbone interact. energy: -0.000 local terms energy: -23.811904 where: bonds (distance) C4'-P energy: -4.905 bonds (distance) P-C4' energy: -6.189 flat angles C4'-P-C4' energy: -5.449 flat angles P-C4'-P energy: -4.005 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: 7, replica: 3 ===================================== Write number: 177 Temperature: 1.200000 Total energy: -37.321349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.321349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.321349 (E_RNA) where: Base-Base interactions energy: -15.111 where: short stacking energy: -15.111 Base-Backbone interact. energy: -0.079 local terms energy: -22.131771 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -2.604 flat angles C4'-P-C4' energy: -4.785 flat angles P-C4'-P energy: -4.189 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: 8, replica: 6 ===================================== Write number: 177 Temperature: 1.250000 Total energy: -31.943751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.943751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.943751 (E_RNA) where: Base-Base interactions energy: -7.813 where: short stacking energy: -7.813 Base-Backbone interact. energy: -0.000 local terms energy: -24.130667 where: bonds (distance) C4'-P energy: -5.729 bonds (distance) P-C4' energy: -6.438 flat angles C4'-P-C4' energy: -5.191 flat angles P-C4'-P energy: -3.365 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: 9, replica: 9 ===================================== Write number: 177 Temperature: 1.300000 Total energy: -29.629405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.629405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.629405 (E_RNA) where: Base-Base interactions energy: -9.405 where: short stacking energy: -9.405 Base-Backbone interact. energy: -0.022 local terms energy: -20.202165 where: bonds (distance) C4'-P energy: -4.789 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -5.357 flat angles P-C4'-P energy: -3.151 tors. eta vs tors. theta energy: -0.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 177 Temperature: 1.350000 Total energy: -31.835589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.835589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.835589 (E_RNA) where: Base-Base interactions energy: -10.198 where: short stacking energy: -10.198 Base-Backbone interact. energy: -0.094 local terms energy: -21.544151 where: bonds (distance) C4'-P energy: -4.686 bonds (distance) P-C4' energy: -5.826 flat angles C4'-P-C4' energy: -5.754 flat angles P-C4'-P energy: -3.991 tors. eta vs tors. theta energy: -1.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 178 Temperature: 0.900000 Total energy: -42.671696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.671696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.671696 (E_RNA) where: Base-Base interactions energy: -17.062 where: short stacking energy: -17.062 Base-Backbone interact. energy: -0.000 local terms energy: -25.609366 where: bonds (distance) C4'-P energy: -5.501 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -5.983 flat angles P-C4'-P energy: -4.167 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: 2, replica: 10 ===================================== Write number: 178 Temperature: 0.950000 Total energy: -39.820162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.820162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.820162 (E_RNA) where: Base-Base interactions energy: -14.038 where: short stacking energy: -14.038 Base-Backbone interact. energy: -0.005 local terms energy: -25.776808 where: bonds (distance) C4'-P energy: -4.401 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -4.809 flat angles P-C4'-P energy: -5.051 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: 3, replica: 5 ===================================== Write number: 178 Temperature: 1.000000 Total energy: -37.330196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.330196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.330196 (E_RNA) where: Base-Base interactions energy: -12.765 where: short stacking energy: -12.765 Base-Backbone interact. energy: -0.375 local terms energy: -24.189670 where: bonds (distance) C4'-P energy: -5.252 bonds (distance) P-C4' energy: -6.407 flat angles C4'-P-C4' energy: -5.478 flat angles P-C4'-P energy: -4.553 tors. eta vs tors. theta energy: -2.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 178 Temperature: 1.050000 Total energy: -39.500110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.500110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.500110 (E_RNA) where: Base-Base interactions energy: -12.365 where: short stacking energy: -12.365 Base-Backbone interact. energy: -0.000 local terms energy: -27.134977 where: bonds (distance) C4'-P energy: -5.882 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -6.467 flat angles P-C4'-P energy: -4.559 tors. eta vs tors. theta energy: -3.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 178 Temperature: 1.100000 Total energy: -34.777347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.777347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.777347 (E_RNA) where: Base-Base interactions energy: -10.645 where: short stacking energy: -10.645 Base-Backbone interact. energy: -0.031 local terms energy: -24.101122 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -6.785 flat angles P-C4'-P energy: -4.025 tors. eta vs tors. theta energy: -1.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 178 Temperature: 1.150000 Total energy: -31.720833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.720833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.720833 (E_RNA) where: Base-Base interactions energy: -10.347 where: short stacking energy: -10.347 Base-Backbone interact. energy: -0.136 local terms energy: -21.237983 where: bonds (distance) C4'-P energy: -4.639 bonds (distance) P-C4' energy: -6.132 flat angles C4'-P-C4' energy: -6.151 flat angles P-C4'-P energy: -4.593 tors. eta vs tors. theta energy: 0.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 178 Temperature: 1.200000 Total energy: -32.728811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.728811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.728811 (E_RNA) where: Base-Base interactions energy: -12.121 where: short stacking energy: -12.121 Base-Backbone interact. energy: -0.015 local terms energy: -20.592940 where: bonds (distance) C4'-P energy: -4.773 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -2.970 flat angles P-C4'-P energy: -2.628 tors. eta vs tors. theta energy: -3.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 178 Temperature: 1.250000 Total energy: -30.162612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.162612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.162612 (E_RNA) where: Base-Base interactions energy: -8.311 where: short stacking energy: -8.311 Base-Backbone interact. energy: -0.027 local terms energy: -21.824539 where: bonds (distance) C4'-P energy: -4.843 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -4.018 flat angles P-C4'-P energy: -4.693 tors. eta vs tors. theta energy: -2.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 178 Temperature: 1.300000 Total energy: -34.992744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.992744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.992744 (E_RNA) where: Base-Base interactions energy: -12.237 where: short stacking energy: -12.237 Base-Backbone interact. energy: -0.000 local terms energy: -22.755981 where: bonds (distance) C4'-P energy: -4.454 bonds (distance) P-C4' energy: -5.086 flat angles C4'-P-C4' energy: -5.640 flat angles P-C4'-P energy: -3.216 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: 10, replica: 9 ===================================== Write number: 178 Temperature: 1.350000 Total energy: -33.144941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.144941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.144941 (E_RNA) where: Base-Base interactions energy: -9.597 where: short stacking energy: -9.597 Base-Backbone interact. energy: -0.001 local terms energy: -23.546972 where: bonds (distance) C4'-P energy: -5.775 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.881 flat angles P-C4'-P energy: -4.374 tors. eta vs tors. theta energy: -0.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 179 Temperature: 0.900000 Total energy: -37.008464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.008464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.008464 (E_RNA) where: Base-Base interactions energy: -14.927 where: short stacking energy: -14.927 Base-Backbone interact. energy: -0.000 local terms energy: -22.081702 where: bonds (distance) C4'-P energy: -4.905 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -5.492 flat angles P-C4'-P energy: -2.855 tors. eta vs tors. theta energy: -2.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 179 Temperature: 0.950000 Total energy: -39.142035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.142035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.142035 (E_RNA) where: Base-Base interactions energy: -14.696 where: short stacking energy: -14.696 Base-Backbone interact. energy: -0.018 local terms energy: -24.427944 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -6.125 flat angles C4'-P-C4' energy: -6.382 flat angles P-C4'-P energy: -2.945 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: 3, replica: 10 ===================================== Write number: 179 Temperature: 1.000000 Total energy: -33.094999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.094999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.094999 (E_RNA) where: Base-Base interactions energy: -8.702 where: short stacking energy: -8.702 Base-Backbone interact. energy: -0.006 local terms energy: -24.386913 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -5.110 flat angles P-C4'-P energy: -4.393 tors. eta vs tors. theta energy: -2.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 179 Temperature: 1.050000 Total energy: -33.521176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.521176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.521176 (E_RNA) where: Base-Base interactions energy: -12.920 where: short stacking energy: -12.920 Base-Backbone interact. energy: -0.001 local terms energy: -20.599786 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -2.259 flat angles P-C4'-P energy: -2.390 tors. eta vs tors. theta energy: -3.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 179 Temperature: 1.100000 Total energy: -32.722535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.722535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.722535 (E_RNA) where: Base-Base interactions energy: -8.757 where: short stacking energy: -8.757 Base-Backbone interact. energy: -0.088 local terms energy: -23.877281 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -5.607 flat angles C4'-P-C4' energy: -5.758 flat angles P-C4'-P energy: -5.194 tors. eta vs tors. theta energy: -1.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 179 Temperature: 1.150000 Total energy: -32.208411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.208411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.208411 (E_RNA) where: Base-Base interactions energy: -11.096 where: short stacking energy: -11.096 Base-Backbone interact. energy: -0.000 local terms energy: -21.112023 where: bonds (distance) C4'-P energy: -4.673 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.294 flat angles P-C4'-P energy: -4.244 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: 7 ===================================== Write number: 179 Temperature: 1.200000 Total energy: -31.049860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.049860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.049860 (E_RNA) where: Base-Base interactions energy: -12.659 where: short stacking energy: -12.659 Base-Backbone interact. energy: -0.014 local terms energy: -18.376701 where: bonds (distance) C4'-P energy: -2.260 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -5.458 flat angles P-C4'-P energy: -1.788 tors. eta vs tors. theta energy: -3.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 179 Temperature: 1.250000 Total energy: -36.133923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.133923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.133923 (E_RNA) where: Base-Base interactions energy: -13.777 where: short stacking energy: -13.777 Base-Backbone interact. energy: -0.000 local terms energy: -22.357049 where: bonds (distance) C4'-P energy: -5.419 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -4.338 flat angles P-C4'-P energy: -2.961 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: 9, replica: 3 ===================================== Write number: 179 Temperature: 1.300000 Total energy: -30.608020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.608020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.608020 (E_RNA) where: Base-Base interactions energy: -9.055 where: short stacking energy: -9.055 Base-Backbone interact. energy: -0.009 local terms energy: -21.543680 where: bonds (distance) C4'-P energy: -5.171 bonds (distance) P-C4' energy: -6.873 flat angles C4'-P-C4' energy: -5.911 flat angles P-C4'-P energy: -4.170 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: 10, replica: 9 ===================================== Write number: 179 Temperature: 1.350000 Total energy: -27.954821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.954821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.954821 (E_RNA) where: Base-Base interactions energy: -5.536 where: short stacking energy: -5.536 Base-Backbone interact. energy: -0.165 local terms energy: -22.253766 where: bonds (distance) C4'-P energy: -5.998 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -4.830 flat angles P-C4'-P energy: -4.741 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: 1, replica: 5 ===================================== Write number: 180 Temperature: 0.900000 Total energy: -34.210802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.210802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.210802 (E_RNA) where: Base-Base interactions energy: -9.868 where: short stacking energy: -9.868 Base-Backbone interact. energy: -0.125 local terms energy: -24.217000 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -6.407 flat angles C4'-P-C4' energy: -5.843 flat angles P-C4'-P energy: -4.230 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: 2, replica: 1 ===================================== Write number: 180 Temperature: 0.950000 Total energy: -37.162958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.162958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.162958 (E_RNA) where: Base-Base interactions energy: -12.802 where: short stacking energy: -12.802 Base-Backbone interact. energy: -0.004 local terms energy: -24.357018 where: bonds (distance) C4'-P energy: -6.453 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -4.343 flat angles P-C4'-P energy: -3.877 tors. eta vs tors. theta energy: -3.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 180 Temperature: 1.000000 Total energy: -41.504965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.504965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.504965 (E_RNA) where: Base-Base interactions energy: -15.688 where: short stacking energy: -15.688 Base-Backbone interact. energy: -0.003 local terms energy: -25.814066 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.678 flat angles P-C4'-P energy: -5.142 tors. eta vs tors. theta energy: -3.178 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: 10 ===================================== Write number: 180 Temperature: 1.050000 Total energy: -37.902440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.902440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.902440 (E_RNA) where: Base-Base interactions energy: -12.651 where: short stacking energy: -12.651 Base-Backbone interact. energy: -0.001 local terms energy: -25.250720 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -5.861 flat angles P-C4'-P energy: -3.580 tors. eta vs tors. theta energy: -3.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 180 Temperature: 1.100000 Total energy: -37.078077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.078077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.078077 (E_RNA) where: Base-Base interactions energy: -12.019 where: short stacking energy: -12.019 Base-Backbone interact. energy: -0.081 local terms energy: -24.977906 where: bonds (distance) C4'-P energy: -6.044 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.169 flat angles P-C4'-P energy: -2.901 tors. eta vs tors. theta energy: -3.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 180 Temperature: 1.150000 Total energy: -32.489747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.489747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.489747 (E_RNA) where: Base-Base interactions energy: -11.245 where: short stacking energy: -11.245 Base-Backbone interact. energy: -0.090 local terms energy: -21.153814 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -5.532 flat angles P-C4'-P energy: -1.633 tors. eta vs tors. theta energy: -1.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 180 Temperature: 1.200000 Total energy: -32.395679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.395679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.395679 (E_RNA) where: Base-Base interactions energy: -10.225 where: short stacking energy: -10.225 Base-Backbone interact. energy: -0.092 local terms energy: -22.078833 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -7.147 flat angles C4'-P-C4' energy: -2.739 flat angles P-C4'-P energy: -4.631 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: 7 ===================================== Write number: 180 Temperature: 1.250000 Total energy: -33.518710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.518710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.518710 (E_RNA) where: Base-Base interactions energy: -13.208 where: short stacking energy: -13.208 Base-Backbone interact. energy: -0.000 local terms energy: -20.310594 where: bonds (distance) C4'-P energy: -4.230 bonds (distance) P-C4' energy: -4.910 flat angles C4'-P-C4' energy: -5.726 flat angles P-C4'-P energy: -1.230 tors. eta vs tors. theta energy: -4.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 180 Temperature: 1.300000 Total energy: -28.397547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.397547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.397547 (E_RNA) where: Base-Base interactions energy: -5.663 where: short stacking energy: -5.663 Base-Backbone interact. energy: -2.051 local terms energy: -20.683362 where: bonds (distance) C4'-P energy: -5.608 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -4.063 flat angles P-C4'-P energy: -3.195 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: 3 ===================================== Write number: 180 Temperature: 1.350000 Total energy: -28.777024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.777024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.777024 (E_RNA) where: Base-Base interactions energy: -9.118 where: short stacking energy: -9.118 Base-Backbone interact. energy: -0.690 local terms energy: -18.968949 where: bonds (distance) C4'-P energy: -4.541 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -4.990 flat angles P-C4'-P energy: -2.101 tors. eta vs tors. theta energy: -2.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 181 Temperature: 0.900000 Total energy: -43.721488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.721488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.721488 (E_RNA) where: Base-Base interactions energy: -17.240 where: short stacking energy: -17.240 Base-Backbone interact. energy: -0.005 local terms energy: -26.477208 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -5.833 flat angles C4'-P-C4' energy: -5.934 flat angles P-C4'-P energy: -5.138 tors. eta vs tors. theta energy: -3.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 181 Temperature: 0.950000 Total energy: -38.155226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.155226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.155226 (E_RNA) where: Base-Base interactions energy: -14.176 where: short stacking energy: -14.176 Base-Backbone interact. energy: -0.067 local terms energy: -23.911981 where: bonds (distance) C4'-P energy: -5.473 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -5.239 flat angles P-C4'-P energy: -5.001 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: 3, replica: 1 ===================================== Write number: 181 Temperature: 1.000000 Total energy: -38.414451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.414451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.414451 (E_RNA) where: Base-Base interactions energy: -14.267 where: short stacking energy: -14.267 Base-Backbone interact. energy: -0.000 local terms energy: -24.147401 where: bonds (distance) C4'-P energy: -5.535 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -5.311 flat angles P-C4'-P energy: -3.956 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: 6 ===================================== Write number: 181 Temperature: 1.050000 Total energy: -40.588793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.588793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.588793 (E_RNA) where: Base-Base interactions energy: -16.360 where: short stacking energy: -16.360 Base-Backbone interact. energy: -0.000 local terms energy: -24.228904 where: bonds (distance) C4'-P energy: -4.238 bonds (distance) P-C4' energy: -4.039 flat angles C4'-P-C4' energy: -5.767 flat angles P-C4'-P energy: -4.375 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: 5, replica: 10 ===================================== Write number: 181 Temperature: 1.100000 Total energy: -37.750661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.750661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.750661 (E_RNA) where: Base-Base interactions energy: -13.088 where: short stacking energy: -13.088 Base-Backbone interact. energy: -0.000 local terms energy: -24.662661 where: bonds (distance) C4'-P energy: -5.368 bonds (distance) P-C4' energy: -5.864 flat angles C4'-P-C4' energy: -6.112 flat angles P-C4'-P energy: -4.146 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: 8 ===================================== Write number: 181 Temperature: 1.150000 Total energy: -28.979772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.979772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.979772 (E_RNA) where: Base-Base interactions energy: -7.641 where: short stacking energy: -7.641 Base-Backbone interact. energy: -0.068 local terms energy: -21.270466 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -6.174 flat angles C4'-P-C4' energy: -4.775 flat angles P-C4'-P energy: -3.340 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: 7, replica: 4 ===================================== Write number: 181 Temperature: 1.200000 Total energy: -31.990460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.990460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.990460 (E_RNA) where: Base-Base interactions energy: -7.024 where: short stacking energy: -7.024 Base-Backbone interact. energy: -0.065 local terms energy: -24.901211 where: bonds (distance) C4'-P energy: -6.453 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -5.569 flat angles P-C4'-P energy: -2.863 tors. eta vs tors. theta energy: -4.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 181 Temperature: 1.250000 Total energy: -32.391621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.391621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.391621 (E_RNA) where: Base-Base interactions energy: -12.020 where: short stacking energy: -12.020 Base-Backbone interact. energy: -0.000 local terms energy: -20.371617 where: bonds (distance) C4'-P energy: -4.756 bonds (distance) P-C4' energy: -5.833 flat angles C4'-P-C4' energy: -2.556 flat angles P-C4'-P energy: -4.158 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: 7 ===================================== Write number: 181 Temperature: 1.300000 Total energy: -31.764674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.764674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.764674 (E_RNA) where: Base-Base interactions energy: -12.136 where: short stacking energy: -12.136 Base-Backbone interact. energy: -0.002 local terms energy: -19.627113 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -5.600 flat angles C4'-P-C4' energy: -3.362 flat angles P-C4'-P energy: -3.543 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: 3 ===================================== Write number: 181 Temperature: 1.350000 Total energy: -27.873396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.873396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.873396 (E_RNA) where: Base-Base interactions energy: -8.085 where: short stacking energy: -8.085 Base-Backbone interact. energy: -0.000 local terms energy: -19.787995 where: bonds (distance) C4'-P energy: -5.286 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -5.102 flat angles P-C4'-P energy: -3.390 tors. eta vs tors. theta energy: 0.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 182 Temperature: 0.900000 Total energy: -38.015167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.015167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.015167 (E_RNA) where: Base-Base interactions energy: -16.722 where: short stacking energy: -16.722 Base-Backbone interact. energy: -0.023 local terms energy: -21.269986 where: bonds (distance) C4'-P energy: -4.392 bonds (distance) P-C4' energy: -5.702 flat angles C4'-P-C4' energy: -4.676 flat angles P-C4'-P energy: -4.810 tors. eta vs tors. theta energy: -1.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 182 Temperature: 0.950000 Total energy: -37.643451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.643451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.643451 (E_RNA) where: Base-Base interactions energy: -14.289 where: short stacking energy: -14.289 Base-Backbone interact. energy: -0.037 local terms energy: -23.317207 where: bonds (distance) C4'-P energy: -5.153 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -3.511 flat angles P-C4'-P energy: -4.525 tors. eta vs tors. theta energy: -3.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 182 Temperature: 1.000000 Total energy: -37.151037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.151037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.151037 (E_RNA) where: Base-Base interactions energy: -10.360 where: short stacking energy: -10.360 Base-Backbone interact. energy: -0.000 local terms energy: -26.790926 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -4.965 flat angles P-C4'-P energy: -3.816 tors. eta vs tors. theta energy: -5.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 182 Temperature: 1.050000 Total energy: -36.989368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.989368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.989368 (E_RNA) where: Base-Base interactions energy: -9.723 where: short stacking energy: -9.723 Base-Backbone interact. energy: -0.000 local terms energy: -27.265977 where: bonds (distance) C4'-P energy: -5.608 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -4.196 flat angles P-C4'-P energy: -5.124 tors. eta vs tors. theta energy: -5.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 182 Temperature: 1.100000 Total energy: -33.829897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.829897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.829897 (E_RNA) where: Base-Base interactions energy: -13.642 where: short stacking energy: -13.642 Base-Backbone interact. energy: -0.006 local terms energy: -20.182069 where: bonds (distance) C4'-P energy: -5.029 bonds (distance) P-C4' energy: -5.509 flat angles C4'-P-C4' energy: -4.919 flat angles P-C4'-P energy: -4.794 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: 6, replica: 10 ===================================== Write number: 182 Temperature: 1.150000 Total energy: -33.112812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.112812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.112812 (E_RNA) where: Base-Base interactions energy: -9.909 where: short stacking energy: -9.909 Base-Backbone interact. energy: 0.316 local terms energy: -23.519654 where: bonds (distance) C4'-P energy: -5.696 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -5.446 flat angles P-C4'-P energy: -4.103 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: 9 ===================================== Write number: 182 Temperature: 1.200000 Total energy: -32.659582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.659582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.659582 (E_RNA) where: Base-Base interactions energy: -10.229 where: short stacking energy: -10.229 Base-Backbone interact. energy: -0.000 local terms energy: -22.430201 where: bonds (distance) C4'-P energy: -2.516 bonds (distance) P-C4' energy: -4.914 flat angles C4'-P-C4' energy: -5.909 flat angles P-C4'-P energy: -4.539 tors. eta vs tors. theta energy: -4.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 182 Temperature: 1.250000 Total energy: -27.937522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.937522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.937522 (E_RNA) where: Base-Base interactions energy: -10.855 where: short stacking energy: -9.133 Base-Backbone interact. energy: -0.091 local terms energy: -16.991575 where: bonds (distance) C4'-P energy: -6.160 bonds (distance) P-C4' energy: -4.061 flat angles C4'-P-C4' energy: -4.072 flat angles P-C4'-P energy: -3.752 tors. eta vs tors. theta energy: 1.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 182 Temperature: 1.300000 Total energy: -30.640985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.640985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.640985 (E_RNA) where: Base-Base interactions energy: -11.096 where: short stacking energy: -11.096 Base-Backbone interact. energy: -0.001 local terms energy: -19.544225 where: bonds (distance) C4'-P energy: -4.045 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -5.764 flat angles P-C4'-P energy: -4.266 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: 7 ===================================== Write number: 182 Temperature: 1.350000 Total energy: -30.126069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.126069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.126069 (E_RNA) where: Base-Base interactions energy: -9.251 where: short stacking energy: -9.251 Base-Backbone interact. energy: -0.001 local terms energy: -20.874336 where: bonds (distance) C4'-P energy: -5.696 bonds (distance) P-C4' energy: -5.339 flat angles C4'-P-C4' energy: -4.367 flat angles P-C4'-P energy: -2.498 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: 1, replica: 2 ===================================== Write number: 183 Temperature: 0.900000 Total energy: -41.553271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.553271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.553271 (E_RNA) where: Base-Base interactions energy: -17.622 where: short stacking energy: -17.622 Base-Backbone interact. energy: -0.072 local terms energy: -23.859271 where: bonds (distance) C4'-P energy: -5.866 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -4.151 flat angles P-C4'-P energy: -4.837 tors. eta vs tors. theta energy: -2.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 183 Temperature: 0.950000 Total energy: -40.649929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.649929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.649929 (E_RNA) where: Base-Base interactions energy: -13.084 where: short stacking energy: -13.084 Base-Backbone interact. energy: -0.004 local terms energy: -27.562258 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -6.352 flat angles P-C4'-P energy: -3.694 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: 3, replica: 5 ===================================== Write number: 183 Temperature: 1.000000 Total energy: -38.417491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.417491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.417491 (E_RNA) where: Base-Base interactions energy: -13.324 where: short stacking energy: -13.324 Base-Backbone interact. energy: -0.000 local terms energy: -25.093720 where: bonds (distance) C4'-P energy: -5.953 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -5.886 flat angles P-C4'-P energy: -3.874 tors. eta vs tors. theta energy: -2.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 183 Temperature: 1.050000 Total energy: -36.586108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.586108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.586108 (E_RNA) where: Base-Base interactions energy: -15.080 where: short stacking energy: -15.080 Base-Backbone interact. energy: -0.001 local terms energy: -21.505256 where: bonds (distance) C4'-P energy: -5.303 bonds (distance) P-C4' energy: -5.346 flat angles C4'-P-C4' energy: -3.880 flat angles P-C4'-P energy: -3.827 tors. eta vs tors. theta energy: -3.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 183 Temperature: 1.100000 Total energy: -34.123786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.123786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.123786 (E_RNA) where: Base-Base interactions energy: -11.503 where: short stacking energy: -11.503 Base-Backbone interact. energy: -0.018 local terms energy: -22.602798 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -6.181 flat angles C4'-P-C4' energy: -4.308 flat angles P-C4'-P energy: -2.941 tors. eta vs tors. theta energy: -2.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 183 Temperature: 1.150000 Total energy: -34.731326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.731326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.731326 (E_RNA) where: Base-Base interactions energy: -10.423 where: short stacking energy: -10.423 Base-Backbone interact. energy: -0.000 local terms energy: -24.307915 where: bonds (distance) C4'-P energy: -6.105 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -5.026 flat angles P-C4'-P energy: -4.547 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: 7, replica: 10 ===================================== Write number: 183 Temperature: 1.200000 Total energy: -34.589429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.589429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.589429 (E_RNA) where: Base-Base interactions energy: -11.234 where: short stacking energy: -11.234 Base-Backbone interact. energy: -0.011 local terms energy: -23.344929 where: bonds (distance) C4'-P energy: -5.109 bonds (distance) P-C4' energy: -7.130 flat angles C4'-P-C4' energy: -5.327 flat angles P-C4'-P energy: -3.617 tors. eta vs tors. theta energy: -2.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 183 Temperature: 1.250000 Total energy: -33.678811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.678811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.678811 (E_RNA) where: Base-Base interactions energy: -10.795 where: short stacking energy: -10.795 Base-Backbone interact. energy: -0.003 local terms energy: -22.881313 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -4.358 flat angles P-C4'-P energy: -4.264 tors. eta vs tors. theta energy: -2.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 183 Temperature: 1.300000 Total energy: -27.190397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.190397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.190397 (E_RNA) where: Base-Base interactions energy: -7.771 where: short stacking energy: -7.771 Base-Backbone interact. energy: -0.012 local terms energy: -19.407106 where: bonds (distance) C4'-P energy: -4.570 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -4.639 flat angles P-C4'-P energy: -2.084 tors. eta vs tors. theta energy: -2.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 183 Temperature: 1.350000 Total energy: -32.056061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.056061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.056061 (E_RNA) where: Base-Base interactions energy: -10.461 where: short stacking energy: -10.461 Base-Backbone interact. energy: -0.016 local terms energy: -21.579771 where: bonds (distance) C4'-P energy: -4.346 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -4.589 flat angles P-C4'-P energy: -3.062 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: 1, replica: 6 ===================================== Write number: 184 Temperature: 0.900000 Total energy: -40.879153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.879153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.879153 (E_RNA) where: Base-Base interactions energy: -12.368 where: short stacking energy: -12.368 Base-Backbone interact. energy: -0.009 local terms energy: -28.502509 where: bonds (distance) C4'-P energy: -6.453 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -4.834 flat angles P-C4'-P energy: -4.593 tors. eta vs tors. theta energy: -5.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 184 Temperature: 0.950000 Total energy: -40.649308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.649308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.649308 (E_RNA) where: Base-Base interactions energy: -15.408 where: short stacking energy: -15.408 Base-Backbone interact. energy: -0.000 local terms energy: -25.241373 where: bonds (distance) C4'-P energy: -5.104 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -5.023 flat angles P-C4'-P energy: -3.139 tors. eta vs tors. theta energy: -5.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 184 Temperature: 1.000000 Total energy: -37.733769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.733769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.733769 (E_RNA) where: Base-Base interactions energy: -8.460 where: short stacking energy: -8.460 Base-Backbone interact. energy: -0.062 local terms energy: -29.211945 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -6.428 flat angles P-C4'-P energy: -4.306 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: 4, replica: 5 ===================================== Write number: 184 Temperature: 1.050000 Total energy: -36.925125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.925125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.925125 (E_RNA) where: Base-Base interactions energy: -12.942 where: short stacking energy: -12.942 Base-Backbone interact. energy: -0.000 local terms energy: -23.982952 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -5.255 flat angles C4'-P-C4' energy: -3.622 flat angles P-C4'-P energy: -4.408 tors. eta vs tors. theta energy: -5.064 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: 9 ===================================== Write number: 184 Temperature: 1.100000 Total energy: -33.138108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.138108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.138108 (E_RNA) where: Base-Base interactions energy: -11.350 where: short stacking energy: -11.350 Base-Backbone interact. energy: -0.001 local terms energy: -21.787686 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.780 flat angles P-C4'-P energy: -2.498 tors. eta vs tors. theta energy: -0.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 184 Temperature: 1.150000 Total energy: -31.486393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.486393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.486393 (E_RNA) where: Base-Base interactions energy: -8.768 where: short stacking energy: -8.768 Base-Backbone interact. energy: -0.013 local terms energy: -22.705597 where: bonds (distance) C4'-P energy: -5.277 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -5.930 flat angles P-C4'-P energy: -3.501 tors. eta vs tors. theta energy: -2.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 184 Temperature: 1.200000 Total energy: -31.553003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.553003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.553003 (E_RNA) where: Base-Base interactions energy: -10.870 where: short stacking energy: -10.870 Base-Backbone interact. energy: -0.009 local terms energy: -20.673370 where: bonds (distance) C4'-P energy: -4.242 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.333 flat angles P-C4'-P energy: -3.779 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: 8, replica: 10 ===================================== Write number: 184 Temperature: 1.250000 Total energy: -32.342163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.342163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.342163 (E_RNA) where: Base-Base interactions energy: -7.290 where: short stacking energy: -7.290 Base-Backbone interact. energy: -0.006 local terms energy: -25.045303 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.291 flat angles P-C4'-P energy: -3.978 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: 9, replica: 7 ===================================== Write number: 184 Temperature: 1.300000 Total energy: -30.173147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.173147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.173147 (E_RNA) where: Base-Base interactions energy: -12.578 where: short stacking energy: -12.578 Base-Backbone interact. energy: -0.001 local terms energy: -17.594278 where: bonds (distance) C4'-P energy: -5.021 bonds (distance) P-C4' energy: -6.122 flat angles C4'-P-C4' energy: -3.583 flat angles P-C4'-P energy: -3.521 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: 4 ===================================== Write number: 184 Temperature: 1.350000 Total energy: -26.237954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.237954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.237954 (E_RNA) where: Base-Base interactions energy: -8.246 where: short stacking energy: -5.001 Base-Backbone interact. energy: -0.526 local terms energy: -17.465284 where: bonds (distance) C4'-P energy: -6.168 bonds (distance) P-C4' energy: -4.593 flat angles C4'-P-C4' energy: -4.698 flat angles P-C4'-P energy: -3.155 tors. eta vs tors. theta energy: 1.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 185 Temperature: 0.900000 Total energy: -37.192435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.192435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.192435 (E_RNA) where: Base-Base interactions energy: -12.286 where: short stacking energy: -12.286 Base-Backbone interact. energy: -0.055 local terms energy: -24.850809 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -3.356 flat angles P-C4'-P energy: -3.433 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: 2, replica: 8 ===================================== Write number: 185 Temperature: 0.950000 Total energy: -39.399074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.399074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.399074 (E_RNA) where: Base-Base interactions energy: -16.768 where: short stacking energy: -16.768 Base-Backbone interact. energy: -0.008 local terms energy: -22.623042 where: bonds (distance) C4'-P energy: -5.750 bonds (distance) P-C4' energy: -5.712 flat angles C4'-P-C4' energy: -4.408 flat angles P-C4'-P energy: -4.747 tors. eta vs tors. theta energy: -2.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 185 Temperature: 1.000000 Total energy: -36.258870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.258870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.258870 (E_RNA) where: Base-Base interactions energy: -12.843 where: short stacking energy: -12.843 Base-Backbone interact. energy: -0.106 local terms energy: -23.308899 where: bonds (distance) C4'-P energy: -4.959 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.076 flat angles P-C4'-P energy: -4.859 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: 4, replica: 9 ===================================== Write number: 185 Temperature: 1.050000 Total energy: -37.979718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.979718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.979718 (E_RNA) where: Base-Base interactions energy: -13.257 where: short stacking energy: -13.257 Base-Backbone interact. energy: -0.006 local terms energy: -24.717154 where: bonds (distance) C4'-P energy: -5.473 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -6.259 flat angles P-C4'-P energy: -3.796 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: 5 ===================================== Write number: 185 Temperature: 1.100000 Total energy: -38.681163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.681163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.681163 (E_RNA) where: Base-Base interactions energy: -12.173 where: short stacking energy: -12.173 Base-Backbone interact. energy: -0.606 local terms energy: -25.902624 where: bonds (distance) C4'-P energy: -5.473 bonds (distance) P-C4' energy: -5.445 flat angles C4'-P-C4' energy: -5.514 flat angles P-C4'-P energy: -4.193 tors. eta vs tors. theta energy: -5.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 185 Temperature: 1.150000 Total energy: -33.405077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.405077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.405077 (E_RNA) where: Base-Base interactions energy: -9.563 where: short stacking energy: -9.563 Base-Backbone interact. energy: -0.006 local terms energy: -23.835477 where: bonds (distance) C4'-P energy: -4.339 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -6.520 flat angles P-C4'-P energy: -2.843 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: 7, replica: 1 ===================================== Write number: 185 Temperature: 1.200000 Total energy: -35.039749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.039749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.039749 (E_RNA) where: Base-Base interactions energy: -12.723 where: short stacking energy: -12.723 Base-Backbone interact. energy: -0.036 local terms energy: -22.280535 where: bonds (distance) C4'-P energy: -4.921 bonds (distance) P-C4' energy: -4.527 flat angles C4'-P-C4' energy: -6.131 flat angles P-C4'-P energy: -4.953 tors. eta vs tors. theta energy: -1.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 185 Temperature: 1.250000 Total energy: -32.016110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.016110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.016110 (E_RNA) where: Base-Base interactions energy: -12.163 where: short stacking energy: -12.163 Base-Backbone interact. energy: -0.037 local terms energy: -19.816223 where: bonds (distance) C4'-P energy: -2.980 bonds (distance) P-C4' energy: -5.662 flat angles C4'-P-C4' energy: -6.430 flat angles P-C4'-P energy: -1.811 tors. eta vs tors. theta energy: -2.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 185 Temperature: 1.300000 Total energy: -32.773945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.773945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.773945 (E_RNA) where: Base-Base interactions energy: -10.839 where: short stacking energy: -10.839 Base-Backbone interact. energy: -0.001 local terms energy: -21.933438 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -4.966 flat angles P-C4'-P energy: -2.973 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: 10, replica: 4 ===================================== Write number: 185 Temperature: 1.350000 Total energy: -29.186960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.186960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.186960 (E_RNA) where: Base-Base interactions energy: -9.771 where: short stacking energy: -9.771 Base-Backbone interact. energy: -0.012 local terms energy: -19.403594 where: bonds (distance) C4'-P energy: -5.866 bonds (distance) P-C4' energy: -6.122 flat angles C4'-P-C4' energy: -0.881 flat angles P-C4'-P energy: -4.012 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: 1, replica: 8 ===================================== Write number: 186 Temperature: 0.900000 Total energy: -43.078492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.078492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.078492 (E_RNA) where: Base-Base interactions energy: -17.547 where: short stacking energy: -17.547 Base-Backbone interact. energy: -0.000 local terms energy: -25.531515 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -4.874 flat angles C4'-P-C4' energy: -4.953 flat angles P-C4'-P energy: -4.962 tors. eta vs tors. theta energy: -4.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 186 Temperature: 0.950000 Total energy: -38.288149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.288149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.288149 (E_RNA) where: Base-Base interactions energy: -13.898 where: short stacking energy: -13.898 Base-Backbone interact. energy: -0.069 local terms energy: -24.321789 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -5.308 flat angles P-C4'-P energy: -3.907 tors. eta vs tors. theta energy: -3.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 186 Temperature: 1.000000 Total energy: -41.631261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.631261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.631261 (E_RNA) where: Base-Base interactions energy: -16.809 where: short stacking energy: -16.809 Base-Backbone interact. energy: -0.000 local terms energy: -24.822563 where: bonds (distance) C4'-P energy: -5.419 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -2.995 flat angles P-C4'-P energy: -4.418 tors. eta vs tors. theta energy: -5.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 186 Temperature: 1.050000 Total energy: -37.411172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.411172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.411172 (E_RNA) where: Base-Base interactions energy: -16.330 where: short stacking energy: -16.330 Base-Backbone interact. energy: -0.009 local terms energy: -21.072455 where: bonds (distance) C4'-P energy: -2.466 bonds (distance) P-C4' energy: -5.938 flat angles C4'-P-C4' energy: -5.943 flat angles P-C4'-P energy: -3.685 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: 5, replica: 3 ===================================== Write number: 186 Temperature: 1.100000 Total energy: -32.244186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.244186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.244186 (E_RNA) where: Base-Base interactions energy: -9.663 where: short stacking energy: -9.663 Base-Backbone interact. energy: -0.015 local terms energy: -22.566406 where: bonds (distance) C4'-P energy: -3.485 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -5.481 flat angles P-C4'-P energy: -3.852 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: 6, replica: 5 ===================================== Write number: 186 Temperature: 1.150000 Total energy: -31.128145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.128145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.128145 (E_RNA) where: Base-Base interactions energy: -8.932 where: short stacking energy: -8.932 Base-Backbone interact. energy: -0.010 local terms energy: -22.187083 where: bonds (distance) C4'-P energy: -5.527 bonds (distance) P-C4' energy: -4.371 flat angles C4'-P-C4' energy: -6.189 flat angles P-C4'-P energy: -3.799 tors. eta vs tors. theta energy: -2.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 186 Temperature: 1.200000 Total energy: -35.300870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.300870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.300870 (E_RNA) where: Base-Base interactions energy: -13.801 where: short stacking energy: -13.801 Base-Backbone interact. energy: -0.000 local terms energy: -21.499459 where: bonds (distance) C4'-P energy: -4.934 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -2.893 flat angles P-C4'-P energy: -3.813 tors. eta vs tors. theta energy: -2.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 186 Temperature: 1.250000 Total energy: -34.657851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.657851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.657851 (E_RNA) where: Base-Base interactions energy: -10.854 where: short stacking energy: -10.854 Base-Backbone interact. energy: -0.000 local terms energy: -23.803623 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -3.766 flat angles C4'-P-C4' energy: -5.780 flat angles P-C4'-P energy: -4.723 tors. eta vs tors. theta energy: -3.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 186 Temperature: 1.300000 Total energy: -31.470769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.470769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.470769 (E_RNA) where: Base-Base interactions energy: -8.721 where: short stacking energy: -8.721 Base-Backbone interact. energy: -0.074 local terms energy: -22.675188 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -5.541 flat angles C4'-P-C4' energy: -4.672 flat angles P-C4'-P energy: -4.409 tors. eta vs tors. theta energy: -2.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 186 Temperature: 1.350000 Total energy: -30.498060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.498060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.498060 (E_RNA) where: Base-Base interactions energy: -8.946 where: short stacking energy: -8.946 Base-Backbone interact. energy: -0.392 local terms energy: -21.160737 where: bonds (distance) C4'-P energy: -4.959 bonds (distance) P-C4' energy: -5.702 flat angles C4'-P-C4' energy: -5.359 flat angles P-C4'-P energy: -3.682 tors. eta vs tors. theta energy: -1.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 187 Temperature: 0.900000 Total energy: -39.294197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.294197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.294197 (E_RNA) where: Base-Base interactions energy: -14.340 where: short stacking energy: -14.340 Base-Backbone interact. energy: -0.000 local terms energy: -24.954088 where: bonds (distance) C4'-P energy: -5.953 bonds (distance) P-C4' energy: -5.705 flat angles C4'-P-C4' energy: -5.716 flat angles P-C4'-P energy: -1.774 tors. eta vs tors. theta energy: -5.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 187 Temperature: 0.950000 Total energy: -39.863209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.863209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.863209 (E_RNA) where: Base-Base interactions energy: -13.762 where: short stacking energy: -13.762 Base-Backbone interact. energy: -0.000 local terms energy: -26.100935 where: bonds (distance) C4'-P energy: -4.251 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -5.296 flat angles P-C4'-P energy: -3.949 tors. eta vs tors. theta energy: -5.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 187 Temperature: 1.000000 Total energy: -37.128168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.128168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.128168 (E_RNA) where: Base-Base interactions energy: -14.193 where: short stacking energy: -14.193 Base-Backbone interact. energy: -0.000 local terms energy: -22.935098 where: bonds (distance) C4'-P energy: -4.151 bonds (distance) P-C4' energy: -5.868 flat angles C4'-P-C4' energy: -5.726 flat angles P-C4'-P energy: -3.250 tors. eta vs tors. theta energy: -3.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 187 Temperature: 1.050000 Total energy: -34.132759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.132759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.132759 (E_RNA) where: Base-Base interactions energy: -12.521 where: short stacking energy: -12.521 Base-Backbone interact. energy: -0.001 local terms energy: -21.611524 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -5.321 flat angles C4'-P-C4' energy: -5.462 flat angles P-C4'-P energy: -1.366 tors. eta vs tors. theta energy: -4.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 187 Temperature: 1.100000 Total energy: -36.621993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.621993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.621993 (E_RNA) where: Base-Base interactions energy: -12.387 where: short stacking energy: -12.387 Base-Backbone interact. energy: -0.000 local terms energy: -24.234543 where: bonds (distance) C4'-P energy: -4.665 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -3.378 flat angles P-C4'-P energy: -3.586 tors. eta vs tors. theta energy: -6.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 187 Temperature: 1.150000 Total energy: -34.233701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.233701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.233701 (E_RNA) where: Base-Base interactions energy: -9.479 where: short stacking energy: -9.479 Base-Backbone interact. energy: -0.000 local terms energy: -24.754493 where: bonds (distance) C4'-P energy: -6.462 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -5.834 flat angles P-C4'-P energy: -3.818 tors. eta vs tors. theta energy: -1.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 187 Temperature: 1.200000 Total energy: -32.917904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.917904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.917904 (E_RNA) where: Base-Base interactions energy: -13.191 where: short stacking energy: -13.191 Base-Backbone interact. energy: -0.116 local terms energy: -19.611023 where: bonds (distance) C4'-P energy: -2.743 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -6.005 flat angles P-C4'-P energy: -3.155 tors. eta vs tors. theta energy: -1.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 187 Temperature: 1.250000 Total energy: -32.127174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.127174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.127174 (E_RNA) where: Base-Base interactions energy: -6.837 where: short stacking energy: -6.837 Base-Backbone interact. energy: -0.000 local terms energy: -25.290589 where: bonds (distance) C4'-P energy: -6.014 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -6.058 flat angles P-C4'-P energy: -4.986 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: 9, replica: 1 ===================================== Write number: 187 Temperature: 1.300000 Total energy: -35.623675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.623675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.623675 (E_RNA) where: Base-Base interactions energy: -13.630 where: short stacking energy: -13.630 Base-Backbone interact. energy: -0.000 local terms energy: -21.993482 where: bonds (distance) C4'-P energy: -2.528 bonds (distance) P-C4' energy: -6.177 flat angles C4'-P-C4' energy: -5.182 flat angles P-C4'-P energy: -3.531 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: 10, replica: 7 ===================================== Write number: 187 Temperature: 1.350000 Total energy: -28.241699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.241699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.241699 (E_RNA) where: Base-Base interactions energy: -8.258 where: short stacking energy: -8.258 Base-Backbone interact. energy: -0.010 local terms energy: -19.973215 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -5.925 flat angles P-C4'-P energy: -3.263 tors. eta vs tors. theta energy: 1.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 188 Temperature: 0.900000 Total energy: -43.037954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.037954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.037954 (E_RNA) where: Base-Base interactions energy: -18.217 where: short stacking energy: -18.217 Base-Backbone interact. energy: -0.000 local terms energy: -24.820995 where: bonds (distance) C4'-P energy: -5.456 bonds (distance) P-C4' energy: -4.522 flat angles C4'-P-C4' energy: -5.222 flat angles P-C4'-P energy: -2.859 tors. eta vs tors. theta energy: -6.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 188 Temperature: 0.950000 Total energy: -40.767158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.767158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.767158 (E_RNA) where: Base-Base interactions energy: -15.514 where: short stacking energy: -15.814 Base-Backbone interact. energy: -0.300 local terms energy: -24.953646 where: bonds (distance) C4'-P energy: -5.998 bonds (distance) P-C4' energy: -5.506 flat angles C4'-P-C4' energy: -6.239 flat angles P-C4'-P energy: -4.629 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: 3, replica: 3 ===================================== Write number: 188 Temperature: 1.000000 Total energy: -38.420822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.420822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.420822 (E_RNA) where: Base-Base interactions energy: -14.012 where: short stacking energy: -14.012 Base-Backbone interact. energy: -0.000 local terms energy: -24.408701 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -5.802 flat angles P-C4'-P energy: -4.656 tors. eta vs tors. theta energy: -1.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 188 Temperature: 1.050000 Total energy: -35.940288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.940288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.940288 (E_RNA) where: Base-Base interactions energy: -14.460 where: short stacking energy: -14.460 Base-Backbone interact. energy: -0.001 local terms energy: -21.479700 where: bonds (distance) C4'-P energy: -4.223 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -3.927 flat angles P-C4'-P energy: -1.279 tors. eta vs tors. theta energy: -5.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 188 Temperature: 1.100000 Total energy: -35.920720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.920720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.920720 (E_RNA) where: Base-Base interactions energy: -14.495 where: short stacking energy: -14.495 Base-Backbone interact. energy: -0.000 local terms energy: -21.425889 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -5.826 flat angles C4'-P-C4' energy: -1.549 flat angles P-C4'-P energy: -5.230 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: 6, replica: 2 ===================================== Write number: 188 Temperature: 1.150000 Total energy: -28.650306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.650306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.650306 (E_RNA) where: Base-Base interactions energy: -7.721 where: short stacking energy: -7.721 Base-Backbone interact. energy: -0.001 local terms energy: -20.927676 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -5.989 flat angles P-C4'-P energy: -1.528 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: 7, replica: 4 ===================================== Write number: 188 Temperature: 1.200000 Total energy: -33.398149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.398149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.398149 (E_RNA) where: Base-Base interactions energy: -13.368 where: short stacking energy: -13.368 Base-Backbone interact. energy: -0.001 local terms energy: -20.029700 where: bonds (distance) C4'-P energy: -4.143 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.773 flat angles P-C4'-P energy: -4.106 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: 188 Temperature: 1.250000 Total energy: -29.444854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.444854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.444854 (E_RNA) where: Base-Base interactions energy: -9.976 where: short stacking energy: -9.976 Base-Backbone interact. energy: -0.005 local terms energy: -19.464340 where: bonds (distance) C4'-P energy: -5.990 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -3.053 flat angles P-C4'-P energy: -3.444 tors. eta vs tors. theta energy: -0.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 188 Temperature: 1.300000 Total energy: -27.724068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.724068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.724068 (E_RNA) where: Base-Base interactions energy: -6.950 where: short stacking energy: -6.950 Base-Backbone interact. energy: -0.002 local terms energy: -20.772341 where: bonds (distance) C4'-P energy: -5.419 bonds (distance) P-C4' energy: -4.039 flat angles C4'-P-C4' energy: -5.323 flat angles P-C4'-P energy: -3.005 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: 10, replica: 1 ===================================== Write number: 188 Temperature: 1.350000 Total energy: -37.218672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.218672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.218672 (E_RNA) where: Base-Base interactions energy: -12.075 where: short stacking energy: -12.075 Base-Backbone interact. energy: -0.013 local terms energy: -25.130301 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -6.203 flat angles C4'-P-C4' energy: -6.270 flat angles P-C4'-P energy: -3.240 tors. eta vs tors. theta energy: -4.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 189 Temperature: 0.900000 Total energy: -40.314723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.314723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.314723 (E_RNA) where: Base-Base interactions energy: -16.422 where: short stacking energy: -16.422 Base-Backbone interact. energy: -0.001 local terms energy: -23.891977 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -4.789 flat angles P-C4'-P energy: -2.075 tors. eta vs tors. theta energy: -4.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 189 Temperature: 0.950000 Total energy: -42.369596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.369596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.369596 (E_RNA) where: Base-Base interactions energy: -15.730 where: short stacking energy: -15.730 Base-Backbone interact. energy: -0.002 local terms energy: -26.638042 where: bonds (distance) C4'-P energy: -6.006 bonds (distance) P-C4' energy: -5.576 flat angles C4'-P-C4' energy: -5.850 flat angles P-C4'-P energy: -3.622 tors. eta vs tors. theta energy: -5.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 189 Temperature: 1.000000 Total energy: -38.598539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.598539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.598539 (E_RNA) where: Base-Base interactions energy: -15.316 where: short stacking energy: -15.316 Base-Backbone interact. energy: -0.000 local terms energy: -23.282922 where: bonds (distance) C4'-P energy: -0.857 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -5.123 flat angles P-C4'-P energy: -5.458 tors. eta vs tors. theta energy: -5.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 189 Temperature: 1.050000 Total energy: -41.534591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.534591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.534591 (E_RNA) where: Base-Base interactions energy: -14.962 where: short stacking energy: -14.962 Base-Backbone interact. energy: -0.000 local terms energy: -26.572399 where: bonds (distance) C4'-P energy: -4.177 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.411 flat angles P-C4'-P energy: -3.589 tors. eta vs tors. theta energy: -6.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 189 Temperature: 1.100000 Total energy: -34.553425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.553425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.553425 (E_RNA) where: Base-Base interactions energy: -12.629 where: short stacking energy: -12.629 Base-Backbone interact. energy: -0.092 local terms energy: -21.832808 where: bonds (distance) C4'-P energy: -5.145 bonds (distance) P-C4' energy: -4.731 flat angles C4'-P-C4' energy: -6.232 flat angles P-C4'-P energy: -2.226 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: 6, replica: 4 ===================================== Write number: 189 Temperature: 1.150000 Total energy: -29.938839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.938839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.938839 (E_RNA) where: Base-Base interactions energy: -10.116 where: short stacking energy: -10.116 Base-Backbone interact. energy: -0.008 local terms energy: -19.815014 where: bonds (distance) C4'-P energy: -4.570 bonds (distance) P-C4' energy: -5.674 flat angles C4'-P-C4' energy: -5.084 flat angles P-C4'-P energy: -2.102 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: 7, replica: 2 ===================================== Write number: 189 Temperature: 1.200000 Total energy: -31.530428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.530428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.530428 (E_RNA) where: Base-Base interactions energy: -7.836 where: short stacking energy: -7.836 Base-Backbone interact. energy: -0.000 local terms energy: -23.694253 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -5.020 flat angles P-C4'-P energy: -3.244 tors. eta vs tors. theta energy: -2.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 189 Temperature: 1.250000 Total energy: -32.698371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.698371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.698371 (E_RNA) where: Base-Base interactions energy: -11.465 where: short stacking energy: -11.465 Base-Backbone interact. energy: -0.008 local terms energy: -21.225801 where: bonds (distance) C4'-P energy: -5.688 bonds (distance) P-C4' energy: -4.423 flat angles C4'-P-C4' energy: -5.150 flat angles P-C4'-P energy: -3.090 tors. eta vs tors. theta energy: -2.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 189 Temperature: 1.300000 Total energy: -28.460476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.460476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.460476 (E_RNA) where: Base-Base interactions energy: -7.540 where: short stacking energy: -7.540 Base-Backbone interact. energy: -0.092 local terms energy: -20.828377 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -5.843 flat angles C4'-P-C4' energy: -5.216 flat angles P-C4'-P energy: -2.092 tors. eta vs tors. theta energy: -1.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 189 Temperature: 1.350000 Total energy: -28.514555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.514555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.514555 (E_RNA) where: Base-Base interactions energy: -8.056 where: short stacking energy: -8.056 Base-Backbone interact. energy: -0.047 local terms energy: -20.411793 where: bonds (distance) C4'-P energy: -2.731 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -3.901 flat angles P-C4'-P energy: -5.241 tors. eta vs tors. theta energy: -1.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 190 Temperature: 0.900000 Total energy: -38.772884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.772884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.772884 (E_RNA) where: Base-Base interactions energy: -15.836 where: short stacking energy: -15.836 Base-Backbone interact. energy: -0.008 local terms energy: -22.929424 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -5.941 flat angles C4'-P-C4' energy: -5.586 flat angles P-C4'-P energy: -2.757 tors. eta vs tors. theta energy: -2.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 190 Temperature: 0.950000 Total energy: -38.437208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.437208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.437208 (E_RNA) where: Base-Base interactions energy: -13.210 where: short stacking energy: -13.210 Base-Backbone interact. energy: -0.000 local terms energy: -25.227617 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -5.931 flat angles C4'-P-C4' energy: -6.253 flat angles P-C4'-P energy: -3.542 tors. eta vs tors. theta energy: -3.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 190 Temperature: 1.000000 Total energy: -39.324678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.324678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.324678 (E_RNA) where: Base-Base interactions energy: -17.385 where: short stacking energy: -17.385 Base-Backbone interact. energy: -0.000 local terms energy: -21.940017 where: bonds (distance) C4'-P energy: -4.388 bonds (distance) P-C4' energy: -5.935 flat angles C4'-P-C4' energy: -4.788 flat angles P-C4'-P energy: -3.459 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: 4, replica: 8 ===================================== Write number: 190 Temperature: 1.050000 Total energy: -34.451554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.451554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.451554 (E_RNA) where: Base-Base interactions energy: -13.260 where: short stacking energy: -13.260 Base-Backbone interact. energy: -0.096 local terms energy: -21.095331 where: bonds (distance) C4'-P energy: -6.354 bonds (distance) P-C4' energy: -5.534 flat angles C4'-P-C4' energy: -5.557 flat angles P-C4'-P energy: -2.645 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: 5, replica: 4 ===================================== Write number: 190 Temperature: 1.100000 Total energy: -37.884161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.884161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.884161 (E_RNA) where: Base-Base interactions energy: -16.554 where: short stacking energy: -16.554 Base-Backbone interact. energy: -0.000 local terms energy: -21.330102 where: bonds (distance) C4'-P energy: -3.663 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.273 flat angles P-C4'-P energy: -3.258 tors. eta vs tors. theta energy: -2.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 190 Temperature: 1.150000 Total energy: -32.731098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.731098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.731098 (E_RNA) where: Base-Base interactions energy: -9.921 where: short stacking energy: -9.921 Base-Backbone interact. energy: -0.100 local terms energy: -22.709380 where: bonds (distance) C4'-P energy: -5.484 bonds (distance) P-C4' energy: -5.582 flat angles C4'-P-C4' energy: -5.833 flat angles P-C4'-P energy: -3.923 tors. eta vs tors. theta energy: -1.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 190 Temperature: 1.200000 Total energy: -31.154241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.154241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.154241 (E_RNA) where: Base-Base interactions energy: -10.008 where: short stacking energy: -10.008 Base-Backbone interact. energy: -0.016 local terms energy: -21.130092 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -6.460 flat angles C4'-P-C4' energy: -2.751 flat angles P-C4'-P energy: -4.311 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: 8, replica: 2 ===================================== Write number: 190 Temperature: 1.250000 Total energy: -28.515260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.515260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.515260 (E_RNA) where: Base-Base interactions energy: -6.790 where: short stacking energy: -6.790 Base-Backbone interact. energy: -0.304 local terms energy: -21.420908 where: bonds (distance) C4'-P energy: -5.721 bonds (distance) P-C4' energy: -6.432 flat angles C4'-P-C4' energy: -4.654 flat angles P-C4'-P energy: -3.756 tors. eta vs tors. theta energy: -0.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 190 Temperature: 1.300000 Total energy: -31.983125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.983125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.983125 (E_RNA) where: Base-Base interactions energy: -10.780 where: short stacking energy: -10.780 Base-Backbone interact. energy: -0.000 local terms energy: -21.202628 where: bonds (distance) C4'-P energy: -5.484 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -3.700 flat angles P-C4'-P energy: -2.682 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: 10, replica: 5 ===================================== Write number: 190 Temperature: 1.350000 Total energy: -30.487629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.487629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.487629 (E_RNA) where: Base-Base interactions energy: -8.001 where: short stacking energy: -7.662 Base-Backbone interact. energy: -0.004 local terms energy: -22.482903 where: bonds (distance) C4'-P energy: -3.921 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.821 flat angles P-C4'-P energy: -3.364 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: 1, replica: 9 ===================================== Write number: 191 Temperature: 0.900000 Total energy: -40.828789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.828789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.828789 (E_RNA) where: Base-Base interactions energy: -15.206 where: short stacking energy: -15.206 Base-Backbone interact. energy: -0.001 local terms energy: -25.621134 where: bonds (distance) C4'-P energy: -4.611 bonds (distance) P-C4' energy: -5.600 flat angles C4'-P-C4' energy: -6.171 flat angles P-C4'-P energy: -4.694 tors. eta vs tors. theta energy: -4.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 191 Temperature: 0.950000 Total energy: -40.082775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.082775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.082775 (E_RNA) where: Base-Base interactions energy: -15.887 where: short stacking energy: -15.887 Base-Backbone interact. energy: -0.000 local terms energy: -24.195787 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -5.442 flat angles C4'-P-C4' energy: -5.300 flat angles P-C4'-P energy: -3.122 tors. eta vs tors. theta energy: -4.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 191 Temperature: 1.000000 Total energy: -37.412185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.412185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.412185 (E_RNA) where: Base-Base interactions energy: -12.031 where: short stacking energy: -12.031 Base-Backbone interact. energy: -0.000 local terms energy: -25.381549 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -6.013 flat angles P-C4'-P energy: -4.702 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: 4, replica: 4 ===================================== Write number: 191 Temperature: 1.050000 Total energy: -36.920134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.920134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.920134 (E_RNA) where: Base-Base interactions energy: -13.241 where: short stacking energy: -13.241 Base-Backbone interact. energy: -0.024 local terms energy: -23.655407 where: bonds (distance) C4'-P energy: -5.456 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -6.005 flat angles P-C4'-P energy: -1.772 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: 5, replica: 8 ===================================== Write number: 191 Temperature: 1.100000 Total energy: -39.131766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.131766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.131766 (E_RNA) where: Base-Base interactions energy: -13.705 where: short stacking energy: -13.705 Base-Backbone interact. energy: -0.000 local terms energy: -25.426289 where: bonds (distance) C4'-P energy: -5.775 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -6.126 flat angles P-C4'-P energy: -4.452 tors. eta vs tors. theta energy: -3.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 191 Temperature: 1.150000 Total energy: -32.538713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.538713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.538713 (E_RNA) where: Base-Base interactions energy: -10.364 where: short stacking energy: -10.364 Base-Backbone interact. energy: -0.000 local terms energy: -22.174526 where: bonds (distance) C4'-P energy: -2.532 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -5.024 flat angles P-C4'-P energy: -4.932 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: 7, replica: 6 ===================================== Write number: 191 Temperature: 1.200000 Total energy: -33.100029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.100029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.100029 (E_RNA) where: Base-Base interactions energy: -9.586 where: short stacking energy: -9.586 Base-Backbone interact. energy: -0.013 local terms energy: -23.500390 where: bonds (distance) C4'-P energy: -3.982 bonds (distance) P-C4' energy: -7.130 flat angles C4'-P-C4' energy: -5.636 flat angles P-C4'-P energy: -4.371 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: 8, replica: 1 ===================================== Write number: 191 Temperature: 1.250000 Total energy: -28.519013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.519013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.519013 (E_RNA) where: Base-Base interactions energy: -5.137 where: short stacking energy: -5.837 Base-Backbone interact. energy: -0.000 local terms energy: -23.381734 where: bonds (distance) C4'-P energy: -4.595 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -5.884 flat angles P-C4'-P energy: -5.064 tors. eta vs tors. theta energy: -1.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 191 Temperature: 1.300000 Total energy: -28.453945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.453945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.453945 (E_RNA) where: Base-Base interactions energy: -8.254 where: short stacking energy: -7.426 Base-Backbone interact. energy: -0.273 local terms energy: -19.926659 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -5.833 flat angles C4'-P-C4' energy: -1.707 flat angles P-C4'-P energy: -4.872 tors. eta vs tors. theta energy: -1.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 191 Temperature: 1.350000 Total energy: -27.990651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.990651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.990651 (E_RNA) where: Base-Base interactions energy: -9.104 where: short stacking energy: -9.104 Base-Backbone interact. energy: -0.006 local terms energy: -18.880594 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -4.914 flat angles C4'-P-C4' energy: -5.976 flat angles P-C4'-P energy: -1.875 tors. eta vs tors. theta energy: -0.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 192 Temperature: 0.900000 Total energy: -39.344342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.344342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.344342 (E_RNA) where: Base-Base interactions energy: -15.106 where: short stacking energy: -15.106 Base-Backbone interact. energy: -0.010 local terms energy: -24.227734 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -4.866 flat angles P-C4'-P energy: -3.238 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: 2, replica: 9 ===================================== Write number: 192 Temperature: 0.950000 Total energy: -40.213216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.213216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.213216 (E_RNA) where: Base-Base interactions energy: -15.081 where: short stacking energy: -15.081 Base-Backbone interact. energy: -0.067 local terms energy: -25.065429 where: bonds (distance) C4'-P energy: -5.473 bonds (distance) P-C4' energy: -5.202 flat angles C4'-P-C4' energy: -5.422 flat angles P-C4'-P energy: -4.972 tors. eta vs tors. theta energy: -3.996 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: 3, replica: 4 ===================================== Write number: 192 Temperature: 1.000000 Total energy: -35.598380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.598380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.598380 (E_RNA) where: Base-Base interactions energy: -15.587 where: short stacking energy: -15.587 Base-Backbone interact. energy: -0.000 local terms energy: -20.011516 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -4.656 flat angles C4'-P-C4' energy: -4.434 flat angles P-C4'-P energy: -2.184 tors. eta vs tors. theta energy: -2.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 192 Temperature: 1.050000 Total energy: -37.295765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.295765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.295765 (E_RNA) where: Base-Base interactions energy: -13.577 where: short stacking energy: -13.577 Base-Backbone interact. energy: -0.000 local terms energy: -23.718666 where: bonds (distance) C4'-P energy: -4.694 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -5.993 flat angles P-C4'-P energy: -4.015 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: 7 ===================================== Write number: 192 Temperature: 1.100000 Total energy: -37.570163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.570163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.570163 (E_RNA) where: Base-Base interactions energy: -13.387 where: short stacking energy: -13.387 Base-Backbone interact. energy: -0.000 local terms energy: -24.182919 where: bonds (distance) C4'-P energy: -6.006 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -6.042 flat angles P-C4'-P energy: -4.061 tors. eta vs tors. theta energy: -1.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 192 Temperature: 1.150000 Total energy: -35.031507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.031507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.031507 (E_RNA) where: Base-Base interactions energy: -15.160 where: short stacking energy: -15.160 Base-Backbone interact. energy: -0.001 local terms energy: -19.869792 where: bonds (distance) C4'-P energy: -4.383 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.287 flat angles P-C4'-P energy: -1.988 tors. eta vs tors. theta energy: -1.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 192 Temperature: 1.200000 Total energy: -37.364517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.364517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.364517 (E_RNA) where: Base-Base interactions energy: -13.804 where: short stacking energy: -13.804 Base-Backbone interact. energy: 0.295 local terms energy: -23.855336 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -2.996 flat angles C4'-P-C4' energy: -4.516 flat angles P-C4'-P energy: -4.429 tors. eta vs tors. theta energy: -5.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 192 Temperature: 1.250000 Total energy: -27.032534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.032534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.032534 (E_RNA) where: Base-Base interactions energy: -6.503 where: short stacking energy: -6.503 Base-Backbone interact. energy: -0.000 local terms energy: -20.529076 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -4.558 flat angles P-C4'-P energy: -2.500 tors. eta vs tors. theta energy: -1.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 192 Temperature: 1.300000 Total energy: -33.140275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.140275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.140275 (E_RNA) where: Base-Base interactions energy: -11.732 where: short stacking energy: -11.732 Base-Backbone interact. energy: -0.001 local terms energy: -21.407188 where: bonds (distance) C4'-P energy: -4.380 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -4.976 flat angles P-C4'-P energy: -3.583 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: 10, replica: 2 ===================================== Write number: 192 Temperature: 1.350000 Total energy: -30.307919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.307919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.307919 (E_RNA) where: Base-Base interactions energy: -10.684 where: short stacking energy: -10.684 Base-Backbone interact. energy: -0.046 local terms energy: -19.578747 where: bonds (distance) C4'-P energy: -3.841 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -5.268 flat angles P-C4'-P energy: -1.525 tors. eta vs tors. theta energy: -2.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 193 Temperature: 0.900000 Total energy: -41.219855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.219855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.219855 (E_RNA) where: Base-Base interactions energy: -18.741 where: short stacking energy: -18.741 Base-Backbone interact. energy: -0.040 local terms energy: -22.439436 where: bonds (distance) C4'-P energy: -4.748 bonds (distance) P-C4' energy: -5.570 flat angles C4'-P-C4' energy: -5.223 flat angles P-C4'-P energy: -3.137 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: 2, replica: 4 ===================================== Write number: 193 Temperature: 0.950000 Total energy: -37.978240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.978240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.978240 (E_RNA) where: Base-Base interactions energy: -11.928 where: short stacking energy: -11.928 Base-Backbone interact. energy: 0.406 local terms energy: -26.456257 where: bonds (distance) C4'-P energy: -5.411 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -5.299 flat angles P-C4'-P energy: -3.921 tors. eta vs tors. theta energy: -5.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 193 Temperature: 1.000000 Total energy: -36.850166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.850166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.850166 (E_RNA) where: Base-Base interactions energy: -13.673 where: short stacking energy: -13.673 Base-Backbone interact. energy: -0.004 local terms energy: -23.173302 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -5.931 flat angles C4'-P-C4' energy: -5.421 flat angles P-C4'-P energy: -3.957 tors. eta vs tors. theta energy: -1.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 193 Temperature: 1.050000 Total energy: -38.387587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.387587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.387587 (E_RNA) where: Base-Base interactions energy: -13.521 where: short stacking energy: -13.521 Base-Backbone interact. energy: -0.005 local terms energy: -24.861599 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -6.504 flat angles P-C4'-P energy: -4.445 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: 5, replica: 3 ===================================== Write number: 193 Temperature: 1.100000 Total energy: -31.898506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.898506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.898506 (E_RNA) where: Base-Base interactions energy: -9.723 where: short stacking energy: -9.723 Base-Backbone interact. energy: -0.003 local terms energy: -22.173149 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -4.653 flat angles C4'-P-C4' energy: -6.448 flat angles P-C4'-P energy: -4.661 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: 6, replica: 1 ===================================== Write number: 193 Temperature: 1.150000 Total energy: -31.600428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.600428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.600428 (E_RNA) where: Base-Base interactions energy: -7.186 where: short stacking energy: -7.186 Base-Backbone interact. energy: 0.076 local terms energy: -24.490837 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -6.097 flat angles C4'-P-C4' energy: -4.698 flat angles P-C4'-P energy: -3.547 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: 7, replica: 8 ===================================== Write number: 193 Temperature: 1.200000 Total energy: -32.376917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.376917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.376917 (E_RNA) where: Base-Base interactions energy: -10.676 where: short stacking energy: -10.676 Base-Backbone interact. energy: -0.055 local terms energy: -21.645611 where: bonds (distance) C4'-P energy: -4.835 bonds (distance) P-C4' energy: -3.377 flat angles C4'-P-C4' energy: -5.784 flat angles P-C4'-P energy: -4.765 tors. eta vs tors. theta energy: -2.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 193 Temperature: 1.250000 Total energy: -30.144861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.144861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.144861 (E_RNA) where: Base-Base interactions energy: -6.748 where: short stacking energy: -6.748 Base-Backbone interact. energy: -0.101 local terms energy: -23.295722 where: bonds (distance) C4'-P energy: -6.354 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.713 flat angles P-C4'-P energy: -4.075 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: 9, replica: 6 ===================================== Write number: 193 Temperature: 1.300000 Total energy: -27.643854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.643854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.643854 (E_RNA) where: Base-Base interactions energy: -6.676 where: short stacking energy: -7.045 Base-Backbone interact. energy: -0.009 local terms energy: -20.958905 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -4.815 flat angles P-C4'-P energy: -2.828 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: 10, replica: 2 ===================================== Write number: 193 Temperature: 1.350000 Total energy: -29.330117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.330117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.330117 (E_RNA) where: Base-Base interactions energy: -7.752 where: short stacking energy: -7.752 Base-Backbone interact. energy: -0.071 local terms energy: -21.506811 where: bonds (distance) C4'-P energy: -4.748 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -4.637 flat angles P-C4'-P energy: -3.597 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: 1, replica: 4 ===================================== Write number: 194 Temperature: 0.900000 Total energy: -42.535236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.535236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.535236 (E_RNA) where: Base-Base interactions energy: -13.269 where: short stacking energy: -13.269 Base-Backbone interact. energy: -0.000 local terms energy: -29.265949 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -6.593 flat angles P-C4'-P energy: -4.142 tors. eta vs tors. theta energy: -5.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 194 Temperature: 0.950000 Total energy: -39.256377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.256377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.256377 (E_RNA) where: Base-Base interactions energy: -13.838 where: short stacking energy: -13.838 Base-Backbone interact. energy: -0.016 local terms energy: -25.402359 where: bonds (distance) C4'-P energy: -6.453 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -5.981 flat angles P-C4'-P energy: -2.565 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: 3, replica: 7 ===================================== Write number: 194 Temperature: 1.000000 Total energy: -37.807715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.807715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.807715 (E_RNA) where: Base-Base interactions energy: -16.933 where: short stacking energy: -16.933 Base-Backbone interact. energy: -0.000 local terms energy: -20.874440 where: bonds (distance) C4'-P energy: -4.864 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -3.344 flat angles P-C4'-P energy: -2.515 tors. eta vs tors. theta energy: -3.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 194 Temperature: 1.050000 Total energy: -33.309852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.309852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.309852 (E_RNA) where: Base-Base interactions energy: -10.670 where: short stacking energy: -10.670 Base-Backbone interact. energy: -0.000 local terms energy: -22.639943 where: bonds (distance) C4'-P energy: -5.696 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -4.225 flat angles P-C4'-P energy: -4.256 tors. eta vs tors. theta energy: -2.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 194 Temperature: 1.100000 Total energy: -36.204983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.204983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.204983 (E_RNA) where: Base-Base interactions energy: -12.639 where: short stacking energy: -12.639 Base-Backbone interact. energy: -0.009 local terms energy: -23.556540 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.457 flat angles C4'-P-C4' energy: -4.995 flat angles P-C4'-P energy: -3.255 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: 6, replica: 3 ===================================== Write number: 194 Temperature: 1.150000 Total energy: -35.450368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.450368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.450368 (E_RNA) where: Base-Base interactions energy: -13.740 where: short stacking energy: -13.740 Base-Backbone interact. energy: -0.000 local terms energy: -21.710408 where: bonds (distance) C4'-P energy: -5.427 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -5.875 flat angles P-C4'-P energy: -4.712 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: 7, replica: 5 ===================================== Write number: 194 Temperature: 1.200000 Total energy: -28.298157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.298157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.298157 (E_RNA) where: Base-Base interactions energy: -6.920 where: short stacking energy: -6.920 Base-Backbone interact. energy: -0.000 local terms energy: -21.377589 where: bonds (distance) C4'-P energy: -5.572 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -4.104 flat angles P-C4'-P energy: -2.943 tors. eta vs tors. theta energy: -2.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 194 Temperature: 1.250000 Total energy: -29.900074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.900074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.900074 (E_RNA) where: Base-Base interactions energy: -6.414 where: short stacking energy: -6.414 Base-Backbone interact. energy: -0.123 local terms energy: -23.363527 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -6.204 flat angles P-C4'-P energy: -4.035 tors. eta vs tors. theta energy: -0.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 194 Temperature: 1.300000 Total energy: -34.924059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.924059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.924059 (E_RNA) where: Base-Base interactions energy: -9.891 where: short stacking energy: -9.891 Base-Backbone interact. energy: -0.027 local terms energy: -25.006177 where: bonds (distance) C4'-P energy: -4.851 bonds (distance) P-C4' energy: -5.702 flat angles C4'-P-C4' energy: -6.273 flat angles P-C4'-P energy: -4.132 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: 10, replica: 6 ===================================== Write number: 194 Temperature: 1.350000 Total energy: -27.994011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.994011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.994011 (E_RNA) where: Base-Base interactions energy: -5.644 where: short stacking energy: -5.644 Base-Backbone interact. energy: -0.003 local terms energy: -22.346722 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -4.781 flat angles P-C4'-P energy: -5.307 tors. eta vs tors. theta energy: 0.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 195 Temperature: 0.900000 Total energy: -41.918783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.918783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.918783 (E_RNA) where: Base-Base interactions energy: -14.067 where: short stacking energy: -14.067 Base-Backbone interact. energy: -0.000 local terms energy: -27.851418 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -6.607 flat angles P-C4'-P energy: -5.203 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: 7 ===================================== Write number: 195 Temperature: 0.950000 Total energy: -38.250084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.250084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.250084 (E_RNA) where: Base-Base interactions energy: -14.707 where: short stacking energy: -14.707 Base-Backbone interact. energy: -0.000 local terms energy: -23.542873 where: bonds (distance) C4'-P energy: -4.691 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -6.647 flat angles P-C4'-P energy: -3.839 tors. eta vs tors. theta energy: -1.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 195 Temperature: 1.000000 Total energy: -40.727365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.727365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.727365 (E_RNA) where: Base-Base interactions energy: -16.528 where: short stacking energy: -16.528 Base-Backbone interact. energy: -0.000 local terms energy: -24.199338 where: bonds (distance) C4'-P energy: -5.651 bonds (distance) P-C4' energy: -5.150 flat angles C4'-P-C4' energy: -5.072 flat angles P-C4'-P energy: -3.250 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: 4, replica: 1 ===================================== Write number: 195 Temperature: 1.050000 Total energy: -32.827268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.827268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.827268 (E_RNA) where: Base-Base interactions energy: -8.956 where: short stacking energy: -8.956 Base-Backbone interact. energy: -0.928 local terms energy: -22.943760 where: bonds (distance) C4'-P energy: -5.253 bonds (distance) P-C4' energy: -5.576 flat angles C4'-P-C4' energy: -4.916 flat angles P-C4'-P energy: -5.076 tors. eta vs tors. theta energy: -2.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 195 Temperature: 1.100000 Total energy: -38.180966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.180966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.180966 (E_RNA) where: Base-Base interactions energy: -13.868 where: short stacking energy: -13.868 Base-Backbone interact. energy: -0.000 local terms energy: -24.313376 where: bonds (distance) C4'-P energy: -4.036 bonds (distance) P-C4' energy: -5.572 flat angles C4'-P-C4' energy: -5.331 flat angles P-C4'-P energy: -4.775 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: 6, replica: 5 ===================================== Write number: 195 Temperature: 1.150000 Total energy: -32.314755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.314755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.314755 (E_RNA) where: Base-Base interactions energy: -10.402 where: short stacking energy: -10.402 Base-Backbone interact. energy: -0.000 local terms energy: -21.913203 where: bonds (distance) C4'-P energy: -2.996 bonds (distance) P-C4' energy: -4.172 flat angles C4'-P-C4' energy: -4.915 flat angles P-C4'-P energy: -4.109 tors. eta vs tors. theta energy: -5.721 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: 195 Temperature: 1.200000 Total energy: -30.131866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.131866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.131866 (E_RNA) where: Base-Base interactions energy: -8.060 where: short stacking energy: -8.060 Base-Backbone interact. energy: -0.000 local terms energy: -22.071887 where: bonds (distance) C4'-P energy: -4.872 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -5.566 flat angles P-C4'-P energy: -3.521 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: 8, replica: 2 ===================================== Write number: 195 Temperature: 1.250000 Total energy: -31.546265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.546265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.546265 (E_RNA) where: Base-Base interactions energy: -10.008 where: short stacking energy: -10.008 Base-Backbone interact. energy: -0.000 local terms energy: -21.537807 where: bonds (distance) C4'-P energy: -5.650 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -3.925 flat angles P-C4'-P energy: -2.337 tors. eta vs tors. theta energy: -2.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 195 Temperature: 1.300000 Total energy: -32.016462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.016462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.016462 (E_RNA) where: Base-Base interactions energy: -7.764 where: short stacking energy: -7.764 Base-Backbone interact. energy: -0.094 local terms energy: -24.158674 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.873 flat angles C4'-P-C4' energy: -5.495 flat angles P-C4'-P energy: -3.975 tors. eta vs tors. theta energy: -1.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 195 Temperature: 1.350000 Total energy: -31.231866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.231866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.231866 (E_RNA) where: Base-Base interactions energy: -12.538 where: short stacking energy: -12.538 Base-Backbone interact. energy: 0.378 local terms energy: -19.071967 where: bonds (distance) C4'-P energy: -4.694 bonds (distance) P-C4' energy: -4.914 flat angles C4'-P-C4' energy: -4.781 flat angles P-C4'-P energy: -3.107 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: 1, replica: 7 ===================================== Write number: 196 Temperature: 0.900000 Total energy: -41.498203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.498203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.498203 (E_RNA) where: Base-Base interactions energy: -14.927 where: short stacking energy: -14.927 Base-Backbone interact. energy: -0.006 local terms energy: -26.565693 where: bonds (distance) C4'-P energy: -4.673 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -5.975 flat angles P-C4'-P energy: -4.460 tors. eta vs tors. theta energy: -4.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 196 Temperature: 0.950000 Total energy: -39.870230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.870230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.870230 (E_RNA) where: Base-Base interactions energy: -14.054 where: short stacking energy: -14.054 Base-Backbone interact. energy: -0.000 local terms energy: -25.815965 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -4.165 flat angles C4'-P-C4' energy: -5.794 flat angles P-C4'-P energy: -3.037 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: 1 ===================================== Write number: 196 Temperature: 1.000000 Total energy: -40.262231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.262231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.262231 (E_RNA) where: Base-Base interactions energy: -12.560 where: short stacking energy: -12.560 Base-Backbone interact. energy: -0.000 local terms energy: -27.702229 where: bonds (distance) C4'-P energy: -6.453 bonds (distance) P-C4' energy: -6.351 flat angles C4'-P-C4' energy: -4.749 flat angles P-C4'-P energy: -4.867 tors. eta vs tors. theta energy: -5.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 196 Temperature: 1.050000 Total energy: -34.091507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.091507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.091507 (E_RNA) where: Base-Base interactions energy: -15.113 where: short stacking energy: -15.113 Base-Backbone interact. energy: -0.000 local terms energy: -18.978135 where: bonds (distance) C4'-P energy: -3.572 bonds (distance) P-C4' energy: -6.389 flat angles C4'-P-C4' energy: -2.624 flat angles P-C4'-P energy: -4.150 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: 5 ===================================== Write number: 196 Temperature: 1.100000 Total energy: -38.836291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.836291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.836291 (E_RNA) where: Base-Base interactions energy: -12.954 where: short stacking energy: -12.954 Base-Backbone interact. energy: -0.134 local terms energy: -25.747508 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -6.661 flat angles P-C4'-P energy: -4.559 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: 6, replica: 9 ===================================== Write number: 196 Temperature: 1.150000 Total energy: -39.305811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.305811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.305811 (E_RNA) where: Base-Base interactions energy: -16.461 where: short stacking energy: -16.461 Base-Backbone interact. energy: -0.000 local terms energy: -22.844629 where: bonds (distance) C4'-P energy: -5.866 bonds (distance) P-C4' energy: -5.413 flat angles C4'-P-C4' energy: -5.269 flat angles P-C4'-P energy: -0.426 tors. eta vs tors. theta energy: -5.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 196 Temperature: 1.200000 Total energy: -35.249793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.249793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.249793 (E_RNA) where: Base-Base interactions energy: -11.839 where: short stacking energy: -11.839 Base-Backbone interact. energy: -0.000 local terms energy: -23.410307 where: bonds (distance) C4'-P energy: -4.383 bonds (distance) P-C4' energy: -5.205 flat angles C4'-P-C4' energy: -3.700 flat angles P-C4'-P energy: -4.452 tors. eta vs tors. theta energy: -5.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 196 Temperature: 1.250000 Total energy: -32.562525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.562525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.562525 (E_RNA) where: Base-Base interactions energy: -10.760 where: short stacking energy: -10.760 Base-Backbone interact. energy: -0.007 local terms energy: -21.795912 where: bonds (distance) C4'-P energy: -5.572 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -4.830 flat angles P-C4'-P energy: -3.633 tors. eta vs tors. theta energy: -1.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 196 Temperature: 1.300000 Total energy: -32.908076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.908076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.908076 (E_RNA) where: Base-Base interactions energy: -8.916 where: short stacking energy: -8.916 Base-Backbone interact. energy: -0.009 local terms energy: -23.982673 where: bonds (distance) C4'-P energy: -5.411 bonds (distance) P-C4' energy: -6.625 flat angles C4'-P-C4' energy: -3.287 flat angles P-C4'-P energy: -4.055 tors. eta vs tors. theta energy: -4.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 196 Temperature: 1.350000 Total energy: -30.562077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.562077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.562077 (E_RNA) where: Base-Base interactions energy: -5.188 where: short stacking energy: -5.588 Base-Backbone interact. energy: -0.014 local terms energy: -25.360550 where: bonds (distance) C4'-P energy: -5.278 bonds (distance) P-C4' energy: -6.407 flat angles C4'-P-C4' energy: -4.911 flat angles P-C4'-P energy: -3.647 tors. eta vs tors. theta energy: -5.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 197 Temperature: 0.900000 Total energy: -42.288308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.288308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.288308 (E_RNA) where: Base-Base interactions energy: -14.607 where: short stacking energy: -14.607 Base-Backbone interact. energy: -0.000 local terms energy: -27.681375 where: bonds (distance) C4'-P energy: -4.247 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -6.044 flat angles P-C4'-P energy: -4.973 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: 1 ===================================== Write number: 197 Temperature: 0.950000 Total energy: -45.666669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.666669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.666669 (E_RNA) where: Base-Base interactions energy: -16.715 where: short stacking energy: -16.715 Base-Backbone interact. energy: -0.000 local terms energy: -28.951989 where: bonds (distance) C4'-P energy: -6.470 bonds (distance) P-C4' energy: -6.382 flat angles C4'-P-C4' energy: -6.290 flat angles P-C4'-P energy: -4.922 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: 3, replica: 4 ===================================== Write number: 197 Temperature: 1.000000 Total energy: -41.877623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.877623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.877623 (E_RNA) where: Base-Base interactions energy: -17.062 where: short stacking energy: -17.062 Base-Backbone interact. energy: -0.000 local terms energy: -24.815994 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -6.118 flat angles C4'-P-C4' energy: -1.475 flat angles P-C4'-P energy: -4.411 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: 4, replica: 10 ===================================== Write number: 197 Temperature: 1.050000 Total energy: -36.421673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.421673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.421673 (E_RNA) where: Base-Base interactions energy: -13.548 where: short stacking energy: -13.548 Base-Backbone interact. energy: -0.010 local terms energy: -22.863663 where: bonds (distance) C4'-P energy: -4.880 bonds (distance) P-C4' energy: -3.962 flat angles C4'-P-C4' energy: -3.925 flat angles P-C4'-P energy: -4.176 tors. eta vs tors. theta energy: -5.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 197 Temperature: 1.100000 Total energy: -35.457249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.457249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.457249 (E_RNA) where: Base-Base interactions energy: -11.375 where: short stacking energy: -11.375 Base-Backbone interact. energy: -0.001 local terms energy: -24.080780 where: bonds (distance) C4'-P energy: -4.951 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -6.029 flat angles P-C4'-P energy: -2.609 tors. eta vs tors. theta energy: -4.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 197 Temperature: 1.150000 Total energy: -35.216039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.216039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.216039 (E_RNA) where: Base-Base interactions energy: -14.639 where: short stacking energy: -14.639 Base-Backbone interact. energy: -0.000 local terms energy: -20.577459 where: bonds (distance) C4'-P energy: -4.863 bonds (distance) P-C4' energy: -6.389 flat angles C4'-P-C4' energy: -3.249 flat angles P-C4'-P energy: -2.484 tors. eta vs tors. theta energy: -3.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 197 Temperature: 1.200000 Total energy: -30.221113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.221113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.221113 (E_RNA) where: Base-Base interactions energy: -6.384 where: short stacking energy: -5.687 Base-Backbone interact. energy: -0.011 local terms energy: -23.826394 where: bonds (distance) C4'-P energy: -5.456 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -5.598 flat angles P-C4'-P energy: -4.798 tors. eta vs tors. theta energy: -1.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 197 Temperature: 1.250000 Total energy: -34.177079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.177079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.177079 (E_RNA) where: Base-Base interactions energy: -8.890 where: short stacking energy: -8.890 Base-Backbone interact. energy: -0.001 local terms energy: -25.285994 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -5.192 flat angles P-C4'-P energy: -4.938 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: 9, replica: 3 ===================================== Write number: 197 Temperature: 1.300000 Total energy: -31.475870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.475870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.475870 (E_RNA) where: Base-Base interactions energy: -9.687 where: short stacking energy: -9.687 Base-Backbone interact. energy: -0.045 local terms energy: -21.744541 where: bonds (distance) C4'-P energy: -6.044 bonds (distance) P-C4' energy: -5.150 flat angles C4'-P-C4' energy: -4.919 flat angles P-C4'-P energy: -1.852 tors. eta vs tors. theta energy: -3.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 197 Temperature: 1.350000 Total energy: -30.405447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.405447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.405447 (E_RNA) where: Base-Base interactions energy: -10.598 where: short stacking energy: -10.598 Base-Backbone interact. energy: -0.067 local terms energy: -19.740077 where: bonds (distance) C4'-P energy: -4.690 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -4.476 flat angles P-C4'-P energy: -2.468 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: 1 ===================================== Write number: 198 Temperature: 0.900000 Total energy: -38.155941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.155941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.155941 (E_RNA) where: Base-Base interactions energy: -12.758 where: short stacking energy: -12.758 Base-Backbone interact. energy: -0.098 local terms energy: -25.300375 where: bonds (distance) C4'-P energy: -6.354 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -5.340 flat angles P-C4'-P energy: -4.289 tors. eta vs tors. theta energy: -3.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 198 Temperature: 0.950000 Total energy: -38.100197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.100197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.100197 (E_RNA) where: Base-Base interactions energy: -16.801 where: short stacking energy: -16.801 Base-Backbone interact. energy: -0.015 local terms energy: -21.284701 where: bonds (distance) C4'-P energy: -5.021 bonds (distance) P-C4' energy: -6.199 flat angles C4'-P-C4' energy: -4.934 flat angles P-C4'-P energy: -3.659 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: 3, replica: 10 ===================================== Write number: 198 Temperature: 1.000000 Total energy: -38.120676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.120676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.120676 (E_RNA) where: Base-Base interactions energy: -13.564 where: short stacking energy: -13.564 Base-Backbone interact. energy: -0.001 local terms energy: -24.555802 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -5.688 flat angles P-C4'-P energy: -2.812 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: 4, replica: 4 ===================================== Write number: 198 Temperature: 1.050000 Total energy: -35.137830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.137830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.137830 (E_RNA) where: Base-Base interactions energy: -13.650 where: short stacking energy: -13.650 Base-Backbone interact. energy: -0.048 local terms energy: -21.439977 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -5.843 flat angles C4'-P-C4' energy: -4.381 flat angles P-C4'-P energy: -3.211 tors. eta vs tors. theta energy: -1.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 198 Temperature: 1.100000 Total energy: -33.378869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.378869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.378869 (E_RNA) where: Base-Base interactions energy: -11.123 where: short stacking energy: -11.123 Base-Backbone interact. energy: -0.000 local terms energy: -22.255981 where: bonds (distance) C4'-P energy: -4.756 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -5.846 flat angles P-C4'-P energy: -3.279 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: 6, replica: 5 ===================================== Write number: 198 Temperature: 1.150000 Total energy: -35.891889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.891889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.891889 (E_RNA) where: Base-Base interactions energy: -11.869 where: short stacking energy: -11.869 Base-Backbone interact. energy: -0.000 local terms energy: -24.022669 where: bonds (distance) C4'-P energy: -6.105 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -5.676 flat angles P-C4'-P energy: -3.041 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: 7, replica: 6 ===================================== Write number: 198 Temperature: 1.200000 Total energy: -34.828599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.828599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.828599 (E_RNA) where: Base-Base interactions energy: -13.980 where: short stacking energy: -13.980 Base-Backbone interact. energy: -0.018 local terms energy: -20.830178 where: bonds (distance) C4'-P energy: -4.880 bonds (distance) P-C4' energy: -3.963 flat angles C4'-P-C4' energy: -4.984 flat angles P-C4'-P energy: -4.216 tors. eta vs tors. theta energy: -2.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 198 Temperature: 1.250000 Total energy: -30.293776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.293776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.293776 (E_RNA) where: Base-Base interactions energy: -9.783 where: short stacking energy: -9.783 Base-Backbone interact. energy: -0.092 local terms energy: -20.418740 where: bonds (distance) C4'-P energy: -3.311 bonds (distance) P-C4' energy: -6.199 flat angles C4'-P-C4' energy: -6.536 flat angles P-C4'-P energy: -2.970 tors. eta vs tors. theta energy: -1.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 198 Temperature: 1.300000 Total energy: -28.881275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.881275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.881275 (E_RNA) where: Base-Base interactions energy: -7.463 where: short stacking energy: -7.463 Base-Backbone interact. energy: -1.017 local terms energy: -20.400611 where: bonds (distance) C4'-P energy: -5.100 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -6.053 flat angles P-C4'-P energy: -3.911 tors. eta vs tors. theta energy: -0.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 198 Temperature: 1.350000 Total energy: -33.211213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.211213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.211213 (E_RNA) where: Base-Base interactions energy: -12.598 where: short stacking energy: -12.598 Base-Backbone interact. energy: -0.008 local terms energy: -20.605400 where: bonds (distance) C4'-P energy: -3.833 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -5.461 flat angles P-C4'-P energy: -4.608 tors. eta vs tors. theta energy: -0.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 199 Temperature: 0.900000 Total energy: -41.535630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.535630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.535630 (E_RNA) where: Base-Base interactions energy: -18.019 where: short stacking energy: -18.019 Base-Backbone interact. energy: -0.000 local terms energy: -23.517086 where: bonds (distance) C4'-P energy: -5.207 bonds (distance) P-C4' energy: -4.649 flat angles C4'-P-C4' energy: -6.156 flat angles P-C4'-P energy: -4.455 tors. eta vs tors. theta energy: -3.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 199 Temperature: 0.950000 Total energy: -41.304296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.304296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.304296 (E_RNA) where: Base-Base interactions energy: -13.003 where: short stacking energy: -13.003 Base-Backbone interact. energy: -0.000 local terms energy: -28.301332 where: bonds (distance) C4'-P energy: -5.572 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.915 flat angles P-C4'-P energy: -3.479 tors. eta vs tors. theta energy: -6.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 199 Temperature: 1.000000 Total energy: -38.531446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.531446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.531446 (E_RNA) where: Base-Base interactions energy: -13.547 where: short stacking energy: -13.547 Base-Backbone interact. energy: -0.005 local terms energy: -24.979423 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -5.833 flat angles P-C4'-P energy: -3.495 tors. eta vs tors. theta energy: -3.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 199 Temperature: 1.050000 Total energy: -37.269738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.269738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.269738 (E_RNA) where: Base-Base interactions energy: -16.119 where: short stacking energy: -16.119 Base-Backbone interact. energy: -0.000 local terms energy: -21.150754 where: bonds (distance) C4'-P energy: -4.044 bonds (distance) P-C4' energy: -6.407 flat angles C4'-P-C4' energy: -4.702 flat angles P-C4'-P energy: -2.574 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: 5, replica: 4 ===================================== Write number: 199 Temperature: 1.100000 Total energy: -33.989422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.989422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.989422 (E_RNA) where: Base-Base interactions energy: -12.477 where: short stacking energy: -12.477 Base-Backbone interact. energy: -0.099 local terms energy: -21.413528 where: bonds (distance) C4'-P energy: -1.891 bonds (distance) P-C4' energy: -5.833 flat angles C4'-P-C4' energy: -6.470 flat angles P-C4'-P energy: -4.551 tors. eta vs tors. theta energy: -2.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 199 Temperature: 1.150000 Total energy: -34.734259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.734259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.734259 (E_RNA) where: Base-Base interactions energy: -12.552 where: short stacking energy: -12.552 Base-Backbone interact. energy: -0.029 local terms energy: -22.152997 where: bonds (distance) C4'-P energy: -3.447 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -4.860 flat angles P-C4'-P energy: -3.773 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: 7, replica: 6 ===================================== Write number: 199 Temperature: 1.200000 Total energy: -31.508666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.508666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.508666 (E_RNA) where: Base-Base interactions energy: -11.768 where: short stacking energy: -11.768 Base-Backbone interact. energy: -0.001 local terms energy: -19.740043 where: bonds (distance) C4'-P energy: -5.998 bonds (distance) P-C4' energy: -5.534 flat angles C4'-P-C4' energy: -4.826 flat angles P-C4'-P energy: -3.343 tors. eta vs tors. theta energy: -0.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 199 Temperature: 1.250000 Total energy: -34.944471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.944471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.944471 (E_RNA) where: Base-Base interactions energy: -11.592 where: short stacking energy: -11.592 Base-Backbone interact. energy: -0.000 local terms energy: -23.352048 where: bonds (distance) C4'-P energy: -4.221 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -6.763 flat angles P-C4'-P energy: -4.418 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: 9, replica: 8 ===================================== Write number: 199 Temperature: 1.300000 Total energy: -26.784625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.784625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.784625 (E_RNA) where: Base-Base interactions energy: -2.347 where: short stacking energy: -2.347 Base-Backbone interact. energy: -0.001 local terms energy: -24.436625 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -6.432 flat angles C4'-P-C4' energy: -4.586 flat angles P-C4'-P energy: -3.256 tors. eta vs tors. theta energy: -4.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 199 Temperature: 1.350000 Total energy: -29.011454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.011454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.011454 (E_RNA) where: Base-Base interactions energy: -7.809 where: short stacking energy: -7.809 Base-Backbone interact. energy: -0.180 local terms energy: -21.022494 where: bonds (distance) C4'-P energy: -5.199 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -4.833 flat angles P-C4'-P energy: -4.784 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: 1, replica: 10 ===================================== Write number: 200 Temperature: 0.900000 Total energy: -35.459822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.459822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.459822 (E_RNA) where: Base-Base interactions energy: -13.054 where: short stacking energy: -13.054 Base-Backbone interact. energy: -0.001 local terms energy: -22.404518 where: bonds (distance) C4'-P energy: -5.766 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -6.010 flat angles P-C4'-P energy: -3.362 tors. eta vs tors. theta energy: -0.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 200 Temperature: 0.950000 Total energy: -38.541134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.541134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.541134 (E_RNA) where: Base-Base interactions energy: -12.451 where: short stacking energy: -12.451 Base-Backbone interact. energy: -0.086 local terms energy: -26.004320 where: bonds (distance) C4'-P energy: -5.402 bonds (distance) P-C4' energy: -7.147 flat angles C4'-P-C4' energy: -5.838 flat angles P-C4'-P energy: -4.028 tors. eta vs tors. theta energy: -3.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 200 Temperature: 1.000000 Total energy: -37.807615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.807615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.807615 (E_RNA) where: Base-Base interactions energy: -12.886 where: short stacking energy: -12.886 Base-Backbone interact. energy: -0.000 local terms energy: -24.921806 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -5.033 flat angles P-C4'-P energy: -3.961 tors. eta vs tors. theta energy: -3.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 200 Temperature: 1.050000 Total energy: -36.992297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.992297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.992297 (E_RNA) where: Base-Base interactions energy: -12.984 where: short stacking energy: -12.984 Base-Backbone interact. energy: -0.000 local terms energy: -24.008365 where: bonds (distance) C4'-P energy: -3.974 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -6.327 flat angles P-C4'-P energy: -3.830 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: 5, replica: 5 ===================================== Write number: 200 Temperature: 1.100000 Total energy: -32.627095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.627095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.627095 (E_RNA) where: Base-Base interactions energy: -9.836 where: short stacking energy: -9.836 Base-Backbone interact. energy: -0.000 local terms energy: -22.790628 where: bonds (distance) C4'-P energy: -5.535 bonds (distance) P-C4' energy: -6.174 flat angles C4'-P-C4' energy: -5.273 flat angles P-C4'-P energy: -2.470 tors. eta vs tors. theta energy: -3.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 200 Temperature: 1.150000 Total energy: -31.259468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.259468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.259468 (E_RNA) where: Base-Base interactions energy: -10.127 where: short stacking energy: -10.127 Base-Backbone interact. energy: -0.037 local terms energy: -21.095245 where: bonds (distance) C4'-P energy: -5.340 bonds (distance) P-C4' energy: -5.723 flat angles C4'-P-C4' energy: -5.525 flat angles P-C4'-P energy: -2.127 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: 9 ===================================== Write number: 200 Temperature: 1.200000 Total energy: -31.587167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.587167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.587167 (E_RNA) where: Base-Base interactions energy: -11.845 where: short stacking energy: -11.845 Base-Backbone interact. energy: -0.001 local terms energy: -19.741248 where: bonds (distance) C4'-P energy: -3.468 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -3.035 flat angles P-C4'-P energy: -4.164 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: 8, replica: 6 ===================================== Write number: 200 Temperature: 1.250000 Total energy: -32.109286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.109286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.109286 (E_RNA) where: Base-Base interactions energy: -13.594 where: short stacking energy: -13.594 Base-Backbone interact. energy: -0.000 local terms energy: -18.515611 where: bonds (distance) C4'-P energy: -3.423 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -2.117 flat angles P-C4'-P energy: -3.714 tors. eta vs tors. theta energy: -2.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 200 Temperature: 1.300000 Total energy: -30.004939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.004939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.004939 (E_RNA) where: Base-Base interactions energy: -12.053 where: short stacking energy: -12.053 Base-Backbone interact. energy: -0.010 local terms energy: -17.942464 where: bonds (distance) C4'-P energy: -5.261 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -1.832 flat angles P-C4'-P energy: -0.918 tors. eta vs tors. theta energy: -3.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 200 Temperature: 1.350000 Total energy: -28.286789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.286789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.286789 (E_RNA) where: Base-Base interactions energy: -7.528 where: short stacking energy: -7.528 Base-Backbone interact. energy: -0.000 local terms energy: -20.758608 where: bonds (distance) C4'-P energy: -5.075 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -4.365 flat angles P-C4'-P energy: -2.002 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: 1, replica: 10 ===================================== Write number: 201 Temperature: 0.900000 Total energy: -37.659880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.659880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.659880 (E_RNA) where: Base-Base interactions energy: -13.245 where: short stacking energy: -13.245 Base-Backbone interact. energy: -0.010 local terms energy: -24.404933 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -5.235 flat angles P-C4'-P energy: -3.774 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: 2, replica: 2 ===================================== Write number: 201 Temperature: 0.950000 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: -14.086 where: short stacking energy: -14.086 Base-Backbone interact. energy: -0.000 local terms energy: -25.175412 where: bonds (distance) C4'-P energy: -5.047 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -6.677 flat angles P-C4'-P energy: -2.060 tors. eta vs tors. theta energy: -4.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 201 Temperature: 1.000000 Total energy: -33.649674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.649674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.649674 (E_RNA) where: Base-Base interactions energy: -13.129 where: short stacking energy: -13.129 Base-Backbone interact. energy: -0.001 local terms energy: -20.520061 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -3.552 flat angles P-C4'-P energy: -2.220 tors. eta vs tors. theta energy: -2.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 201 Temperature: 1.050000 Total energy: -40.453461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.453461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.453461 (E_RNA) where: Base-Base interactions energy: -16.770 where: short stacking energy: -16.770 Base-Backbone interact. energy: -0.006 local terms energy: -23.678230 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.227 flat angles C4'-P-C4' energy: -4.747 flat angles P-C4'-P energy: -3.574 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: 5, replica: 5 ===================================== Write number: 201 Temperature: 1.100000 Total energy: -37.452026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.452026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.452026 (E_RNA) where: Base-Base interactions energy: -10.674 where: short stacking energy: -10.674 Base-Backbone interact. energy: -0.008 local terms energy: -26.769610 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -6.461 flat angles P-C4'-P energy: -5.278 tors. eta vs tors. theta energy: -2.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 201 Temperature: 1.150000 Total energy: -36.114445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.114445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.114445 (E_RNA) where: Base-Base interactions energy: -13.059 where: short stacking energy: -13.059 Base-Backbone interact. energy: -0.003 local terms energy: -23.052549 where: bonds (distance) C4'-P energy: -4.346 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -5.799 flat angles P-C4'-P energy: -5.116 tors. eta vs tors. theta energy: -1.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 201 Temperature: 1.200000 Total energy: -35.704940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.704940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.704940 (E_RNA) where: Base-Base interactions energy: -13.895 where: short stacking energy: -14.249 Base-Backbone interact. energy: -0.009 local terms energy: -21.801044 where: bonds (distance) C4'-P energy: -3.828 bonds (distance) P-C4' energy: -5.541 flat angles C4'-P-C4' energy: -4.669 flat angles P-C4'-P energy: -4.463 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: 8, replica: 3 ===================================== Write number: 201 Temperature: 1.250000 Total energy: -34.313368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.313368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.313368 (E_RNA) where: Base-Base interactions energy: -10.905 where: short stacking energy: -10.905 Base-Backbone interact. energy: -0.038 local terms energy: -23.370392 where: bonds (distance) C4'-P energy: -4.525 bonds (distance) P-C4' energy: -5.078 flat angles C4'-P-C4' energy: -6.420 flat angles P-C4'-P energy: -3.523 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: 9, replica: 6 ===================================== Write number: 201 Temperature: 1.300000 Total energy: -33.151099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.151099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.151099 (E_RNA) where: Base-Base interactions energy: -11.865 where: short stacking energy: -11.865 Base-Backbone interact. energy: -0.011 local terms energy: -21.275078 where: bonds (distance) C4'-P energy: -4.430 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -3.826 flat angles P-C4'-P energy: -2.970 tors. eta vs tors. theta energy: -2.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 201 Temperature: 1.350000 Total energy: -30.628255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.628255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.628255 (E_RNA) where: Base-Base interactions energy: -13.327 where: short stacking energy: -13.327 Base-Backbone interact. energy: -0.001 local terms energy: -17.300252 where: bonds (distance) C4'-P energy: -6.044 bonds (distance) P-C4' energy: -3.321 flat angles C4'-P-C4' energy: -3.299 flat angles P-C4'-P energy: -2.656 tors. eta vs tors. theta energy: -1.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 202 Temperature: 0.900000 Total energy: -41.800746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.800746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.800746 (E_RNA) where: Base-Base interactions energy: -16.884 where: short stacking energy: -17.547 Base-Backbone interact. energy: -0.000 local terms energy: -24.917063 where: bonds (distance) C4'-P energy: -5.278 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -4.918 flat angles P-C4'-P energy: -4.294 tors. eta vs tors. theta energy: -3.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 202 Temperature: 0.950000 Total energy: -35.807356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.807356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.807356 (E_RNA) where: Base-Base interactions energy: -13.553 where: short stacking energy: -13.553 Base-Backbone interact. energy: -0.019 local terms energy: -22.235771 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -3.941 flat angles C4'-P-C4' energy: -4.543 flat angles P-C4'-P energy: -4.255 tors. eta vs tors. theta energy: -3.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 202 Temperature: 1.000000 Total energy: -40.448829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.448829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.448829 (E_RNA) where: Base-Base interactions energy: -14.291 where: short stacking energy: -14.291 Base-Backbone interact. energy: -0.000 local terms energy: -26.157555 where: bonds (distance) C4'-P energy: -5.659 bonds (distance) P-C4' energy: -5.572 flat angles C4'-P-C4' energy: -5.922 flat angles P-C4'-P energy: -5.465 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: 4, replica: 1 ===================================== Write number: 202 Temperature: 1.050000 Total energy: -32.809490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.809490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.809490 (E_RNA) where: Base-Base interactions energy: -11.916 where: short stacking energy: -11.916 Base-Backbone interact. energy: -0.000 local terms energy: -20.892679 where: bonds (distance) C4'-P energy: -5.233 bonds (distance) P-C4' energy: -5.131 flat angles C4'-P-C4' energy: -5.622 flat angles P-C4'-P energy: -3.673 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: 5, replica: 5 ===================================== Write number: 202 Temperature: 1.100000 Total energy: -35.776215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.776215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.776215 (E_RNA) where: Base-Base interactions energy: -13.305 where: short stacking energy: -13.305 Base-Backbone interact. energy: -0.091 local terms energy: -22.380632 where: bonds (distance) C4'-P energy: -4.921 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -3.670 flat angles P-C4'-P energy: -5.004 tors. eta vs tors. theta energy: -2.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 202 Temperature: 1.150000 Total energy: -29.710358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.710358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.710358 (E_RNA) where: Base-Base interactions energy: -9.512 where: short stacking energy: -9.512 Base-Backbone interact. energy: -0.072 local terms energy: -20.126136 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -3.548 flat angles P-C4'-P energy: -3.396 tors. eta vs tors. theta energy: -1.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 202 Temperature: 1.200000 Total energy: -30.481332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.481332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.481332 (E_RNA) where: Base-Base interactions energy: -11.045 where: short stacking energy: -11.045 Base-Backbone interact. energy: -0.094 local terms energy: -19.342683 where: bonds (distance) C4'-P energy: -4.967 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -4.281 flat angles P-C4'-P energy: -3.518 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: 8, replica: 4 ===================================== Write number: 202 Temperature: 1.250000 Total energy: -32.628252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.628252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.628252 (E_RNA) where: Base-Base interactions energy: -13.051 where: short stacking energy: -13.051 Base-Backbone interact. energy: -0.009 local terms energy: -19.568797 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -3.181 flat angles C4'-P-C4' energy: -3.170 flat angles P-C4'-P energy: -3.938 tors. eta vs tors. theta energy: -3.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 202 Temperature: 1.300000 Total energy: -33.586123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.586123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.586123 (E_RNA) where: Base-Base interactions energy: -7.861 where: short stacking energy: -7.861 Base-Backbone interact. energy: -0.000 local terms energy: -25.725083 where: bonds (distance) C4'-P energy: -6.044 bonds (distance) P-C4' energy: -4.847 flat angles C4'-P-C4' energy: -6.314 flat angles P-C4'-P energy: -5.256 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: 10, replica: 8 ===================================== Write number: 202 Temperature: 1.350000 Total energy: -34.687259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.687259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.687259 (E_RNA) where: Base-Base interactions energy: -12.280 where: short stacking energy: -12.280 Base-Backbone interact. energy: 0.069 local terms energy: -22.475959 where: bonds (distance) C4'-P energy: -4.785 bonds (distance) P-C4' energy: -5.339 flat angles C4'-P-C4' energy: -5.956 flat angles P-C4'-P energy: -3.349 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: 2 ===================================== Write number: 203 Temperature: 0.900000 Total energy: -42.735854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.735854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.735854 (E_RNA) where: Base-Base interactions energy: -17.474 where: short stacking energy: -17.474 Base-Backbone interact. energy: -0.016 local terms energy: -25.246269 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -6.125 flat angles C4'-P-C4' energy: -5.944 flat angles P-C4'-P energy: -5.010 tors. eta vs tors. theta energy: -2.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 203 Temperature: 0.950000 Total energy: -37.669515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.669515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.669515 (E_RNA) where: Base-Base interactions energy: -15.204 where: short stacking energy: -15.204 Base-Backbone interact. energy: -0.000 local terms energy: -22.465856 where: bonds (distance) C4'-P energy: -5.055 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -5.776 flat angles P-C4'-P energy: -4.024 tors. eta vs tors. theta energy: -0.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 203 Temperature: 1.000000 Total energy: -38.242505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.242505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.242505 (E_RNA) where: Base-Base interactions energy: -14.371 where: short stacking energy: -14.371 Base-Backbone interact. energy: -0.000 local terms energy: -23.871453 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -6.361 flat angles P-C4'-P energy: -3.113 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: 4, replica: 5 ===================================== Write number: 203 Temperature: 1.050000 Total energy: -38.368331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.368331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.368331 (E_RNA) where: Base-Base interactions energy: -14.239 where: short stacking energy: -14.239 Base-Backbone interact. energy: 0.006 local terms energy: -24.135705 where: bonds (distance) C4'-P energy: -3.866 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -6.174 flat angles P-C4'-P energy: -4.488 tors. eta vs tors. theta energy: -2.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 203 Temperature: 1.100000 Total energy: -37.668259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.668259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.668259 (E_RNA) where: Base-Base interactions energy: -12.442 where: short stacking energy: -12.442 Base-Backbone interact. energy: -0.000 local terms energy: -25.226458 where: bonds (distance) C4'-P energy: -5.368 bonds (distance) P-C4' energy: -5.956 flat angles C4'-P-C4' energy: -5.760 flat angles P-C4'-P energy: -4.471 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: 6, replica: 3 ===================================== Write number: 203 Temperature: 1.150000 Total energy: -38.279474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.279474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.279474 (E_RNA) where: Base-Base interactions energy: -14.163 where: short stacking energy: -14.163 Base-Backbone interact. energy: -0.000 local terms energy: -24.116544 where: bonds (distance) C4'-P energy: -2.583 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.265 flat angles P-C4'-P energy: -5.314 tors. eta vs tors. theta energy: -4.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 203 Temperature: 1.200000 Total energy: -32.782845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.782845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.782845 (E_RNA) where: Base-Base interactions energy: -10.555 where: short stacking energy: -10.555 Base-Backbone interact. energy: -0.004 local terms energy: -22.224242 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -3.995 flat angles P-C4'-P energy: -4.931 tors. eta vs tors. theta energy: -0.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 203 Temperature: 1.250000 Total energy: -34.244502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.244502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.244502 (E_RNA) where: Base-Base interactions energy: -8.475 where: short stacking energy: -8.475 Base-Backbone interact. energy: -0.004 local terms energy: -25.765243 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -5.607 flat angles P-C4'-P energy: -5.117 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: 9, replica: 6 ===================================== Write number: 203 Temperature: 1.300000 Total energy: -33.449468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.449468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.449468 (E_RNA) where: Base-Base interactions energy: -12.769 where: short stacking energy: -12.769 Base-Backbone interact. energy: -0.018 local terms energy: -20.662821 where: bonds (distance) C4'-P energy: -4.495 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -6.168 flat angles P-C4'-P energy: -2.374 tors. eta vs tors. theta energy: -1.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 203 Temperature: 1.350000 Total energy: -27.211581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.211581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.211581 (E_RNA) where: Base-Base interactions energy: -9.565 where: short stacking energy: -9.565 Base-Backbone interact. energy: -0.000 local terms energy: -17.646471 where: bonds (distance) C4'-P energy: -5.021 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -4.468 flat angles P-C4'-P energy: -3.029 tors. eta vs tors. theta energy: 1.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 204 Temperature: 0.900000 Total energy: -38.858340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.858340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.858340 (E_RNA) where: Base-Base interactions energy: -14.526 where: short stacking energy: -14.526 Base-Backbone interact. energy: -0.001 local terms energy: -24.331760 where: bonds (distance) C4'-P energy: -4.905 bonds (distance) P-C4' energy: -6.153 flat angles C4'-P-C4' energy: -4.521 flat angles P-C4'-P energy: -4.140 tors. eta vs tors. theta energy: -4.613 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: 2, replica: 2 ===================================== Write number: 204 Temperature: 0.950000 Total energy: -34.998706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.998706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.998706 (E_RNA) where: Base-Base interactions energy: -11.225 where: short stacking energy: -11.225 Base-Backbone interact. energy: -0.112 local terms energy: -23.661409 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -5.597 flat angles C4'-P-C4' energy: -6.103 flat angles P-C4'-P energy: -3.871 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: 10 ===================================== Write number: 204 Temperature: 1.000000 Total energy: -41.648149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.648149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.648149 (E_RNA) where: Base-Base interactions energy: -15.883 where: short stacking energy: -15.883 Base-Backbone interact. energy: -0.000 local terms energy: -25.764827 where: bonds (distance) C4'-P energy: -4.549 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -5.050 flat angles P-C4'-P energy: -4.256 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: 4, replica: 5 ===================================== Write number: 204 Temperature: 1.050000 Total energy: -29.910276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.910276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.910276 (E_RNA) where: Base-Base interactions energy: -8.283 where: short stacking energy: -8.283 Base-Backbone interact. energy: -0.054 local terms energy: -21.573537 where: bonds (distance) C4'-P energy: -4.864 bonds (distance) P-C4' energy: -4.631 flat angles C4'-P-C4' energy: -4.824 flat angles P-C4'-P energy: -4.640 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: 5, replica: 3 ===================================== Write number: 204 Temperature: 1.100000 Total energy: -35.223200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.223200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.223200 (E_RNA) where: Base-Base interactions energy: -12.377 where: short stacking energy: -12.377 Base-Backbone interact. energy: -0.142 local terms energy: -22.704777 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.199 flat angles C4'-P-C4' energy: -4.261 flat angles P-C4'-P energy: -3.873 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: 6, replica: 1 ===================================== Write number: 204 Temperature: 1.150000 Total energy: -32.831169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.831169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.831169 (E_RNA) where: Base-Base interactions energy: -7.779 where: short stacking energy: -7.779 Base-Backbone interact. energy: -0.098 local terms energy: -24.954846 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.530 flat angles P-C4'-P energy: -5.060 tors. eta vs tors. theta energy: -2.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 204 Temperature: 1.200000 Total energy: -35.450079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.450079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.450079 (E_RNA) where: Base-Base interactions energy: -12.419 where: short stacking energy: -12.419 Base-Backbone interact. energy: -0.000 local terms energy: -23.031020 where: bonds (distance) C4'-P energy: -5.269 bonds (distance) P-C4' energy: -6.407 flat angles C4'-P-C4' energy: -3.614 flat angles P-C4'-P energy: -3.339 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: 8, replica: 9 ===================================== Write number: 204 Temperature: 1.250000 Total energy: -33.778529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.778529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.778529 (E_RNA) where: Base-Base interactions energy: -11.045 where: short stacking energy: -11.045 Base-Backbone interact. energy: 1.422 local terms energy: -24.155842 where: bonds (distance) C4'-P energy: -6.462 bonds (distance) P-C4' energy: -5.956 flat angles C4'-P-C4' energy: -3.682 flat angles P-C4'-P energy: -5.316 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: 9, replica: 8 ===================================== Write number: 204 Temperature: 1.300000 Total energy: -32.596739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.596739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.596739 (E_RNA) where: Base-Base interactions energy: -10.338 where: short stacking energy: -10.338 Base-Backbone interact. energy: -0.002 local terms energy: -22.257360 where: bonds (distance) C4'-P energy: -5.241 bonds (distance) P-C4' energy: -4.654 flat angles C4'-P-C4' energy: -5.143 flat angles P-C4'-P energy: -3.171 tors. eta vs tors. theta energy: -4.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 204 Temperature: 1.350000 Total energy: -30.964322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.964322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.964322 (E_RNA) where: Base-Base interactions energy: -8.609 where: short stacking energy: -8.609 Base-Backbone interact. energy: -0.000 local terms energy: -22.354829 where: bonds (distance) C4'-P energy: -4.913 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -5.107 flat angles P-C4'-P energy: -2.354 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: 205 Temperature: 0.900000 Total energy: -42.491757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.491757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.491757 (E_RNA) where: Base-Base interactions energy: -16.976 where: short stacking energy: -16.976 Base-Backbone interact. energy: -0.000 local terms energy: -25.515375 where: bonds (distance) C4'-P energy: -5.580 bonds (distance) P-C4' energy: -5.146 flat angles C4'-P-C4' energy: -6.431 flat angles P-C4'-P energy: -3.737 tors. eta vs tors. theta energy: -4.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 205 Temperature: 0.950000 Total energy: -40.447973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.447973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.447973 (E_RNA) where: Base-Base interactions energy: -15.691 where: short stacking energy: -15.691 Base-Backbone interact. energy: -0.001 local terms energy: -24.756432 where: bonds (distance) C4'-P energy: -4.647 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.148 flat angles P-C4'-P energy: -4.772 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: 3, replica: 2 ===================================== Write number: 205 Temperature: 1.000000 Total energy: -34.929689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.929689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.929689 (E_RNA) where: Base-Base interactions energy: -8.464 where: short stacking energy: -8.464 Base-Backbone interact. energy: -0.000 local terms energy: -26.465831 where: bonds (distance) C4'-P energy: -6.105 bonds (distance) P-C4' energy: -5.276 flat angles C4'-P-C4' energy: -5.862 flat angles P-C4'-P energy: -5.344 tors. eta vs tors. theta energy: -3.878 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: 3 ===================================== Write number: 205 Temperature: 1.050000 Total energy: -40.036012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.036012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.036012 (E_RNA) where: Base-Base interactions energy: -18.294 where: short stacking energy: -18.294 Base-Backbone interact. energy: -0.009 local terms energy: -21.732334 where: bonds (distance) C4'-P energy: -4.450 bonds (distance) P-C4' energy: -5.085 flat angles C4'-P-C4' energy: -5.285 flat angles P-C4'-P energy: -3.672 tors. eta vs tors. theta energy: -3.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 205 Temperature: 1.100000 Total energy: -34.805352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.805352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.805352 (E_RNA) where: Base-Base interactions energy: -10.004 where: short stacking energy: -10.004 Base-Backbone interact. energy: -0.438 local terms energy: -24.363038 where: bonds (distance) C4'-P energy: -5.688 bonds (distance) P-C4' energy: -5.699 flat angles C4'-P-C4' energy: -3.297 flat angles P-C4'-P energy: -4.348 tors. eta vs tors. theta energy: -5.331 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: 4 ===================================== Write number: 205 Temperature: 1.150000 Total energy: -38.129452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.129452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.129452 (E_RNA) where: Base-Base interactions energy: -11.889 where: short stacking energy: -12.166 Base-Backbone interact. energy: -1.071 local terms energy: -25.169788 where: bonds (distance) C4'-P energy: -3.022 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -6.290 flat angles P-C4'-P energy: -4.255 tors. eta vs tors. theta energy: -4.935 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: 205 Temperature: 1.200000 Total energy: -33.146479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.146479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.146479 (E_RNA) where: Base-Base interactions energy: -14.032 where: short stacking energy: -14.032 Base-Backbone interact. energy: -0.001 local terms energy: -19.112700 where: bonds (distance) C4'-P energy: -5.721 bonds (distance) P-C4' energy: -3.904 flat angles C4'-P-C4' energy: -3.878 flat angles P-C4'-P energy: -2.898 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: 8, replica: 8 ===================================== Write number: 205 Temperature: 1.250000 Total energy: -32.121688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.121688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.121688 (E_RNA) where: Base-Base interactions energy: -9.592 where: short stacking energy: -9.592 Base-Backbone interact. energy: -0.028 local terms energy: -22.501246 where: bonds (distance) C4'-P energy: -3.857 bonds (distance) P-C4' energy: -4.677 flat angles C4'-P-C4' energy: -5.077 flat angles P-C4'-P energy: -5.278 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: 9, replica: 9 ===================================== Write number: 205 Temperature: 1.300000 Total energy: -34.351377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.351377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.351377 (E_RNA) where: Base-Base interactions energy: -11.974 where: short stacking energy: -11.974 Base-Backbone interact. energy: -0.000 local terms energy: -22.377577 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -5.730 flat angles P-C4'-P energy: -4.554 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: 10, replica: 6 ===================================== Write number: 205 Temperature: 1.350000 Total energy: -28.993501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.993501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.993501 (E_RNA) where: Base-Base interactions energy: -10.412 where: short stacking energy: -10.412 Base-Backbone interact. energy: -0.000 local terms energy: -18.581621 where: bonds (distance) C4'-P energy: -2.934 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -4.393 flat angles P-C4'-P energy: -3.038 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: 1, replica: 10 ===================================== Write number: 206 Temperature: 0.900000 Total energy: -39.118208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.118208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.118208 (E_RNA) where: Base-Base interactions energy: -17.398 where: short stacking energy: -17.398 Base-Backbone interact. energy: -0.035 local terms energy: -21.685179 where: bonds (distance) C4'-P energy: -5.199 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -3.457 flat angles P-C4'-P energy: -4.456 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: 2, replica: 7 ===================================== Write number: 206 Temperature: 0.950000 Total energy: -35.345970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.345970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.345970 (E_RNA) where: Base-Base interactions energy: -13.122 where: short stacking energy: -13.122 Base-Backbone interact. energy: 0.876 local terms energy: -23.099827 where: bonds (distance) C4'-P energy: -4.897 bonds (distance) P-C4' energy: -6.438 flat angles C4'-P-C4' energy: -4.552 flat angles P-C4'-P energy: -4.730 tors. eta vs tors. theta energy: -2.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 206 Temperature: 1.000000 Total energy: -36.843409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.843409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.843409 (E_RNA) where: Base-Base interactions energy: -13.345 where: short stacking energy: -13.345 Base-Backbone interact. energy: -0.005 local terms energy: -23.493460 where: bonds (distance) C4'-P energy: -5.323 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -4.473 flat angles P-C4'-P energy: -2.611 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: 2 ===================================== Write number: 206 Temperature: 1.050000 Total energy: -35.677327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.677327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.677327 (E_RNA) where: Base-Base interactions energy: -12.707 where: short stacking energy: -13.055 Base-Backbone interact. energy: -0.006 local terms energy: -22.965140 where: bonds (distance) C4'-P energy: -5.982 bonds (distance) P-C4' energy: -5.184 flat angles C4'-P-C4' energy: -4.426 flat angles P-C4'-P energy: -3.315 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: 5, replica: 5 ===================================== Write number: 206 Temperature: 1.100000 Total energy: -31.665690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.665690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.665690 (E_RNA) where: Base-Base interactions energy: -9.918 where: short stacking energy: -10.419 Base-Backbone interact. energy: -0.079 local terms energy: -21.669228 where: bonds (distance) C4'-P energy: -4.682 bonds (distance) P-C4' energy: -4.593 flat angles C4'-P-C4' energy: -5.151 flat angles P-C4'-P energy: -5.353 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: 6, replica: 4 ===================================== Write number: 206 Temperature: 1.150000 Total energy: -29.723777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.723777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.723777 (E_RNA) where: Base-Base interactions energy: -9.402 where: short stacking energy: -9.402 Base-Backbone interact. energy: -0.001 local terms energy: -20.321324 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -4.832 flat angles P-C4'-P energy: -2.892 tors. eta vs tors. theta energy: -0.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 206 Temperature: 1.200000 Total energy: -31.234710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.234710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.234710 (E_RNA) where: Base-Base interactions energy: -8.007 where: short stacking energy: -8.390 Base-Backbone interact. energy: -0.492 local terms energy: -22.735693 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -6.156 flat angles P-C4'-P energy: -4.425 tors. eta vs tors. theta energy: 0.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 206 Temperature: 1.250000 Total energy: -30.530762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.530762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.530762 (E_RNA) where: Base-Base interactions energy: -9.617 where: short stacking energy: -9.617 Base-Backbone interact. energy: -0.017 local terms energy: -20.897137 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -6.328 flat angles P-C4'-P energy: -2.099 tors. eta vs tors. theta energy: -0.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 206 Temperature: 1.300000 Total energy: -28.617666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.617666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.617666 (E_RNA) where: Base-Base interactions energy: -10.378 where: short stacking energy: -10.378 Base-Backbone interact. energy: -0.035 local terms energy: -18.204830 where: bonds (distance) C4'-P energy: -3.245 bonds (distance) P-C4' energy: -5.371 flat angles C4'-P-C4' energy: -2.785 flat angles P-C4'-P energy: -3.837 tors. eta vs tors. theta energy: -2.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 206 Temperature: 1.350000 Total energy: -30.234098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.234098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.234098 (E_RNA) where: Base-Base interactions energy: -9.742 where: short stacking energy: -9.742 Base-Backbone interact. energy: -0.094 local terms energy: -20.398050 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -5.631 flat angles C4'-P-C4' energy: -4.728 flat angles P-C4'-P energy: -1.527 tors. eta vs tors. theta energy: -2.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 207 Temperature: 0.900000 Total energy: -41.034369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.034369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.034369 (E_RNA) where: Base-Base interactions energy: -16.509 where: short stacking energy: -16.509 Base-Backbone interact. energy: -0.000 local terms energy: -24.525776 where: bonds (distance) C4'-P energy: -4.376 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -6.421 flat angles P-C4'-P energy: -3.785 tors. eta vs tors. theta energy: -3.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 207 Temperature: 0.950000 Total energy: -38.880002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.880002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.880002 (E_RNA) where: Base-Base interactions energy: -15.825 where: short stacking energy: -15.825 Base-Backbone interact. energy: -0.006 local terms energy: -23.048674 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -5.534 flat angles C4'-P-C4' energy: -5.408 flat angles P-C4'-P energy: -3.184 tors. eta vs tors. theta energy: -3.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 207 Temperature: 1.000000 Total energy: -39.238247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.238247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.238247 (E_RNA) where: Base-Base interactions energy: -17.715 where: short stacking energy: -17.026 Base-Backbone interact. energy: -0.142 local terms energy: -21.381246 where: bonds (distance) C4'-P energy: -4.453 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -5.933 flat angles P-C4'-P energy: -0.427 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: 4, replica: 5 ===================================== Write number: 207 Temperature: 1.050000 Total energy: -36.185782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.185782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.185782 (E_RNA) where: Base-Base interactions energy: -9.776 where: short stacking energy: -9.776 Base-Backbone interact. energy: -0.000 local terms energy: -26.409502 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -5.600 flat angles C4'-P-C4' energy: -6.335 flat angles P-C4'-P energy: -5.335 tors. eta vs tors. theta energy: -3.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 207 Temperature: 1.100000 Total energy: -33.173278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.173278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.173278 (E_RNA) where: Base-Base interactions energy: -12.969 where: short stacking energy: -12.969 Base-Backbone interact. energy: -0.009 local terms energy: -20.194642 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -3.748 flat angles C4'-P-C4' energy: -5.143 flat angles P-C4'-P energy: -3.116 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: 207 Temperature: 1.150000 Total energy: -35.117557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.117557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.117557 (E_RNA) where: Base-Base interactions energy: -13.458 where: short stacking energy: -13.458 Base-Backbone interact. energy: -0.000 local terms energy: -21.659502 where: bonds (distance) C4'-P energy: -2.847 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -4.532 flat angles P-C4'-P energy: -3.404 tors. eta vs tors. theta energy: -3.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 207 Temperature: 1.200000 Total energy: -31.750177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.750177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.750177 (E_RNA) where: Base-Base interactions energy: -9.978 where: short stacking energy: -9.978 Base-Backbone interact. energy: -0.001 local terms energy: -21.771064 where: bonds (distance) C4'-P energy: -6.105 bonds (distance) P-C4' energy: -4.854 flat angles C4'-P-C4' energy: -4.852 flat angles P-C4'-P energy: -2.828 tors. eta vs tors. theta energy: -3.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 207 Temperature: 1.250000 Total energy: -34.280440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.280440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.280440 (E_RNA) where: Base-Base interactions energy: -15.917 where: short stacking energy: -15.917 Base-Backbone interact. energy: 0.516 local terms energy: -18.879906 where: bonds (distance) C4'-P energy: -5.340 bonds (distance) P-C4' energy: -4.290 flat angles C4'-P-C4' energy: -5.655 flat angles P-C4'-P energy: -2.744 tors. eta vs tors. theta energy: -0.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 207 Temperature: 1.300000 Total energy: -31.137004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.137004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.137004 (E_RNA) where: Base-Base interactions energy: -10.243 where: short stacking energy: -10.243 Base-Backbone interact. energy: -0.022 local terms energy: -20.872137 where: bonds (distance) C4'-P energy: -6.105 bonds (distance) P-C4' energy: -5.826 flat angles C4'-P-C4' energy: -2.796 flat angles P-C4'-P energy: -3.476 tors. eta vs tors. theta energy: -2.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 207 Temperature: 1.350000 Total energy: -28.640949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.640949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.640949 (E_RNA) where: Base-Base interactions energy: -9.631 where: short stacking energy: -9.631 Base-Backbone interact. energy: -0.222 local terms energy: -18.787991 where: bonds (distance) C4'-P energy: -4.859 bonds (distance) P-C4' energy: -6.199 flat angles C4'-P-C4' energy: -4.999 flat angles P-C4'-P energy: -3.484 tors. eta vs tors. theta energy: 0.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 208 Temperature: 0.900000 Total energy: -37.711945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.711945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.711945 (E_RNA) where: Base-Base interactions energy: -13.791 where: short stacking energy: -13.791 Base-Backbone interact. energy: -0.399 local terms energy: -23.521943 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -4.845 flat angles P-C4'-P energy: -4.026 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: 2, replica: 7 ===================================== Write number: 208 Temperature: 0.950000 Total energy: -41.427837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.427837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.427837 (E_RNA) where: Base-Base interactions energy: -17.727 where: short stacking energy: -17.727 Base-Backbone interact. energy: -0.000 local terms energy: -23.700806 where: bonds (distance) C4'-P energy: -4.781 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -4.844 flat angles P-C4'-P energy: -3.936 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: 3, replica: 5 ===================================== Write number: 208 Temperature: 1.000000 Total energy: -33.937396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.937396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.937396 (E_RNA) where: Base-Base interactions energy: -8.712 where: short stacking energy: -8.712 Base-Backbone interact. energy: -0.103 local terms energy: -25.122993 where: bonds (distance) C4'-P energy: -5.998 bonds (distance) P-C4' energy: -5.177 flat angles C4'-P-C4' energy: -6.221 flat angles P-C4'-P energy: -4.595 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: 4, replica: 3 ===================================== Write number: 208 Temperature: 1.050000 Total energy: -34.965854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.965854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.965854 (E_RNA) where: Base-Base interactions energy: -13.789 where: short stacking energy: -13.789 Base-Backbone interact. energy: -0.000 local terms energy: -21.176662 where: bonds (distance) C4'-P energy: -4.694 bonds (distance) P-C4' energy: -5.205 flat angles C4'-P-C4' energy: -5.961 flat angles P-C4'-P energy: -4.842 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: 5, replica: 8 ===================================== Write number: 208 Temperature: 1.100000 Total energy: -35.710334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.710334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.710334 (E_RNA) where: Base-Base interactions energy: -13.737 where: short stacking energy: -13.737 Base-Backbone interact. energy: -0.001 local terms energy: -21.971925 where: bonds (distance) C4'-P energy: -3.804 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.195 flat angles P-C4'-P energy: -3.099 tors. eta vs tors. theta energy: -4.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 208 Temperature: 1.150000 Total energy: -34.812336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.812336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.812336 (E_RNA) where: Base-Base interactions energy: -14.497 where: short stacking energy: -11.961 Base-Backbone interact. energy: -0.051 local terms energy: -20.264231 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -4.818 flat angles C4'-P-C4' energy: -5.442 flat angles P-C4'-P energy: -2.110 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: 7, replica: 6 ===================================== Write number: 208 Temperature: 1.200000 Total energy: -34.629806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.629806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.629806 (E_RNA) where: Base-Base interactions energy: -14.582 where: short stacking energy: -14.582 Base-Backbone interact. energy: -0.064 local terms energy: -19.983663 where: bonds (distance) C4'-P energy: -5.199 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -3.581 flat angles P-C4'-P energy: -0.483 tors. eta vs tors. theta energy: -3.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 208 Temperature: 1.250000 Total energy: -32.213377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.213377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.213377 (E_RNA) where: Base-Base interactions energy: -11.686 where: short stacking energy: -11.686 Base-Backbone interact. energy: 1.343 local terms energy: -21.870669 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -4.431 flat angles P-C4'-P energy: -4.336 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: 9, replica: 9 ===================================== Write number: 208 Temperature: 1.300000 Total energy: -30.260028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.260028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.260028 (E_RNA) where: Base-Base interactions energy: -12.210 where: short stacking energy: -12.210 Base-Backbone interact. energy: -0.087 local terms energy: -17.963508 where: bonds (distance) C4'-P energy: -5.128 bonds (distance) P-C4' energy: -4.405 flat angles C4'-P-C4' energy: -4.150 flat angles P-C4'-P energy: -2.217 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: 10, replica: 1 ===================================== Write number: 208 Temperature: 1.350000 Total energy: -31.223635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.223635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.223635 (E_RNA) where: Base-Base interactions energy: -10.068 where: short stacking energy: -10.068 Base-Backbone interact. energy: -0.001 local terms energy: -21.154179 where: bonds (distance) C4'-P energy: -4.337 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -3.470 flat angles P-C4'-P energy: -5.099 tors. eta vs tors. theta energy: -1.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 209 Temperature: 0.900000 Total energy: -43.779211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.779211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.779211 (E_RNA) where: Base-Base interactions energy: -16.655 where: short stacking energy: -16.655 Base-Backbone interact. energy: -0.000 local terms energy: -27.123887 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -5.572 flat angles C4'-P-C4' energy: -6.519 flat angles P-C4'-P energy: -4.038 tors. eta vs tors. theta energy: -5.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 209 Temperature: 0.950000 Total energy: -39.521811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.521811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.521811 (E_RNA) where: Base-Base interactions energy: -14.646 where: short stacking energy: -13.063 Base-Backbone interact. energy: -0.002 local terms energy: -24.873701 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -3.944 flat angles P-C4'-P energy: -4.983 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: 3, replica: 5 ===================================== Write number: 209 Temperature: 1.000000 Total energy: -38.474895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.474895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.474895 (E_RNA) where: Base-Base interactions energy: -13.538 where: short stacking energy: -13.538 Base-Backbone interact. energy: -0.000 local terms energy: -24.936370 where: bonds (distance) C4'-P energy: -5.411 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.858 flat angles P-C4'-P energy: -3.453 tors. eta vs tors. theta energy: -3.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 209 Temperature: 1.050000 Total energy: -38.575218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.575218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.575218 (E_RNA) where: Base-Base interactions energy: -13.991 where: short stacking energy: -13.991 Base-Backbone interact. energy: -0.040 local terms energy: -24.544157 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -5.188 flat angles P-C4'-P energy: -2.887 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: 5, replica: 8 ===================================== Write number: 209 Temperature: 1.100000 Total energy: -37.442349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.442349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.442349 (E_RNA) where: Base-Base interactions energy: -12.628 where: short stacking energy: -12.628 Base-Backbone interact. energy: -0.000 local terms energy: -24.813864 where: bonds (distance) C4'-P energy: -4.673 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -5.751 flat angles P-C4'-P energy: -5.113 tors. eta vs tors. theta energy: -3.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 209 Temperature: 1.150000 Total energy: -33.439626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.439626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.439626 (E_RNA) where: Base-Base interactions energy: -10.749 where: short stacking energy: -10.749 Base-Backbone interact. energy: -0.001 local terms energy: -22.690175 where: bonds (distance) C4'-P energy: -3.999 bonds (distance) P-C4' energy: -5.656 flat angles C4'-P-C4' energy: -5.262 flat angles P-C4'-P energy: -2.893 tors. eta vs tors. theta energy: -4.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 209 Temperature: 1.200000 Total energy: -31.552899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.552899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.552899 (E_RNA) where: Base-Base interactions energy: -5.727 where: short stacking energy: -5.727 Base-Backbone interact. energy: -0.000 local terms energy: -25.825730 where: bonds (distance) C4'-P energy: -5.982 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -5.739 flat angles P-C4'-P energy: -4.146 tors. eta vs tors. theta energy: -3.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 209 Temperature: 1.250000 Total energy: -32.755257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.755257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.755257 (E_RNA) where: Base-Base interactions energy: -9.914 where: short stacking energy: -9.914 Base-Backbone interact. energy: -0.004 local terms energy: -22.837454 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -4.969 flat angles P-C4'-P energy: -4.662 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: 9, replica: 4 ===================================== Write number: 209 Temperature: 1.300000 Total energy: -27.417365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.417365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.417365 (E_RNA) where: Base-Base interactions energy: -7.874 where: short stacking energy: -7.874 Base-Backbone interact. energy: -0.010 local terms energy: -19.533347 where: bonds (distance) C4'-P energy: -5.729 bonds (distance) P-C4' energy: -5.438 flat angles C4'-P-C4' energy: -4.691 flat angles P-C4'-P energy: -3.399 tors. eta vs tors. theta energy: -0.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 209 Temperature: 1.350000 Total energy: -30.346848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.346848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.346848 (E_RNA) where: Base-Base interactions energy: -13.522 where: short stacking energy: -13.522 Base-Backbone interact. energy: -0.001 local terms energy: -16.824015 where: bonds (distance) C4'-P energy: -3.191 bonds (distance) P-C4' energy: -5.177 flat angles C4'-P-C4' energy: -2.471 flat angles P-C4'-P energy: -2.043 tors. eta vs tors. theta energy: -3.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 210 Temperature: 0.900000 Total energy: -40.924929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.924929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.924929 (E_RNA) where: Base-Base interactions energy: -16.436 where: short stacking energy: -16.436 Base-Backbone interact. energy: -0.001 local terms energy: -24.488656 where: bonds (distance) C4'-P energy: -4.745 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -5.247 flat angles P-C4'-P energy: -3.921 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: 2, replica: 7 ===================================== Write number: 210 Temperature: 0.950000 Total energy: -33.873775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.873775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.873775 (E_RNA) where: Base-Base interactions energy: -8.570 where: short stacking energy: -8.570 Base-Backbone interact. energy: -0.673 local terms energy: -24.630526 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.457 flat angles C4'-P-C4' energy: -4.804 flat angles P-C4'-P energy: -4.896 tors. eta vs tors. theta energy: -2.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 210 Temperature: 1.000000 Total energy: -41.089377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.089377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.089377 (E_RNA) where: Base-Base interactions energy: -15.844 where: short stacking energy: -15.844 Base-Backbone interact. energy: -0.109 local terms energy: -25.136461 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -5.234 flat angles P-C4'-P energy: -4.432 tors. eta vs tors. theta energy: -3.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 210 Temperature: 1.050000 Total energy: -40.395435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.395435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.395435 (E_RNA) where: Base-Base interactions energy: -11.414 where: short stacking energy: -11.414 Base-Backbone interact. energy: -0.000 local terms energy: -28.981823 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -6.065 flat angles P-C4'-P energy: -5.025 tors. eta vs tors. theta energy: -5.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 210 Temperature: 1.100000 Total energy: -34.722080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.722080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.722080 (E_RNA) where: Base-Base interactions energy: -13.230 where: short stacking energy: -13.230 Base-Backbone interact. energy: -0.015 local terms energy: -21.476796 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -4.797 flat angles P-C4'-P energy: -3.448 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: 6, replica: 8 ===================================== Write number: 210 Temperature: 1.150000 Total energy: -35.358945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.358945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.358945 (E_RNA) where: Base-Base interactions energy: -12.502 where: short stacking energy: -12.502 Base-Backbone interact. energy: -0.000 local terms energy: -22.856863 where: bonds (distance) C4'-P energy: -4.462 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -6.432 flat angles P-C4'-P energy: -3.817 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: 7, replica: 9 ===================================== Write number: 210 Temperature: 1.200000 Total energy: -30.204119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.204119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.204119 (E_RNA) where: Base-Base interactions energy: -7.848 where: short stacking energy: -7.848 Base-Backbone interact. energy: -0.030 local terms energy: -22.326171 where: bonds (distance) C4'-P energy: -5.775 bonds (distance) P-C4' energy: -5.150 flat angles C4'-P-C4' energy: -5.991 flat angles P-C4'-P energy: -3.922 tors. eta vs tors. theta energy: -1.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 210 Temperature: 1.250000 Total energy: -32.447859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.447859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.447859 (E_RNA) where: Base-Base interactions energy: -8.464 where: short stacking energy: -8.464 Base-Backbone interact. energy: -0.096 local terms energy: -23.888586 where: bonds (distance) C4'-P energy: -6.060 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -5.243 flat angles P-C4'-P energy: -3.587 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: 9, replica: 1 ===================================== Write number: 210 Temperature: 1.300000 Total energy: -29.518068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.518068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.518068 (E_RNA) where: Base-Base interactions energy: -10.755 where: short stacking energy: -10.755 Base-Backbone interact. energy: -0.000 local terms energy: -18.763066 where: bonds (distance) C4'-P energy: -4.515 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -4.855 flat angles P-C4'-P energy: -2.670 tors. eta vs tors. theta energy: -0.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 210 Temperature: 1.350000 Total energy: -32.381651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.381651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.381651 (E_RNA) where: Base-Base interactions energy: -11.583 where: short stacking energy: -11.583 Base-Backbone interact. energy: -0.004 local terms energy: -20.795142 where: bonds (distance) C4'-P energy: -1.068 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -5.944 flat angles P-C4'-P energy: -3.807 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: 1, replica: 10 ===================================== Write number: 211 Temperature: 0.900000 Total energy: -43.062812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.062812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.062812 (E_RNA) where: Base-Base interactions energy: -15.853 where: short stacking energy: -15.853 Base-Backbone interact. energy: -0.420 local terms energy: -26.789548 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -5.634 flat angles P-C4'-P energy: -5.090 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: 2, replica: 3 ===================================== Write number: 211 Temperature: 0.950000 Total energy: -36.931469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.931469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.931469 (E_RNA) where: Base-Base interactions energy: -13.312 where: short stacking energy: -13.312 Base-Backbone interact. energy: -0.002 local terms energy: -23.618077 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -6.225 flat angles P-C4'-P energy: -3.592 tors. eta vs tors. theta energy: -2.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 211 Temperature: 1.000000 Total energy: -35.600272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.600272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.600272 (E_RNA) where: Base-Base interactions energy: -12.076 where: short stacking energy: -12.076 Base-Backbone interact. energy: -0.668 local terms energy: -22.856875 where: bonds (distance) C4'-P energy: -6.354 bonds (distance) P-C4' energy: -6.177 flat angles C4'-P-C4' energy: -4.723 flat angles P-C4'-P energy: -4.480 tors. eta vs tors. theta energy: -1.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 211 Temperature: 1.050000 Total energy: -36.530371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.530371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.530371 (E_RNA) where: Base-Base interactions energy: -14.184 where: short stacking energy: -14.184 Base-Backbone interact. energy: -0.092 local terms energy: -22.254868 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -4.137 flat angles C4'-P-C4' energy: -5.637 flat angles P-C4'-P energy: -4.209 tors. eta vs tors. theta energy: -2.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 211 Temperature: 1.100000 Total energy: -30.433674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.433674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.433674 (E_RNA) where: Base-Base interactions energy: -11.735 where: short stacking energy: -11.735 Base-Backbone interact. energy: -0.088 local terms energy: -18.610430 where: bonds (distance) C4'-P energy: -5.091 bonds (distance) P-C4' energy: -4.401 flat angles C4'-P-C4' energy: -4.719 flat angles P-C4'-P energy: -4.680 tors. eta vs tors. theta energy: 0.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 211 Temperature: 1.150000 Total energy: -29.135158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.135158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.135158 (E_RNA) where: Base-Base interactions energy: -9.139 where: short stacking energy: -9.447 Base-Backbone interact. energy: -0.021 local terms energy: -19.975211 where: bonds (distance) C4'-P energy: -5.100 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.286 flat angles P-C4'-P energy: -2.016 tors. eta vs tors. theta energy: -0.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 211 Temperature: 1.200000 Total energy: -30.027241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.027241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.027241 (E_RNA) where: Base-Base interactions energy: -12.768 where: short stacking energy: -12.768 Base-Backbone interact. energy: -0.610 local terms energy: -16.649097 where: bonds (distance) C4'-P energy: -4.570 bonds (distance) P-C4' energy: -4.159 flat angles C4'-P-C4' energy: -4.824 flat angles P-C4'-P energy: -0.527 tors. eta vs tors. theta energy: -2.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 211 Temperature: 1.250000 Total energy: -31.190325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.190325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.190325 (E_RNA) where: Base-Base interactions energy: -11.135 where: short stacking energy: -11.135 Base-Backbone interact. energy: -0.095 local terms energy: -19.960230 where: bonds (distance) C4'-P energy: -4.939 bonds (distance) P-C4' energy: -5.530 flat angles C4'-P-C4' energy: -4.518 flat angles P-C4'-P energy: -4.771 tors. eta vs tors. theta energy: -0.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 211 Temperature: 1.300000 Total energy: -28.778112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.778112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.778112 (E_RNA) where: Base-Base interactions energy: -9.924 where: short stacking energy: -9.924 Base-Backbone interact. energy: -0.011 local terms energy: -18.842779 where: bonds (distance) C4'-P energy: -4.752 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -5.196 flat angles P-C4'-P energy: -1.237 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: 4 ===================================== Write number: 211 Temperature: 1.350000 Total energy: -25.842253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.842253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.842253 (E_RNA) where: Base-Base interactions energy: -6.290 where: short stacking energy: -6.290 Base-Backbone interact. energy: -0.000 local terms energy: -19.551894 where: bonds (distance) C4'-P energy: -6.006 bonds (distance) P-C4' energy: -6.199 flat angles C4'-P-C4' energy: -6.361 flat angles P-C4'-P energy: -1.556 tors. eta vs tors. theta energy: 0.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 212 Temperature: 0.900000 Total energy: -39.230521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.230521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.230521 (E_RNA) where: Base-Base interactions energy: -14.350 where: short stacking energy: -14.350 Base-Backbone interact. energy: -0.007 local terms energy: -24.874297 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -6.460 flat angles C4'-P-C4' energy: -3.562 flat angles P-C4'-P energy: -4.218 tors. eta vs tors. theta energy: -4.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 212 Temperature: 0.950000 Total energy: -37.227416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.227416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.227416 (E_RNA) where: Base-Base interactions energy: -12.949 where: short stacking energy: -12.949 Base-Backbone interact. energy: -0.000 local terms energy: -24.278099 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -4.892 flat angles C4'-P-C4' energy: -5.716 flat angles P-C4'-P energy: -3.915 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: 7 ===================================== Write number: 212 Temperature: 1.000000 Total energy: -38.434212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.434212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.434212 (E_RNA) where: Base-Base interactions energy: -14.004 where: short stacking energy: -14.004 Base-Backbone interact. energy: -0.044 local terms energy: -24.385526 where: bonds (distance) C4'-P energy: -4.639 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.292 flat angles P-C4'-P energy: -3.207 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: 4, replica: 6 ===================================== Write number: 212 Temperature: 1.050000 Total energy: -36.483918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.483918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.483918 (E_RNA) where: Base-Base interactions energy: -14.218 where: short stacking energy: -14.218 Base-Backbone interact. energy: -0.009 local terms energy: -22.256545 where: bonds (distance) C4'-P energy: -3.237 bonds (distance) P-C4' energy: -5.547 flat angles C4'-P-C4' energy: -5.483 flat angles P-C4'-P energy: -3.810 tors. eta vs tors. theta energy: -4.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 212 Temperature: 1.100000 Total energy: -30.894529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.894529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.894529 (E_RNA) where: Base-Base interactions energy: -8.601 where: short stacking energy: -8.601 Base-Backbone interact. energy: -1.175 local terms energy: -21.118178 where: bonds (distance) C4'-P energy: -4.160 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.473 flat angles P-C4'-P energy: -4.011 tors. eta vs tors. theta energy: -0.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 212 Temperature: 1.150000 Total energy: -33.099652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.099652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.099652 (E_RNA) where: Base-Base interactions energy: -8.093 where: short stacking energy: -8.093 Base-Backbone interact. energy: -0.006 local terms energy: -25.000464 where: bonds (distance) C4'-P energy: -4.541 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.955 flat angles P-C4'-P energy: -4.693 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: 7, replica: 1 ===================================== Write number: 212 Temperature: 1.200000 Total energy: -35.011285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.011285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.011285 (E_RNA) where: Base-Base interactions energy: -16.686 where: short stacking energy: -16.686 Base-Backbone interact. energy: -0.000 local terms energy: -18.324553 where: bonds (distance) C4'-P energy: -5.368 bonds (distance) P-C4' energy: -5.628 flat angles C4'-P-C4' energy: -3.387 flat angles P-C4'-P energy: -2.348 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: 8, replica: 8 ===================================== Write number: 212 Temperature: 1.250000 Total energy: -35.855790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.855790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.855790 (E_RNA) where: Base-Base interactions energy: -14.735 where: short stacking energy: -14.735 Base-Backbone interact. energy: -0.000 local terms energy: -21.120354 where: bonds (distance) C4'-P energy: -5.882 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -3.281 flat angles P-C4'-P energy: -1.062 tors. eta vs tors. theta energy: -4.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 212 Temperature: 1.300000 Total energy: -28.194178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.194178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.194178 (E_RNA) where: Base-Base interactions energy: -9.874 where: short stacking energy: -9.974 Base-Backbone interact. energy: -0.008 local terms energy: -18.312626 where: bonds (distance) C4'-P energy: -4.024 bonds (distance) P-C4' energy: -3.021 flat angles C4'-P-C4' energy: -6.287 flat angles P-C4'-P energy: -5.260 tors. eta vs tors. theta energy: 0.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 212 Temperature: 1.350000 Total energy: -30.498288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.498288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.498288 (E_RNA) where: Base-Base interactions energy: -11.038 where: short stacking energy: -11.038 Base-Backbone interact. energy: 0.095 local terms energy: -19.555310 where: bonds (distance) C4'-P energy: -4.603 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -5.361 flat angles P-C4'-P energy: -2.409 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: 10 ===================================== Write number: 213 Temperature: 0.900000 Total energy: -42.377951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.377951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.377951 (E_RNA) where: Base-Base interactions energy: -17.896 where: short stacking energy: -17.896 Base-Backbone interact. energy: -0.000 local terms energy: -24.481224 where: bonds (distance) C4'-P energy: -4.337 bonds (distance) P-C4' energy: -5.131 flat angles C4'-P-C4' energy: -5.741 flat angles P-C4'-P energy: -2.384 tors. eta vs tors. theta energy: -6.888 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: 2, replica: 7 ===================================== Write number: 213 Temperature: 0.950000 Total energy: -41.054373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.054373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.054373 (E_RNA) where: Base-Base interactions energy: -16.586 where: short stacking energy: -16.586 Base-Backbone interact. energy: -0.000 local terms energy: -24.468449 where: bonds (distance) C4'-P energy: -4.523 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -4.823 flat angles P-C4'-P energy: -4.640 tors. eta vs tors. theta energy: -4.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 213 Temperature: 1.000000 Total energy: -38.539048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.539048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.539048 (E_RNA) where: Base-Base interactions energy: -14.064 where: short stacking energy: -14.064 Base-Backbone interact. energy: -0.070 local terms energy: -24.405172 where: bonds (distance) C4'-P energy: -5.837 bonds (distance) P-C4' energy: -5.368 flat angles C4'-P-C4' energy: -5.869 flat angles P-C4'-P energy: -4.245 tors. eta vs tors. theta energy: -3.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 213 Temperature: 1.050000 Total energy: -37.472158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.472158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.472158 (E_RNA) where: Base-Base interactions energy: -12.286 where: short stacking energy: -12.286 Base-Backbone interact. energy: -0.003 local terms energy: -25.183260 where: bonds (distance) C4'-P energy: -5.191 bonds (distance) P-C4' energy: -5.597 flat angles C4'-P-C4' energy: -5.622 flat angles P-C4'-P energy: -4.430 tors. eta vs tors. theta energy: -4.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 213 Temperature: 1.100000 Total energy: -32.959549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.959549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.959549 (E_RNA) where: Base-Base interactions energy: -9.601 where: short stacking energy: -9.601 Base-Backbone interact. energy: -0.001 local terms energy: -23.357198 where: bonds (distance) C4'-P energy: -5.456 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -5.467 flat angles P-C4'-P energy: -3.652 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: 6, replica: 1 ===================================== Write number: 213 Temperature: 1.150000 Total energy: -37.464042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.464042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.464042 (E_RNA) where: Base-Base interactions energy: -11.560 where: short stacking energy: -11.560 Base-Backbone interact. energy: -0.000 local terms energy: -25.904129 where: bonds (distance) C4'-P energy: -4.554 bonds (distance) P-C4' energy: -5.833 flat angles C4'-P-C4' energy: -5.934 flat angles P-C4'-P energy: -5.169 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: 7, replica: 5 ===================================== Write number: 213 Temperature: 1.200000 Total energy: -34.972235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.972235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.972235 (E_RNA) where: Base-Base interactions energy: -11.973 where: short stacking energy: -11.973 Base-Backbone interact. energy: -0.000 local terms energy: -22.998930 where: bonds (distance) C4'-P energy: -3.932 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -4.068 flat angles P-C4'-P energy: -4.356 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: 8, replica: 4 ===================================== Write number: 213 Temperature: 1.250000 Total energy: -36.134586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.134586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.134586 (E_RNA) where: Base-Base interactions energy: -13.279 where: short stacking energy: -13.279 Base-Backbone interact. energy: -0.000 local terms energy: -22.855192 where: bonds (distance) C4'-P energy: -3.422 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -3.340 flat angles P-C4'-P energy: -5.260 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: 9, replica: 8 ===================================== Write number: 213 Temperature: 1.300000 Total energy: -33.845147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.845147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.845147 (E_RNA) where: Base-Base interactions energy: -16.315 where: short stacking energy: -16.315 Base-Backbone interact. energy: -0.000 local terms energy: -17.529287 where: bonds (distance) C4'-P energy: -1.258 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -3.382 flat angles P-C4'-P energy: -1.873 tors. eta vs tors. theta energy: -4.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 213 Temperature: 1.350000 Total energy: -32.811272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.811272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.811272 (E_RNA) where: Base-Base interactions energy: -8.594 where: short stacking energy: -8.594 Base-Backbone interact. energy: -0.050 local terms energy: -24.167074 where: bonds (distance) C4'-P energy: -4.967 bonds (distance) P-C4' energy: -5.889 flat angles C4'-P-C4' energy: -5.831 flat angles P-C4'-P energy: -4.632 tors. eta vs tors. theta energy: -2.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 214 Temperature: 0.900000 Total energy: -42.222213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.222213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.222213 (E_RNA) where: Base-Base interactions energy: -18.351 where: short stacking energy: -18.351 Base-Backbone interact. energy: -0.020 local terms energy: -23.850635 where: bonds (distance) C4'-P energy: -4.731 bonds (distance) P-C4' energy: -5.065 flat angles C4'-P-C4' energy: -6.509 flat angles P-C4'-P energy: -3.858 tors. eta vs tors. theta energy: -3.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 214 Temperature: 0.950000 Total energy: -35.602615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.602615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.602615 (E_RNA) where: Base-Base interactions energy: -14.554 where: short stacking energy: -14.554 Base-Backbone interact. energy: -0.000 local terms energy: -21.048152 where: bonds (distance) C4'-P energy: -6.246 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -2.529 flat angles P-C4'-P energy: -0.520 tors. eta vs tors. theta energy: -4.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 214 Temperature: 1.000000 Total energy: -34.441889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.441889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.441889 (E_RNA) where: Base-Base interactions energy: -12.209 where: short stacking energy: -12.209 Base-Backbone interact. energy: -0.000 local terms energy: -22.232285 where: bonds (distance) C4'-P energy: -5.199 bonds (distance) P-C4' energy: -6.358 flat angles C4'-P-C4' energy: -5.694 flat angles P-C4'-P energy: -4.007 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: 4, replica: 3 ===================================== Write number: 214 Temperature: 1.050000 Total energy: -37.917820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.917820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.917820 (E_RNA) where: Base-Base interactions energy: -17.705 where: short stacking energy: -17.705 Base-Backbone interact. energy: -0.000 local terms energy: -20.212348 where: bonds (distance) C4'-P energy: -0.860 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -6.166 flat angles P-C4'-P energy: -4.143 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: 5, replica: 1 ===================================== Write number: 214 Temperature: 1.100000 Total energy: -39.335954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.335954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.335954 (E_RNA) where: Base-Base interactions energy: -14.181 where: short stacking energy: -14.181 Base-Backbone interact. energy: -0.000 local terms energy: -25.155216 where: bonds (distance) C4'-P energy: -4.035 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -6.049 flat angles P-C4'-P energy: -3.919 tors. eta vs tors. theta energy: -4.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 214 Temperature: 1.150000 Total energy: -33.343952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.343952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.343952 (E_RNA) where: Base-Base interactions energy: -10.299 where: short stacking energy: -9.156 Base-Backbone interact. energy: -0.041 local terms energy: -23.004500 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -6.468 flat angles P-C4'-P energy: -4.113 tors. eta vs tors. theta energy: -2.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 214 Temperature: 1.200000 Total energy: -34.071096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.071096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.071096 (E_RNA) where: Base-Base interactions energy: -11.176 where: short stacking energy: -11.176 Base-Backbone interact. energy: -0.027 local terms energy: -22.868580 where: bonds (distance) C4'-P energy: -4.963 bonds (distance) P-C4' energy: -7.130 flat angles C4'-P-C4' energy: -3.762 flat angles P-C4'-P energy: -3.914 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: 8, replica: 5 ===================================== Write number: 214 Temperature: 1.250000 Total energy: -30.822753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.822753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.822753 (E_RNA) where: Base-Base interactions energy: -8.800 where: short stacking energy: -8.800 Base-Backbone interact. energy: -0.009 local terms energy: -22.013715 where: bonds (distance) C4'-P energy: -5.600 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -2.654 flat angles P-C4'-P energy: -2.697 tors. eta vs tors. theta energy: -4.613 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: 8 ===================================== Write number: 214 Temperature: 1.300000 Total energy: -33.942824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.942824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.942824 (E_RNA) where: Base-Base interactions energy: -12.754 where: short stacking energy: -12.754 Base-Backbone interact. energy: -0.028 local terms energy: -21.160997 where: bonds (distance) C4'-P energy: -5.029 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -5.886 flat angles P-C4'-P energy: -2.262 tors. eta vs tors. theta energy: -1.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 214 Temperature: 1.350000 Total energy: -30.571351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.571351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.571351 (E_RNA) where: Base-Base interactions energy: -8.793 where: short stacking energy: -8.793 Base-Backbone interact. energy: 1.076 local terms energy: -22.854233 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -6.202 flat angles C4'-P-C4' energy: -4.308 flat angles P-C4'-P energy: -3.821 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: 1, replica: 7 ===================================== Write number: 215 Temperature: 0.900000 Total energy: -38.234060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.234060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.234060 (E_RNA) where: Base-Base interactions energy: -16.194 where: short stacking energy: -16.194 Base-Backbone interact. energy: -0.000 local terms energy: -22.040492 where: bonds (distance) C4'-P energy: -5.766 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -5.202 flat angles P-C4'-P energy: -3.269 tors. eta vs tors. theta energy: -1.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 215 Temperature: 0.950000 Total energy: -40.831292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.831292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.831292 (E_RNA) where: Base-Base interactions energy: -17.533 where: short stacking energy: -17.533 Base-Backbone interact. energy: -0.003 local terms energy: -23.295020 where: bonds (distance) C4'-P energy: -4.019 bonds (distance) P-C4' energy: -6.407 flat angles C4'-P-C4' energy: -5.689 flat angles P-C4'-P energy: -3.039 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: 3, replica: 10 ===================================== Write number: 215 Temperature: 1.000000 Total energy: -37.569979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.569979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.569979 (E_RNA) where: Base-Base interactions energy: -14.208 where: short stacking energy: -14.208 Base-Backbone interact. energy: -0.217 local terms energy: -23.145107 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -5.940 flat angles P-C4'-P energy: -2.640 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: 4, replica: 3 ===================================== Write number: 215 Temperature: 1.050000 Total energy: -35.020401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.020401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.020401 (E_RNA) where: Base-Base interactions energy: -10.721 where: short stacking energy: -10.721 Base-Backbone interact. energy: -0.001 local terms energy: -24.298690 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -6.692 flat angles P-C4'-P energy: -1.824 tors. eta vs tors. theta energy: -3.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 215 Temperature: 1.100000 Total energy: -37.390870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.390870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.390870 (E_RNA) where: Base-Base interactions energy: -12.947 where: short stacking energy: -12.947 Base-Backbone interact. energy: -0.000 local terms energy: -24.443817 where: bonds (distance) C4'-P energy: -6.139 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.696 flat angles P-C4'-P energy: -2.738 tors. eta vs tors. theta energy: -3.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 215 Temperature: 1.150000 Total energy: -38.028617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.028617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.028617 (E_RNA) where: Base-Base interactions energy: -12.770 where: short stacking energy: -12.770 Base-Backbone interact. energy: -0.026 local terms energy: -25.232201 where: bonds (distance) C4'-P energy: -4.238 bonds (distance) P-C4' energy: -5.194 flat angles C4'-P-C4' energy: -6.158 flat angles P-C4'-P energy: -5.118 tors. eta vs tors. theta energy: -4.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 215 Temperature: 1.200000 Total energy: -34.870248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.870248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.870248 (E_RNA) where: Base-Base interactions energy: -13.147 where: short stacking energy: -13.147 Base-Backbone interact. energy: -0.051 local terms energy: -21.672211 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -6.886 flat angles C4'-P-C4' energy: -3.664 flat angles P-C4'-P energy: -4.460 tors. eta vs tors. theta energy: -1.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 215 Temperature: 1.250000 Total energy: -31.964071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.964071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.964071 (E_RNA) where: Base-Base interactions energy: -10.873 where: short stacking energy: -11.997 Base-Backbone interact. energy: -0.054 local terms energy: -21.037096 where: bonds (distance) C4'-P energy: -2.731 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -4.859 flat angles P-C4'-P energy: -4.021 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: 5 ===================================== Write number: 215 Temperature: 1.300000 Total energy: -28.023027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.023027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.023027 (E_RNA) where: Base-Base interactions energy: -8.692 where: short stacking energy: -8.692 Base-Backbone interact. energy: -0.013 local terms energy: -19.318211 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -4.199 flat angles C4'-P-C4' energy: -2.894 flat angles P-C4'-P energy: -4.878 tors. eta vs tors. theta energy: -1.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 215 Temperature: 1.350000 Total energy: -28.681389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.681389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.681389 (E_RNA) where: Base-Base interactions energy: -7.269 where: short stacking energy: -7.269 Base-Backbone interact. energy: -0.001 local terms energy: -21.411157 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -3.094 flat angles P-C4'-P energy: -2.979 tors. eta vs tors. theta energy: -2.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 216 Temperature: 0.900000 Total energy: -44.510347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.510347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.510347 (E_RNA) where: Base-Base interactions energy: -18.457 where: short stacking energy: -14.426 Base-Backbone interact. energy: -0.002 local terms energy: -26.052062 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.128 flat angles C4'-P-C4' energy: -4.400 flat angles P-C4'-P energy: -5.164 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: 7 ===================================== Write number: 216 Temperature: 0.950000 Total energy: -41.522211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.522211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.522211 (E_RNA) where: Base-Base interactions energy: -16.153 where: short stacking energy: -16.153 Base-Backbone interact. energy: -0.000 local terms energy: -25.369417 where: bonds (distance) C4'-P energy: -4.346 bonds (distance) P-C4' energy: -5.896 flat angles C4'-P-C4' energy: -6.328 flat angles P-C4'-P energy: -4.395 tors. eta vs tors. theta energy: -4.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 216 Temperature: 1.000000 Total energy: -38.096544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.096544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.096544 (E_RNA) where: Base-Base interactions energy: -13.459 where: short stacking energy: -13.459 Base-Backbone interact. energy: -0.001 local terms energy: -24.636437 where: bonds (distance) C4'-P energy: -5.617 bonds (distance) P-C4' energy: -6.457 flat angles C4'-P-C4' energy: -4.700 flat angles P-C4'-P energy: -4.174 tors. eta vs tors. theta energy: -3.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 216 Temperature: 1.050000 Total energy: -42.144446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.144446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.144446 (E_RNA) where: Base-Base interactions energy: -17.661 where: short stacking energy: -17.661 Base-Backbone interact. energy: -0.000 local terms energy: -24.483407 where: bonds (distance) C4'-P energy: -4.523 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.384 flat angles P-C4'-P energy: -4.380 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: 5, replica: 4 ===================================== Write number: 216 Temperature: 1.100000 Total energy: -34.117662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.117662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.117662 (E_RNA) where: Base-Base interactions energy: -9.472 where: short stacking energy: -9.472 Base-Backbone interact. energy: -0.080 local terms energy: -24.565037 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -5.600 flat angles C4'-P-C4' energy: -5.180 flat angles P-C4'-P energy: -4.946 tors. eta vs tors. theta energy: -2.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 216 Temperature: 1.150000 Total energy: -32.526883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.526883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.526883 (E_RNA) where: Base-Base interactions energy: -9.558 where: short stacking energy: -9.558 Base-Backbone interact. energy: -0.000 local terms energy: -22.968833 where: bonds (distance) C4'-P energy: -5.269 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -1.364 flat angles P-C4'-P energy: -5.393 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: 7, replica: 8 ===================================== Write number: 216 Temperature: 1.200000 Total energy: -31.601324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.601324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.601324 (E_RNA) where: Base-Base interactions energy: -8.427 where: short stacking energy: -8.427 Base-Backbone interact. energy: -0.000 local terms energy: -23.174401 where: bonds (distance) C4'-P energy: -5.572 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -3.970 flat angles P-C4'-P energy: -2.459 tors. eta vs tors. theta energy: -4.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 216 Temperature: 1.250000 Total energy: -32.360571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.360571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.360571 (E_RNA) where: Base-Base interactions energy: -9.091 where: short stacking energy: -9.091 Base-Backbone interact. energy: -0.000 local terms energy: -23.269921 where: bonds (distance) C4'-P energy: -2.546 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -5.286 flat angles P-C4'-P energy: -4.865 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: 9, replica: 2 ===================================== Write number: 216 Temperature: 1.300000 Total energy: -30.934723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.934723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.934723 (E_RNA) where: Base-Base interactions energy: -12.284 where: short stacking energy: -12.284 Base-Backbone interact. energy: -0.000 local terms energy: -18.650652 where: bonds (distance) C4'-P energy: -5.099 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -3.050 flat angles P-C4'-P energy: -2.055 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: 10, replica: 5 ===================================== Write number: 216 Temperature: 1.350000 Total energy: -27.334999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.334999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.334999 (E_RNA) where: Base-Base interactions energy: -9.381 where: short stacking energy: -9.381 Base-Backbone interact. energy: -0.113 local terms energy: -17.840793 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -4.991 flat angles C4'-P-C4' energy: -3.897 flat angles P-C4'-P energy: -2.739 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: 9 ===================================== Write number: 217 Temperature: 0.900000 Total energy: -39.799832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.799832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.799832 (E_RNA) where: Base-Base interactions energy: -17.782 where: short stacking energy: -17.782 Base-Backbone interact. energy: -0.005 local terms energy: -22.012239 where: bonds (distance) C4'-P energy: -5.866 bonds (distance) P-C4' energy: -5.966 flat angles C4'-P-C4' energy: -5.209 flat angles P-C4'-P energy: -4.033 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: 2, replica: 3 ===================================== Write number: 217 Temperature: 0.950000 Total energy: -40.449727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.449727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.449727 (E_RNA) where: Base-Base interactions energy: -13.251 where: short stacking energy: -14.085 Base-Backbone interact. energy: -1.156 local terms energy: -26.043218 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -5.004 flat angles P-C4'-P energy: -4.888 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: 3, replica: 7 ===================================== Write number: 217 Temperature: 1.000000 Total energy: -36.705863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.705863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.705863 (E_RNA) where: Base-Base interactions energy: -12.282 where: short stacking energy: -12.282 Base-Backbone interact. energy: -0.000 local terms energy: -24.423572 where: bonds (distance) C4'-P energy: -5.047 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -5.258 flat angles P-C4'-P energy: -3.720 tors. eta vs tors. theta energy: -4.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 217 Temperature: 1.050000 Total energy: -33.356101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.356101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.356101 (E_RNA) where: Base-Base interactions energy: -10.379 where: short stacking energy: -10.379 Base-Backbone interact. energy: -0.000 local terms energy: -22.977392 where: bonds (distance) C4'-P energy: -4.897 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -4.717 flat angles P-C4'-P energy: -3.589 tors. eta vs tors. theta energy: -2.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 217 Temperature: 1.100000 Total energy: -34.592540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.592540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.592540 (E_RNA) where: Base-Base interactions energy: -12.081 where: short stacking energy: -12.081 Base-Backbone interact. energy: 0.207 local terms energy: -22.719125 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -4.392 flat angles C4'-P-C4' energy: -5.037 flat angles P-C4'-P energy: -4.161 tors. eta vs tors. theta energy: -2.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 217 Temperature: 1.150000 Total energy: -33.023651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.023651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.023651 (E_RNA) where: Base-Base interactions energy: -12.947 where: short stacking energy: -12.947 Base-Backbone interact. energy: -0.004 local terms energy: -20.072443 where: bonds (distance) C4'-P energy: -5.099 bonds (distance) P-C4' energy: -6.231 flat angles C4'-P-C4' energy: -3.342 flat angles P-C4'-P energy: -3.671 tors. eta vs tors. theta energy: -1.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 217 Temperature: 1.200000 Total energy: -34.139120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.139120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.139120 (E_RNA) where: Base-Base interactions energy: -9.753 where: short stacking energy: -9.753 Base-Backbone interact. energy: -0.000 local terms energy: -24.386106 where: bonds (distance) C4'-P energy: -4.619 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -4.775 flat angles P-C4'-P energy: -4.407 tors. eta vs tors. theta energy: -4.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 217 Temperature: 1.250000 Total energy: -35.222036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.222036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.222036 (E_RNA) where: Base-Base interactions energy: -13.193 where: short stacking energy: -13.193 Base-Backbone interact. energy: -0.001 local terms energy: -22.027479 where: bonds (distance) C4'-P energy: -5.191 bonds (distance) P-C4' energy: -6.174 flat angles C4'-P-C4' energy: -4.254 flat angles P-C4'-P energy: -4.332 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: 9, replica: 6 ===================================== Write number: 217 Temperature: 1.300000 Total energy: -31.448797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.448797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.448797 (E_RNA) where: Base-Base interactions energy: -12.080 where: short stacking energy: -12.080 Base-Backbone interact. energy: -0.004 local terms energy: -19.365030 where: bonds (distance) C4'-P energy: -1.917 bonds (distance) P-C4' energy: -6.094 flat angles C4'-P-C4' energy: -3.123 flat angles P-C4'-P energy: -4.972 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: 10, replica: 5 ===================================== Write number: 217 Temperature: 1.350000 Total energy: -30.346511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.346511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.346511 (E_RNA) where: Base-Base interactions energy: -9.794 where: short stacking energy: -9.794 Base-Backbone interact. energy: -0.000 local terms energy: -20.552633 where: bonds (distance) C4'-P energy: -4.611 bonds (distance) P-C4' energy: -5.364 flat angles C4'-P-C4' energy: -2.691 flat angles P-C4'-P energy: -3.977 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: 1, replica: 3 ===================================== Write number: 218 Temperature: 0.900000 Total energy: -36.391536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.391536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.391536 (E_RNA) where: Base-Base interactions energy: -13.250 where: short stacking energy: -13.250 Base-Backbone interact. energy: -0.001 local terms energy: -23.140459 where: bonds (distance) C4'-P energy: -5.837 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -5.752 flat angles P-C4'-P energy: -1.279 tors. eta vs tors. theta energy: -4.525 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: 9 ===================================== Write number: 218 Temperature: 0.950000 Total energy: -35.676313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.676313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.676313 (E_RNA) where: Base-Base interactions energy: -13.370 where: short stacking energy: -13.370 Base-Backbone interact. energy: -0.087 local terms energy: -22.219531 where: bonds (distance) C4'-P energy: -5.580 bonds (distance) P-C4' energy: -4.653 flat angles C4'-P-C4' energy: -5.358 flat angles P-C4'-P energy: -4.162 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: 3, replica: 4 ===================================== Write number: 218 Temperature: 1.000000 Total energy: -38.252653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.252653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.252653 (E_RNA) where: Base-Base interactions energy: -13.036 where: short stacking energy: -13.036 Base-Backbone interact. energy: -0.000 local terms energy: -25.216177 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -5.899 flat angles P-C4'-P energy: -3.262 tors. eta vs tors. theta energy: -3.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 218 Temperature: 1.050000 Total energy: -36.881265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.881265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.881265 (E_RNA) where: Base-Base interactions energy: -13.127 where: short stacking energy: -13.127 Base-Backbone interact. energy: -0.000 local terms energy: -23.754402 where: bonds (distance) C4'-P energy: -6.105 bonds (distance) P-C4' energy: -5.604 flat angles C4'-P-C4' energy: -3.688 flat angles P-C4'-P energy: -4.568 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: 5, replica: 8 ===================================== Write number: 218 Temperature: 1.100000 Total energy: -35.334952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.334952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.334952 (E_RNA) where: Base-Base interactions energy: -14.471 where: short stacking energy: -14.471 Base-Backbone interact. energy: -0.364 local terms energy: -20.499660 where: bonds (distance) C4'-P energy: -4.247 bonds (distance) P-C4' energy: -4.967 flat angles C4'-P-C4' energy: -3.987 flat angles P-C4'-P energy: -5.031 tors. eta vs tors. theta energy: -2.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 218 Temperature: 1.150000 Total energy: -38.773630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.773630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.773630 (E_RNA) where: Base-Base interactions energy: -13.078 where: short stacking energy: -13.078 Base-Backbone interact. energy: -0.035 local terms energy: -25.660582 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -5.829 flat angles P-C4'-P energy: -3.636 tors. eta vs tors. theta energy: -3.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 218 Temperature: 1.200000 Total energy: -32.445718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.445718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.445718 (E_RNA) where: Base-Base interactions energy: -9.152 where: short stacking energy: -9.152 Base-Backbone interact. energy: -0.000 local terms energy: -23.293305 where: bonds (distance) C4'-P energy: -5.998 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.065 flat angles P-C4'-P energy: -1.803 tors. eta vs tors. theta energy: -3.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 218 Temperature: 1.250000 Total energy: -32.324017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.324017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.324017 (E_RNA) where: Base-Base interactions energy: -10.966 where: short stacking energy: -10.966 Base-Backbone interact. energy: -0.080 local terms energy: -21.278239 where: bonds (distance) C4'-P energy: -6.354 bonds (distance) P-C4' energy: -5.830 flat angles C4'-P-C4' energy: -5.324 flat angles P-C4'-P energy: -2.489 tors. eta vs tors. theta energy: -1.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 218 Temperature: 1.300000 Total energy: -27.512683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.512683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.512683 (E_RNA) where: Base-Base interactions energy: -10.126 where: short stacking energy: -10.126 Base-Backbone interact. energy: -0.000 local terms energy: -17.386186 where: bonds (distance) C4'-P energy: -4.988 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -5.220 flat angles P-C4'-P energy: -1.978 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: 6 ===================================== Write number: 218 Temperature: 1.350000 Total energy: -28.836644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.836644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.836644 (E_RNA) where: Base-Base interactions energy: -8.054 where: short stacking energy: -8.054 Base-Backbone interact. energy: -0.123 local terms energy: -20.659431 where: bonds (distance) C4'-P energy: -6.044 bonds (distance) P-C4' energy: -5.674 flat angles C4'-P-C4' energy: -4.314 flat angles P-C4'-P energy: -4.266 tors. eta vs tors. theta energy: -0.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 219 Temperature: 0.900000 Total energy: -38.141480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.141480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.141480 (E_RNA) where: Base-Base interactions energy: -12.572 where: short stacking energy: -12.572 Base-Backbone interact. energy: -0.710 local terms energy: -24.860119 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.729 flat angles P-C4'-P energy: -5.259 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: 2, replica: 4 ===================================== Write number: 219 Temperature: 0.950000 Total energy: -41.610182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.610182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.610182 (E_RNA) where: Base-Base interactions energy: -15.910 where: short stacking energy: -15.910 Base-Backbone interact. energy: -0.000 local terms energy: -25.699709 where: bonds (distance) C4'-P energy: -6.139 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -4.937 flat angles P-C4'-P energy: -2.960 tors. eta vs tors. theta energy: -4.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 219 Temperature: 1.000000 Total energy: -38.196108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.196108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.196108 (E_RNA) where: Base-Base interactions energy: -13.840 where: short stacking energy: -13.840 Base-Backbone interact. energy: -0.036 local terms energy: -24.319773 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -4.816 flat angles P-C4'-P energy: -4.242 tors. eta vs tors. theta energy: -3.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 219 Temperature: 1.050000 Total energy: -38.344316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.344316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.344316 (E_RNA) where: Base-Base interactions energy: -13.732 where: short stacking energy: -13.732 Base-Backbone interact. energy: -0.015 local terms energy: -24.597420 where: bonds (distance) C4'-P energy: -5.510 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -5.744 flat angles P-C4'-P energy: -5.153 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: 5, replica: 7 ===================================== Write number: 219 Temperature: 1.100000 Total energy: -32.840779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.840779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.840779 (E_RNA) where: Base-Base interactions energy: -7.199 where: short stacking energy: -7.199 Base-Backbone interact. energy: -0.000 local terms energy: -25.641192 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -5.696 flat angles P-C4'-P energy: -4.212 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: 6, replica: 10 ===================================== Write number: 219 Temperature: 1.150000 Total energy: -32.025068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.025068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.025068 (E_RNA) where: Base-Base interactions energy: -13.565 where: short stacking energy: -13.565 Base-Backbone interact. energy: -0.001 local terms energy: -18.459507 where: bonds (distance) C4'-P energy: -4.731 bonds (distance) P-C4' energy: -6.189 flat angles C4'-P-C4' energy: -3.248 flat angles P-C4'-P energy: -0.000 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: 7, replica: 2 ===================================== Write number: 219 Temperature: 1.200000 Total energy: -35.160004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.160004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.160004 (E_RNA) where: Base-Base interactions energy: -10.799 where: short stacking energy: -10.799 Base-Backbone interact. energy: 0.082 local terms energy: -24.443063 where: bonds (distance) C4'-P energy: -5.501 bonds (distance) P-C4' energy: -6.122 flat angles C4'-P-C4' energy: -4.719 flat angles P-C4'-P energy: -4.594 tors. eta vs tors. theta energy: -3.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 219 Temperature: 1.250000 Total energy: -26.141657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.141657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.141657 (E_RNA) where: Base-Base interactions energy: -4.322 where: short stacking energy: -4.322 Base-Backbone interact. energy: -0.011 local terms energy: -21.809040 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -5.916 flat angles C4'-P-C4' energy: -5.925 flat angles P-C4'-P energy: -3.672 tors. eta vs tors. theta energy: -0.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 219 Temperature: 1.300000 Total energy: -30.793582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.793582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.793582 (E_RNA) where: Base-Base interactions energy: -9.913 where: short stacking energy: -9.913 Base-Backbone interact. energy: -0.002 local terms energy: -20.878525 where: bonds (distance) C4'-P energy: -5.766 bonds (distance) P-C4' energy: -5.336 flat angles C4'-P-C4' energy: -5.986 flat angles P-C4'-P energy: -1.921 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: 10, replica: 6 ===================================== Write number: 219 Temperature: 1.350000 Total energy: -30.981472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.981472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.981472 (E_RNA) where: Base-Base interactions energy: -7.901 where: short stacking energy: -7.901 Base-Backbone interact. energy: -0.023 local terms energy: -23.058125 where: bonds (distance) C4'-P energy: -6.354 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -3.819 flat angles P-C4'-P energy: -5.082 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: 1, replica: 4 ===================================== Write number: 220 Temperature: 0.900000 Total energy: -38.277795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.277795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.277795 (E_RNA) where: Base-Base interactions energy: -14.116 where: short stacking energy: -14.116 Base-Backbone interact. energy: -0.001 local terms energy: -24.161156 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -5.699 flat angles C4'-P-C4' energy: -5.760 flat angles P-C4'-P energy: -5.230 tors. eta vs tors. theta energy: -2.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 220 Temperature: 0.950000 Total energy: -33.341644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.341644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.341644 (E_RNA) where: Base-Base interactions energy: -12.166 where: short stacking energy: -12.166 Base-Backbone interact. energy: -0.083 local terms energy: -21.092664 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -6.236 flat angles P-C4'-P energy: -3.617 tors. eta vs tors. theta energy: 1.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 220 Temperature: 1.000000 Total energy: -40.901352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.901352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.901352 (E_RNA) where: Base-Base interactions energy: -17.370 where: short stacking energy: -17.370 Base-Backbone interact. energy: -0.000 local terms energy: -23.530848 where: bonds (distance) C4'-P energy: -5.572 bonds (distance) P-C4' energy: -3.811 flat angles C4'-P-C4' energy: -6.152 flat angles P-C4'-P energy: -2.699 tors. eta vs tors. theta energy: -5.296 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: 9 ===================================== Write number: 220 Temperature: 1.050000 Total energy: -36.573626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.573626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.573626 (E_RNA) where: Base-Base interactions energy: -12.563 where: short stacking energy: -12.563 Base-Backbone interact. energy: -0.011 local terms energy: -23.999607 where: bonds (distance) C4'-P energy: -4.632 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -3.818 flat angles P-C4'-P energy: -4.238 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: 5, replica: 10 ===================================== Write number: 220 Temperature: 1.100000 Total energy: -38.018596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.018596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.018596 (E_RNA) where: Base-Base interactions energy: -12.445 where: short stacking energy: -12.445 Base-Backbone interact. energy: -0.000 local terms energy: -25.574041 where: bonds (distance) C4'-P energy: -3.030 bonds (distance) P-C4' energy: -6.417 flat angles C4'-P-C4' energy: -5.479 flat angles P-C4'-P energy: -4.722 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: 6, replica: 7 ===================================== Write number: 220 Temperature: 1.150000 Total energy: -34.060367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.060367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.060367 (E_RNA) where: Base-Base interactions energy: -11.448 where: short stacking energy: -11.448 Base-Backbone interact. energy: -0.000 local terms energy: -22.612541 where: bonds (distance) C4'-P energy: -5.518 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -4.056 flat angles P-C4'-P energy: -3.480 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: 7, replica: 5 ===================================== Write number: 220 Temperature: 1.200000 Total energy: -29.836344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.836344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.836344 (E_RNA) where: Base-Base interactions energy: -7.620 where: short stacking energy: -7.620 Base-Backbone interact. energy: -0.087 local terms energy: -22.129502 where: bonds (distance) C4'-P energy: -5.179 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -5.971 flat angles P-C4'-P energy: -4.964 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: 8, replica: 2 ===================================== Write number: 220 Temperature: 1.250000 Total energy: -34.053462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.053462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.053462 (E_RNA) where: Base-Base interactions energy: -12.807 where: short stacking energy: -12.807 Base-Backbone interact. energy: -0.001 local terms energy: -21.245146 where: bonds (distance) C4'-P energy: -4.682 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -6.024 flat angles P-C4'-P energy: -0.594 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: 6 ===================================== Write number: 220 Temperature: 1.300000 Total energy: -33.091898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.091898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.091898 (E_RNA) where: Base-Base interactions energy: -9.868 where: short stacking energy: -9.868 Base-Backbone interact. energy: -0.000 local terms energy: -23.223943 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -5.353 flat angles P-C4'-P energy: -3.942 tors. eta vs tors. theta energy: -1.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 220 Temperature: 1.350000 Total energy: -27.162611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.162611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.162611 (E_RNA) where: Base-Base interactions energy: -7.636 where: short stacking energy: -7.636 Base-Backbone interact. energy: -0.013 local terms energy: -19.513232 where: bonds (distance) C4'-P energy: -5.357 bonds (distance) P-C4' energy: -5.723 flat angles C4'-P-C4' energy: -6.415 flat angles P-C4'-P energy: -0.340 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: 1, replica: 4 ===================================== Write number: 221 Temperature: 0.900000 Total energy: -37.069537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.069537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.069537 (E_RNA) where: Base-Base interactions energy: -13.526 where: short stacking energy: -13.526 Base-Backbone interact. energy: 0.114 local terms energy: -23.656694 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.803 flat angles P-C4'-P energy: -3.210 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: 2, replica: 8 ===================================== Write number: 221 Temperature: 0.950000 Total energy: -39.003838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.003838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.003838 (E_RNA) where: Base-Base interactions energy: -15.963 where: short stacking energy: -15.963 Base-Backbone interact. energy: -0.009 local terms energy: -23.031919 where: bonds (distance) C4'-P energy: -3.299 bonds (distance) P-C4' energy: -5.830 flat angles C4'-P-C4' energy: -5.536 flat angles P-C4'-P energy: -4.330 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: 3, replica: 3 ===================================== Write number: 221 Temperature: 1.000000 Total energy: -37.489153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.489153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.489153 (E_RNA) where: Base-Base interactions energy: -14.834 where: short stacking energy: -14.834 Base-Backbone interact. energy: -0.001 local terms energy: -22.653933 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -5.128 flat angles C4'-P-C4' energy: -4.110 flat angles P-C4'-P energy: -3.396 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: 4, replica: 10 ===================================== Write number: 221 Temperature: 1.050000 Total energy: -32.891302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.891302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.891302 (E_RNA) where: Base-Base interactions energy: -13.492 where: short stacking energy: -13.492 Base-Backbone interact. energy: -0.139 local terms energy: -19.260517 where: bonds (distance) C4'-P energy: -3.981 bonds (distance) P-C4' energy: -4.702 flat angles C4'-P-C4' energy: -6.151 flat angles P-C4'-P energy: -3.390 tors. eta vs tors. theta energy: -1.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 221 Temperature: 1.100000 Total energy: -36.666034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.666034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.666034 (E_RNA) where: Base-Base interactions energy: -13.339 where: short stacking energy: -13.339 Base-Backbone interact. energy: -0.100 local terms energy: -23.227037 where: bonds (distance) C4'-P energy: -4.268 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -4.775 flat angles P-C4'-P energy: -3.071 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: 6, replica: 5 ===================================== Write number: 221 Temperature: 1.150000 Total energy: -34.143765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.143765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.143765 (E_RNA) where: Base-Base interactions energy: -8.985 where: short stacking energy: -8.985 Base-Backbone interact. energy: -0.000 local terms energy: -25.158409 where: bonds (distance) C4'-P energy: -5.998 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -4.108 flat angles P-C4'-P energy: -4.495 tors. eta vs tors. theta energy: -3.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 221 Temperature: 1.200000 Total energy: -36.916097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.916097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.916097 (E_RNA) where: Base-Base interactions energy: -13.100 where: short stacking energy: -13.100 Base-Backbone interact. energy: -0.010 local terms energy: -23.805590 where: bonds (distance) C4'-P energy: -3.361 bonds (distance) P-C4' energy: -6.873 flat angles C4'-P-C4' energy: -6.122 flat angles P-C4'-P energy: -3.843 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: 6 ===================================== Write number: 221 Temperature: 1.250000 Total energy: -33.362856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.362856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.362856 (E_RNA) where: Base-Base interactions energy: -11.836 where: short stacking energy: -11.836 Base-Backbone interact. energy: -0.002 local terms energy: -21.525693 where: bonds (distance) C4'-P energy: -4.673 bonds (distance) P-C4' energy: -5.082 flat angles C4'-P-C4' energy: -5.883 flat angles P-C4'-P energy: -4.197 tors. eta vs tors. theta energy: -1.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 221 Temperature: 1.300000 Total energy: -29.202495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.202495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.202495 (E_RNA) where: Base-Base interactions energy: -9.608 where: short stacking energy: -9.608 Base-Backbone interact. energy: -0.000 local terms energy: -19.594088 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -2.408 flat angles P-C4'-P energy: -3.128 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: 10, replica: 1 ===================================== Write number: 221 Temperature: 1.350000 Total energy: -29.527318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.527318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.527318 (E_RNA) where: Base-Base interactions energy: -8.630 where: short stacking energy: -8.630 Base-Backbone interact. energy: -0.012 local terms energy: -20.885751 where: bonds (distance) C4'-P energy: -3.104 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -5.847 flat angles P-C4'-P energy: -3.894 tors. eta vs tors. theta energy: -1.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 222 Temperature: 0.900000 Total energy: -45.479668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.479668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.479668 (E_RNA) where: Base-Base interactions energy: -17.410 where: short stacking energy: -17.410 Base-Backbone interact. energy: -0.000 local terms energy: -28.069755 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -6.448 flat angles P-C4'-P energy: -3.442 tors. eta vs tors. theta energy: -5.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 222 Temperature: 0.950000 Total energy: -37.270086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.270086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.270086 (E_RNA) where: Base-Base interactions energy: -14.758 where: short stacking energy: -14.758 Base-Backbone interact. energy: -0.020 local terms energy: -22.492701 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -4.857 flat angles P-C4'-P energy: -3.763 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: 3, replica: 10 ===================================== Write number: 222 Temperature: 1.000000 Total energy: -35.798662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.798662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.798662 (E_RNA) where: Base-Base interactions energy: -13.906 where: short stacking energy: -13.906 Base-Backbone interact. energy: -0.002 local terms energy: -21.891206 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -7.144 flat angles C4'-P-C4' energy: -3.786 flat angles P-C4'-P energy: -1.150 tors. eta vs tors. theta energy: -3.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 222 Temperature: 1.050000 Total energy: -37.808136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.808136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.808136 (E_RNA) where: Base-Base interactions energy: -12.195 where: short stacking energy: -12.195 Base-Backbone interact. energy: -0.001 local terms energy: -25.612948 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -4.187 flat angles P-C4'-P energy: -3.691 tors. eta vs tors. theta energy: -5.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 222 Temperature: 1.100000 Total energy: -31.104386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.104386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.104386 (E_RNA) where: Base-Base interactions energy: -11.487 where: short stacking energy: -11.487 Base-Backbone interact. energy: -0.006 local terms energy: -19.611504 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -4.317 flat angles P-C4'-P energy: -3.043 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: 6, replica: 9 ===================================== Write number: 222 Temperature: 1.150000 Total energy: -34.321326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.321326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.321326 (E_RNA) where: Base-Base interactions energy: -13.902 where: short stacking energy: -13.902 Base-Backbone interact. energy: -0.105 local terms energy: -20.314990 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -3.150 flat angles P-C4'-P energy: -2.914 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: 7, replica: 6 ===================================== Write number: 222 Temperature: 1.200000 Total energy: -32.107821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.107821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.107821 (E_RNA) where: Base-Base interactions energy: -12.443 where: short stacking energy: -12.443 Base-Backbone interact. energy: -0.093 local terms energy: -19.571096 where: bonds (distance) C4'-P energy: -2.802 bonds (distance) P-C4' energy: -4.275 flat angles C4'-P-C4' energy: -4.645 flat angles P-C4'-P energy: -3.940 tors. eta vs tors. theta energy: -3.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 222 Temperature: 1.250000 Total energy: -25.840596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.840596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.840596 (E_RNA) where: Base-Base interactions energy: -11.536 where: short stacking energy: -11.536 Base-Backbone interact. energy: -0.065 local terms energy: -14.240240 where: bonds (distance) C4'-P energy: -5.277 bonds (distance) P-C4' energy: -5.103 flat angles C4'-P-C4' energy: -1.877 flat angles P-C4'-P energy: -2.582 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: 1 ===================================== Write number: 222 Temperature: 1.300000 Total energy: -29.655213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.655213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.655213 (E_RNA) where: Base-Base interactions energy: -8.960 where: short stacking energy: -8.960 Base-Backbone interact. energy: -0.002 local terms energy: -20.693588 where: bonds (distance) C4'-P energy: -4.985 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -3.431 flat angles P-C4'-P energy: -4.266 tors. eta vs tors. theta energy: -2.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 222 Temperature: 1.350000 Total energy: -29.953457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.953457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.953457 (E_RNA) where: Base-Base interactions energy: -5.507 where: short stacking energy: -5.507 Base-Backbone interact. energy: -0.000 local terms energy: -24.446251 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -6.886 flat angles C4'-P-C4' energy: -6.346 flat angles P-C4'-P energy: -4.751 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: 8 ===================================== Write number: 223 Temperature: 0.900000 Total energy: -41.139679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.139679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.139679 (E_RNA) where: Base-Base interactions energy: -13.946 where: short stacking energy: -13.946 Base-Backbone interact. energy: -0.000 local terms energy: -27.193777 where: bonds (distance) C4'-P energy: -5.518 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -5.295 flat angles P-C4'-P energy: -4.723 tors. eta vs tors. theta energy: -5.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 223 Temperature: 0.950000 Total energy: -41.081380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.081380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.081380 (E_RNA) where: Base-Base interactions energy: -16.352 where: short stacking energy: -16.352 Base-Backbone interact. energy: -0.016 local terms energy: -24.713289 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -4.522 flat angles C4'-P-C4' energy: -5.506 flat angles P-C4'-P energy: -4.773 tors. eta vs tors. theta energy: -3.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 223 Temperature: 1.000000 Total energy: -40.381810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.381810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.381810 (E_RNA) where: Base-Base interactions energy: -15.462 where: short stacking energy: -15.462 Base-Backbone interact. energy: -0.000 local terms energy: -24.919385 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -6.125 flat angles C4'-P-C4' energy: -5.531 flat angles P-C4'-P energy: -3.206 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: 4, replica: 3 ===================================== Write number: 223 Temperature: 1.050000 Total energy: -38.882694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.882694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.882694 (E_RNA) where: Base-Base interactions energy: -12.810 where: short stacking energy: -12.810 Base-Backbone interact. energy: -0.000 local terms energy: -26.072233 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -6.389 flat angles C4'-P-C4' energy: -5.955 flat angles P-C4'-P energy: -3.820 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: 5, replica: 5 ===================================== Write number: 223 Temperature: 1.100000 Total energy: -33.432462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.432462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.432462 (E_RNA) where: Base-Base interactions energy: -12.816 where: short stacking energy: -12.816 Base-Backbone interact. energy: -0.033 local terms energy: -20.584071 where: bonds (distance) C4'-P energy: -5.128 bonds (distance) P-C4' energy: -6.203 flat angles C4'-P-C4' energy: -6.273 flat angles P-C4'-P energy: -4.665 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: 6, replica: 6 ===================================== Write number: 223 Temperature: 1.150000 Total energy: -33.107288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.107288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.107288 (E_RNA) where: Base-Base interactions energy: -10.519 where: short stacking energy: -10.519 Base-Backbone interact. energy: 0.828 local terms energy: -23.416954 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -2.669 flat angles P-C4'-P energy: -2.637 tors. eta vs tors. theta energy: -5.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 223 Temperature: 1.200000 Total energy: -28.618037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.618037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.618037 (E_RNA) where: Base-Base interactions energy: -9.524 where: short stacking energy: -9.524 Base-Backbone interact. energy: -0.100 local terms energy: -18.994386 where: bonds (distance) C4'-P energy: -5.422 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -4.334 flat angles P-C4'-P energy: -2.388 tors. eta vs tors. theta energy: -0.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 223 Temperature: 1.250000 Total energy: -38.267909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.267909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.267909 (E_RNA) where: Base-Base interactions energy: -13.177 where: short stacking energy: -13.177 Base-Backbone interact. energy: -0.027 local terms energy: -25.064396 where: bonds (distance) C4'-P energy: -5.348 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -6.129 flat angles P-C4'-P energy: -4.423 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: 9, replica: 1 ===================================== Write number: 223 Temperature: 1.300000 Total energy: -35.053345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.053345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.053345 (E_RNA) where: Base-Base interactions energy: -13.379 where: short stacking energy: -13.379 Base-Backbone interact. energy: -0.000 local terms energy: -21.673973 where: bonds (distance) C4'-P energy: -4.122 bonds (distance) P-C4' energy: -6.460 flat angles C4'-P-C4' energy: -3.127 flat angles P-C4'-P energy: -3.059 tors. eta vs tors. theta energy: -4.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 223 Temperature: 1.350000 Total energy: -27.807445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.807445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.807445 (E_RNA) where: Base-Base interactions energy: -7.731 where: short stacking energy: -7.731 Base-Backbone interact. energy: -0.032 local terms energy: -20.044481 where: bonds (distance) C4'-P energy: -3.920 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -6.348 flat angles P-C4'-P energy: -3.921 tors. eta vs tors. theta energy: 0.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 224 Temperature: 0.900000 Total energy: -39.643005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.643005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.643005 (E_RNA) where: Base-Base interactions energy: -12.974 where: short stacking energy: -12.974 Base-Backbone interact. energy: -0.000 local terms energy: -26.668445 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.457 flat angles C4'-P-C4' energy: -5.026 flat angles P-C4'-P energy: -4.051 tors. eta vs tors. theta energy: -5.307 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: 8 ===================================== Write number: 224 Temperature: 0.950000 Total energy: -39.041663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.041663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.041663 (E_RNA) where: Base-Base interactions energy: -13.858 where: short stacking energy: -13.858 Base-Backbone interact. energy: -0.001 local terms energy: -25.182559 where: bonds (distance) C4'-P energy: -4.177 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -6.174 flat angles P-C4'-P energy: -3.847 tors. eta vs tors. theta energy: -3.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 224 Temperature: 1.000000 Total energy: -34.870934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.870934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.870934 (E_RNA) where: Base-Base interactions energy: -13.352 where: short stacking energy: -13.352 Base-Backbone interact. energy: -0.061 local terms energy: -21.458015 where: bonds (distance) C4'-P energy: -4.532 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -5.512 flat angles P-C4'-P energy: -1.009 tors. eta vs tors. theta energy: -3.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 224 Temperature: 1.050000 Total energy: -37.445718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.445718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.445718 (E_RNA) where: Base-Base interactions energy: -13.017 where: short stacking energy: -13.017 Base-Backbone interact. energy: -0.000 local terms energy: -24.428872 where: bonds (distance) C4'-P energy: -4.988 bonds (distance) P-C4' energy: -6.653 flat angles C4'-P-C4' energy: -6.346 flat angles P-C4'-P energy: -2.309 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: 5, replica: 6 ===================================== Write number: 224 Temperature: 1.100000 Total energy: -33.932061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.932061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.932061 (E_RNA) where: Base-Base interactions energy: -11.399 where: short stacking energy: -11.399 Base-Backbone interact. energy: -0.057 local terms energy: -22.476031 where: bonds (distance) C4'-P energy: -5.191 bonds (distance) P-C4' energy: -5.705 flat angles C4'-P-C4' energy: -6.166 flat angles P-C4'-P energy: -2.937 tors. eta vs tors. theta energy: -2.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 224 Temperature: 1.150000 Total energy: -31.781837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.781837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.781837 (E_RNA) where: Base-Base interactions energy: -8.654 where: short stacking energy: -8.654 Base-Backbone interact. energy: -0.020 local terms energy: -23.107310 where: bonds (distance) C4'-P energy: -5.091 bonds (distance) P-C4' energy: -6.438 flat angles C4'-P-C4' energy: -6.462 flat angles P-C4'-P energy: -3.572 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: 7, replica: 9 ===================================== Write number: 224 Temperature: 1.200000 Total energy: -33.521386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.521386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.521386 (E_RNA) where: Base-Base interactions energy: -11.946 where: short stacking energy: -11.946 Base-Backbone interact. energy: -0.026 local terms energy: -21.549966 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -7.147 flat angles C4'-P-C4' energy: -4.586 flat angles P-C4'-P energy: -2.179 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: 8, replica: 7 ===================================== Write number: 224 Temperature: 1.250000 Total energy: -35.250473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.250473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.250473 (E_RNA) where: Base-Base interactions energy: -11.924 where: short stacking energy: -11.924 Base-Backbone interact. energy: -0.000 local terms energy: -23.326567 where: bonds (distance) C4'-P energy: -5.393 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -6.523 flat angles P-C4'-P energy: -3.447 tors. eta vs tors. theta energy: -1.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 224 Temperature: 1.300000 Total energy: -29.257524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.257524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.257524 (E_RNA) where: Base-Base interactions energy: -9.521 where: short stacking energy: -9.521 Base-Backbone interact. energy: -0.000 local terms energy: -19.736662 where: bonds (distance) C4'-P energy: -5.427 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -4.192 flat angles P-C4'-P energy: -0.490 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: 1 ===================================== Write number: 224 Temperature: 1.350000 Total energy: -33.829628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.829628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.829628 (E_RNA) where: Base-Base interactions energy: -9.029 where: short stacking energy: -9.029 Base-Backbone interact. energy: -0.003 local terms energy: -24.797486 where: bonds (distance) C4'-P energy: -4.727 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -5.055 flat angles P-C4'-P energy: -4.132 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: 1, replica: 10 ===================================== Write number: 225 Temperature: 0.900000 Total energy: -36.487240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.487240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.487240 (E_RNA) where: Base-Base interactions energy: -13.373 where: short stacking energy: -13.373 Base-Backbone interact. energy: -0.114 local terms energy: -23.000264 where: bonds (distance) C4'-P energy: -5.286 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -5.322 flat angles P-C4'-P energy: -4.417 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: 2, replica: 3 ===================================== Write number: 225 Temperature: 0.950000 Total energy: -38.377736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.377736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.377736 (E_RNA) where: Base-Base interactions energy: -15.993 where: short stacking energy: -15.993 Base-Backbone interact. energy: -0.000 local terms energy: -22.384806 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -5.702 flat angles C4'-P-C4' energy: -4.568 flat angles P-C4'-P energy: -3.462 tors. eta vs tors. theta energy: -2.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 225 Temperature: 1.000000 Total energy: -36.569179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.569179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.569179 (E_RNA) where: Base-Base interactions energy: -13.616 where: short stacking energy: -13.616 Base-Backbone interact. energy: -0.007 local terms energy: -22.946227 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -5.207 flat angles P-C4'-P energy: -4.418 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: 6 ===================================== Write number: 225 Temperature: 1.050000 Total energy: -39.639629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.639629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.639629 (E_RNA) where: Base-Base interactions energy: -15.424 where: short stacking energy: -15.424 Base-Backbone interact. energy: -0.000 local terms energy: -24.215325 where: bonds (distance) C4'-P energy: -5.145 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -4.799 flat angles P-C4'-P energy: -4.786 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: 5, replica: 4 ===================================== Write number: 225 Temperature: 1.100000 Total energy: -38.310543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.310543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.310543 (E_RNA) where: Base-Base interactions energy: -16.195 where: short stacking energy: -16.195 Base-Backbone interact. energy: -0.001 local terms energy: -22.114564 where: bonds (distance) C4'-P energy: -3.932 bonds (distance) P-C4' energy: -6.177 flat angles C4'-P-C4' energy: -5.896 flat angles P-C4'-P energy: -3.412 tors. eta vs tors. theta energy: -2.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 225 Temperature: 1.150000 Total energy: -33.011104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.011104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.011104 (E_RNA) where: Base-Base interactions energy: -15.384 where: short stacking energy: -15.384 Base-Backbone interact. energy: -0.000 local terms energy: -17.626932 where: bonds (distance) C4'-P energy: -4.639 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -2.948 flat angles P-C4'-P energy: -2.436 tors. eta vs tors. theta energy: -1.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 225 Temperature: 1.200000 Total energy: -32.560676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.560676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.560676 (E_RNA) where: Base-Base interactions energy: -11.473 where: short stacking energy: -6.872 Base-Backbone interact. energy: -0.028 local terms energy: -21.060229 where: bonds (distance) C4'-P energy: -5.137 bonds (distance) P-C4' energy: -6.417 flat angles C4'-P-C4' energy: -5.343 flat angles P-C4'-P energy: -1.560 tors. eta vs tors. theta energy: -2.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 225 Temperature: 1.250000 Total energy: -30.704233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.704233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.704233 (E_RNA) where: Base-Base interactions energy: -8.695 where: short stacking energy: -8.695 Base-Backbone interact. energy: -0.085 local terms energy: -21.924265 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -4.177 flat angles C4'-P-C4' energy: -6.449 flat angles P-C4'-P energy: -4.677 tors. eta vs tors. theta energy: -0.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 225 Temperature: 1.300000 Total energy: -31.725361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.725361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.725361 (E_RNA) where: Base-Base interactions energy: -9.055 where: short stacking energy: -9.189 Base-Backbone interact. energy: -0.000 local terms energy: -22.670465 where: bonds (distance) C4'-P energy: -5.368 bonds (distance) P-C4' energy: -5.699 flat angles C4'-P-C4' energy: -5.601 flat angles P-C4'-P energy: -4.140 tors. eta vs tors. theta energy: -1.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 225 Temperature: 1.350000 Total energy: -32.523875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.523875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.523875 (E_RNA) where: Base-Base interactions energy: -9.135 where: short stacking energy: -9.135 Base-Backbone interact. energy: -0.104 local terms energy: -23.284192 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -6.222 flat angles P-C4'-P energy: -3.563 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: 1, replica: 10 ===================================== Write number: 226 Temperature: 0.900000 Total energy: -39.366492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.366492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.366492 (E_RNA) where: Base-Base interactions energy: -14.986 where: short stacking energy: -14.986 Base-Backbone interact. energy: -0.219 local terms energy: -24.161646 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -5.631 flat angles C4'-P-C4' energy: -6.133 flat angles P-C4'-P energy: -4.303 tors. eta vs tors. theta energy: -2.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 226 Temperature: 0.950000 Total energy: -41.257193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.257193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.257193 (E_RNA) where: Base-Base interactions energy: -15.259 where: short stacking energy: -15.259 Base-Backbone interact. energy: -0.000 local terms energy: -25.997956 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -4.855 flat angles P-C4'-P energy: -3.823 tors. eta vs tors. theta energy: -5.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 226 Temperature: 1.000000 Total energy: -34.780983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.780983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.780983 (E_RNA) where: Base-Base interactions energy: -11.957 where: short stacking energy: -11.957 Base-Backbone interact. energy: -0.099 local terms energy: -22.724790 where: bonds (distance) C4'-P energy: -5.278 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -4.677 flat angles P-C4'-P energy: -3.429 tors. eta vs tors. theta energy: -2.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 226 Temperature: 1.050000 Total energy: -33.317068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.317068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.317068 (E_RNA) where: Base-Base interactions energy: -13.533 where: short stacking energy: -13.533 Base-Backbone interact. energy: -0.003 local terms energy: -19.781216 where: bonds (distance) C4'-P energy: -6.453 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -0.933 flat angles P-C4'-P energy: -1.778 tors. eta vs tors. theta energy: -3.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 226 Temperature: 1.100000 Total energy: -39.713656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.713656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.713656 (E_RNA) where: Base-Base interactions energy: -13.757 where: short stacking energy: -13.757 Base-Backbone interact. energy: -0.001 local terms energy: -25.955647 where: bonds (distance) C4'-P energy: -5.368 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -6.033 flat angles P-C4'-P energy: -3.832 tors. eta vs tors. theta energy: -4.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 226 Temperature: 1.150000 Total energy: -29.837845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.837845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.837845 (E_RNA) where: Base-Base interactions energy: -11.123 where: short stacking energy: -11.123 Base-Backbone interact. energy: -0.030 local terms energy: -18.684462 where: bonds (distance) C4'-P energy: -3.928 bonds (distance) P-C4' energy: -6.438 flat angles C4'-P-C4' energy: -4.040 flat angles P-C4'-P energy: -2.342 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: 7, replica: 5 ===================================== Write number: 226 Temperature: 1.200000 Total energy: -31.138333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.138333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.138333 (E_RNA) where: Base-Base interactions energy: -9.098 where: short stacking energy: -9.098 Base-Backbone interact. energy: -0.180 local terms energy: -21.859580 where: bonds (distance) C4'-P energy: -3.990 bonds (distance) P-C4' energy: -5.671 flat angles C4'-P-C4' energy: -5.060 flat angles P-C4'-P energy: -5.127 tors. eta vs tors. theta energy: -2.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 226 Temperature: 1.250000 Total energy: -35.169368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.169368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.169368 (E_RNA) where: Base-Base interactions energy: -11.943 where: short stacking energy: -11.943 Base-Backbone interact. energy: -0.001 local terms energy: -23.225948 where: bonds (distance) C4'-P energy: -6.006 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -3.597 flat angles P-C4'-P energy: -3.870 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: 9, replica: 1 ===================================== Write number: 226 Temperature: 1.300000 Total energy: -29.046403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.046403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.046403 (E_RNA) where: Base-Base interactions energy: -8.921 where: short stacking energy: -8.921 Base-Backbone interact. energy: -0.002 local terms energy: -20.123911 where: bonds (distance) C4'-P energy: -6.060 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -4.302 flat angles P-C4'-P energy: -2.534 tors. eta vs tors. theta energy: -1.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 226 Temperature: 1.350000 Total energy: -36.112406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.112406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.112406 (E_RNA) where: Base-Base interactions energy: -15.095 where: short stacking energy: -15.095 Base-Backbone interact. energy: -0.000 local terms energy: -21.017264 where: bonds (distance) C4'-P energy: -3.634 bonds (distance) P-C4' energy: -4.159 flat angles C4'-P-C4' energy: -5.326 flat angles P-C4'-P energy: -5.046 tors. eta vs tors. theta energy: -2.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 227 Temperature: 0.900000 Total energy: -38.878781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.878781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.878781 (E_RNA) where: Base-Base interactions energy: -13.663 where: short stacking energy: -13.663 Base-Backbone interact. energy: -0.359 local terms energy: -24.857723 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -6.321 flat angles P-C4'-P energy: -4.645 tors. eta vs tors. theta energy: -1.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 227 Temperature: 0.950000 Total energy: -39.321028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.321028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.321028 (E_RNA) where: Base-Base interactions energy: -14.441 where: short stacking energy: -14.441 Base-Backbone interact. energy: -0.015 local terms energy: -24.865528 where: bonds (distance) C4'-P energy: -4.872 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -5.496 flat angles P-C4'-P energy: -4.165 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: 3, replica: 3 ===================================== Write number: 227 Temperature: 1.000000 Total energy: -38.489265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.489265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.489265 (E_RNA) where: Base-Base interactions energy: -12.390 where: short stacking energy: -12.390 Base-Backbone interact. energy: -0.160 local terms energy: -25.939971 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -5.346 flat angles C4'-P-C4' energy: -5.669 flat angles P-C4'-P energy: -5.095 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: 4, replica: 9 ===================================== Write number: 227 Temperature: 1.050000 Total energy: -36.567940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.567940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.567940 (E_RNA) where: Base-Base interactions energy: -12.044 where: short stacking energy: -12.044 Base-Backbone interact. energy: -0.000 local terms energy: -24.523815 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -3.448 flat angles P-C4'-P energy: -4.032 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: 5, replica: 8 ===================================== Write number: 227 Temperature: 1.100000 Total energy: -35.166628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.166628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.166628 (E_RNA) where: Base-Base interactions energy: -11.609 where: short stacking energy: -11.609 Base-Backbone interact. energy: -0.000 local terms energy: -23.557758 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -5.255 flat angles P-C4'-P energy: -4.074 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: 6, replica: 5 ===================================== Write number: 227 Temperature: 1.150000 Total energy: -29.687766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.687766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.687766 (E_RNA) where: Base-Base interactions energy: -10.657 where: short stacking energy: -10.657 Base-Backbone interact. energy: -0.135 local terms energy: -18.895240 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -4.317 flat angles P-C4'-P energy: -1.836 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: 7, replica: 4 ===================================== Write number: 227 Temperature: 1.200000 Total energy: -30.511509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.511509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.511509 (E_RNA) where: Base-Base interactions energy: -10.329 where: short stacking energy: -10.329 Base-Backbone interact. energy: -0.056 local terms energy: -20.126379 where: bonds (distance) C4'-P energy: -4.326 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -4.780 flat angles P-C4'-P energy: -3.018 tors. eta vs tors. theta energy: -1.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 227 Temperature: 1.250000 Total energy: -34.277099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.277099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.277099 (E_RNA) where: Base-Base interactions energy: -10.103 where: short stacking energy: -10.103 Base-Backbone interact. energy: -0.000 local terms energy: -24.173590 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -5.076 flat angles C4'-P-C4' energy: -4.445 flat angles P-C4'-P energy: -3.578 tors. eta vs tors. theta energy: -5.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 227 Temperature: 1.300000 Total energy: -29.173889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.173889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.173889 (E_RNA) where: Base-Base interactions energy: -11.402 where: short stacking energy: -11.402 Base-Backbone interact. energy: -0.001 local terms energy: -17.770799 where: bonds (distance) C4'-P energy: -4.471 bonds (distance) P-C4' energy: -4.988 flat angles C4'-P-C4' energy: -4.013 flat angles P-C4'-P energy: -3.311 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: 10, replica: 7 ===================================== Write number: 227 Temperature: 1.350000 Total energy: -30.542370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.542370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.542370 (E_RNA) where: Base-Base interactions energy: -8.253 where: short stacking energy: -8.253 Base-Backbone interact. energy: -0.000 local terms energy: -22.289646 where: bonds (distance) C4'-P energy: -4.260 bonds (distance) P-C4' energy: -5.497 flat angles C4'-P-C4' energy: -4.578 flat angles P-C4'-P energy: -5.003 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: 1, replica: 6 ===================================== Write number: 228 Temperature: 0.900000 Total energy: -40.104955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.104955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.104955 (E_RNA) where: Base-Base interactions energy: -14.383 where: short stacking energy: -14.383 Base-Backbone interact. energy: -0.055 local terms energy: -25.666870 where: bonds (distance) C4'-P energy: -6.160 bonds (distance) P-C4' energy: -6.124 flat angles C4'-P-C4' energy: -6.400 flat angles P-C4'-P energy: -3.697 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: 2, replica: 10 ===================================== Write number: 228 Temperature: 0.950000 Total energy: -40.071883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.071883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.071883 (E_RNA) where: Base-Base interactions energy: -14.336 where: short stacking energy: -14.336 Base-Backbone interact. energy: -0.001 local terms energy: -25.734388 where: bonds (distance) C4'-P energy: -5.241 bonds (distance) P-C4' energy: -6.128 flat angles C4'-P-C4' energy: -5.807 flat angles P-C4'-P energy: -4.678 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: 3, replica: 3 ===================================== Write number: 228 Temperature: 1.000000 Total energy: -39.383256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.383256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.383256 (E_RNA) where: Base-Base interactions energy: -14.155 where: short stacking energy: -14.155 Base-Backbone interact. energy: -0.000 local terms energy: -25.228420 where: bonds (distance) C4'-P energy: -4.797 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -5.550 flat angles P-C4'-P energy: -2.876 tors. eta vs tors. theta energy: -5.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 228 Temperature: 1.050000 Total energy: -35.428901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.428901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.428901 (E_RNA) where: Base-Base interactions energy: -11.736 where: short stacking energy: -11.736 Base-Backbone interact. energy: -0.010 local terms energy: -23.682357 where: bonds (distance) C4'-P energy: -5.518 bonds (distance) P-C4' energy: -5.604 flat angles C4'-P-C4' energy: -3.103 flat angles P-C4'-P energy: -4.759 tors. eta vs tors. theta energy: -4.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 228 Temperature: 1.100000 Total energy: -30.545667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.545667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.545667 (E_RNA) where: Base-Base interactions energy: -7.232 where: short stacking energy: -7.232 Base-Backbone interact. energy: -0.040 local terms energy: -23.273324 where: bonds (distance) C4'-P energy: -6.246 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -5.843 flat angles P-C4'-P energy: -3.078 tors. eta vs tors. theta energy: -1.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 228 Temperature: 1.150000 Total energy: -32.512085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.512085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.512085 (E_RNA) where: Base-Base interactions energy: -10.265 where: short stacking energy: -10.265 Base-Backbone interact. energy: -0.013 local terms energy: -22.234085 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -4.293 flat angles C4'-P-C4' energy: -6.080 flat angles P-C4'-P energy: -4.901 tors. eta vs tors. theta energy: -1.132 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: 1 ===================================== Write number: 228 Temperature: 1.200000 Total energy: -36.425037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.425037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.425037 (E_RNA) where: Base-Base interactions energy: -12.423 where: short stacking energy: -12.423 Base-Backbone interact. energy: -0.020 local terms energy: -23.981804 where: bonds (distance) C4'-P energy: -5.982 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -4.936 flat angles P-C4'-P energy: -3.744 tors. eta vs tors. theta energy: -2.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 228 Temperature: 1.250000 Total energy: -35.853109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.853109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.853109 (E_RNA) where: Base-Base interactions energy: -11.772 where: short stacking energy: -11.772 Base-Backbone interact. energy: -0.029 local terms energy: -24.051935 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -4.139 flat angles P-C4'-P energy: -4.594 tors. eta vs tors. theta energy: -2.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 228 Temperature: 1.300000 Total energy: -30.538744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.538744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.538744 (E_RNA) where: Base-Base interactions energy: -8.200 where: short stacking energy: -8.200 Base-Backbone interact. energy: -0.124 local terms energy: -22.214018 where: bonds (distance) C4'-P energy: -5.269 bonds (distance) P-C4' energy: -5.674 flat angles C4'-P-C4' energy: -6.467 flat angles P-C4'-P energy: -1.976 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: 10, replica: 2 ===================================== Write number: 228 Temperature: 1.350000 Total energy: -30.186569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.186569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.186569 (E_RNA) where: Base-Base interactions energy: -10.155 where: short stacking energy: -10.155 Base-Backbone interact. energy: -0.010 local terms energy: -20.021379 where: bonds (distance) C4'-P energy: -4.044 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -5.885 flat angles P-C4'-P energy: -2.828 tors. eta vs tors. theta energy: -1.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 229 Temperature: 0.900000 Total energy: -38.967342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.967342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.967342 (E_RNA) where: Base-Base interactions energy: -15.260 where: short stacking energy: -11.905 Base-Backbone interact. energy: -0.061 local terms energy: -23.646448 where: bonds (distance) C4'-P energy: -6.453 bonds (distance) P-C4' energy: -6.622 flat angles C4'-P-C4' energy: -4.583 flat angles P-C4'-P energy: -4.531 tors. eta vs tors. theta energy: -1.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 229 Temperature: 0.950000 Total energy: -34.422954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.422954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.422954 (E_RNA) where: Base-Base interactions energy: -13.785 where: short stacking energy: -13.785 Base-Backbone interact. energy: -0.000 local terms energy: -20.637838 where: bonds (distance) C4'-P energy: -5.055 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -4.943 flat angles P-C4'-P energy: -3.193 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: 3, replica: 10 ===================================== Write number: 229 Temperature: 1.000000 Total energy: -40.263012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.263012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.263012 (E_RNA) where: Base-Base interactions energy: -16.630 where: short stacking energy: -16.630 Base-Backbone interact. energy: -0.000 local terms energy: -23.632972 where: bonds (distance) C4'-P energy: -4.615 bonds (distance) P-C4' energy: -5.576 flat angles C4'-P-C4' energy: -5.280 flat angles P-C4'-P energy: -4.371 tors. eta vs tors. theta energy: -3.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 229 Temperature: 1.050000 Total energy: -35.250179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.250179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.250179 (E_RNA) where: Base-Base interactions energy: -13.837 where: short stacking energy: -13.837 Base-Backbone interact. energy: -0.344 local terms energy: -21.069835 where: bonds (distance) C4'-P energy: -5.667 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -5.813 flat angles P-C4'-P energy: -2.548 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: 5, replica: 9 ===================================== Write number: 229 Temperature: 1.100000 Total energy: -40.667850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.667850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.667850 (E_RNA) where: Base-Base interactions energy: -15.845 where: short stacking energy: -15.845 Base-Backbone interact. energy: -0.000 local terms energy: -24.822997 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -4.127 flat angles P-C4'-P energy: -4.140 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: 6, replica: 1 ===================================== Write number: 229 Temperature: 1.150000 Total energy: -36.137765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.137765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.137765 (E_RNA) where: Base-Base interactions energy: -10.458 where: short stacking energy: -10.458 Base-Backbone interact. energy: -0.000 local terms energy: -25.679794 where: bonds (distance) C4'-P energy: -4.980 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -6.213 flat angles P-C4'-P energy: -2.667 tors. eta vs tors. theta energy: -5.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 229 Temperature: 1.200000 Total energy: -37.789403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.789403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.789403 (E_RNA) where: Base-Base interactions energy: -13.507 where: short stacking energy: -13.507 Base-Backbone interact. energy: -0.003 local terms energy: -24.279251 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -6.457 flat angles C4'-P-C4' energy: -4.603 flat angles P-C4'-P energy: -2.543 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: 8, replica: 7 ===================================== Write number: 229 Temperature: 1.250000 Total energy: -31.859466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.859466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.859466 (E_RNA) where: Base-Base interactions energy: -9.205 where: short stacking energy: -9.205 Base-Backbone interact. energy: -0.069 local terms energy: -22.584780 where: bonds (distance) C4'-P energy: -5.055 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -5.026 flat angles P-C4'-P energy: -4.487 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: 9, replica: 4 ===================================== Write number: 229 Temperature: 1.300000 Total energy: -35.781616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.781616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.781616 (E_RNA) where: Base-Base interactions energy: -9.838 where: short stacking energy: -9.838 Base-Backbone interact. energy: -0.000 local terms energy: -25.943558 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -5.276 flat angles C4'-P-C4' energy: -6.316 flat angles P-C4'-P energy: -4.191 tors. eta vs tors. theta energy: -3.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 229 Temperature: 1.350000 Total energy: -29.452435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.452435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.452435 (E_RNA) where: Base-Base interactions energy: -10.542 where: short stacking energy: -10.542 Base-Backbone interact. energy: -0.000 local terms energy: -18.910653 where: bonds (distance) C4'-P energy: -3.365 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -4.464 flat angles P-C4'-P energy: -1.735 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: 1, replica: 3 ===================================== Write number: 230 Temperature: 0.900000 Total energy: -39.960827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.960827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.960827 (E_RNA) where: Base-Base interactions energy: -14.546 where: short stacking energy: -14.546 Base-Backbone interact. energy: -0.000 local terms energy: -25.415029 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -5.251 flat angles C4'-P-C4' energy: -5.637 flat angles P-C4'-P energy: -4.531 tors. eta vs tors. theta energy: -4.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 230 Temperature: 0.950000 Total energy: -33.963480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.963480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.963480 (E_RNA) where: Base-Base interactions energy: -9.946 where: short stacking energy: -8.483 Base-Backbone interact. energy: 0.596 local terms energy: -24.614017 where: bonds (distance) C4'-P energy: -5.269 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -6.306 flat angles P-C4'-P energy: -4.706 tors. eta vs tors. theta energy: -1.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 230 Temperature: 1.000000 Total energy: -39.104351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.104351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.104351 (E_RNA) where: Base-Base interactions energy: -13.542 where: short stacking energy: -13.542 Base-Backbone interact. energy: -0.001 local terms energy: -25.561776 where: bonds (distance) C4'-P energy: -5.456 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -5.302 flat angles P-C4'-P energy: -5.271 tors. eta vs tors. theta energy: -3.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 230 Temperature: 1.050000 Total energy: -37.486044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.486044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.486044 (E_RNA) where: Base-Base interactions energy: -13.935 where: short stacking energy: -13.935 Base-Backbone interact. energy: -0.087 local terms energy: -23.464166 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -6.464 flat angles C4'-P-C4' energy: -3.459 flat angles P-C4'-P energy: -3.609 tors. eta vs tors. theta energy: -4.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 230 Temperature: 1.100000 Total energy: -40.263624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.263624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.263624 (E_RNA) where: Base-Base interactions energy: -15.191 where: short stacking energy: -15.191 Base-Backbone interact. energy: 0.021 local terms energy: -25.093756 where: bonds (distance) C4'-P energy: -6.470 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.519 flat angles P-C4'-P energy: -1.367 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: 6, replica: 9 ===================================== Write number: 230 Temperature: 1.150000 Total energy: -34.053998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.053998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.053998 (E_RNA) where: Base-Base interactions energy: -10.978 where: short stacking energy: -10.978 Base-Backbone interact. energy: -0.086 local terms energy: -22.990714 where: bonds (distance) C4'-P energy: -5.600 bonds (distance) P-C4' energy: -4.914 flat angles C4'-P-C4' energy: -5.791 flat angles P-C4'-P energy: -3.935 tors. eta vs tors. theta energy: -2.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 230 Temperature: 1.200000 Total energy: -32.910048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.910048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.910048 (E_RNA) where: Base-Base interactions energy: -9.151 where: short stacking energy: -9.151 Base-Backbone interact. energy: -0.011 local terms energy: -23.748213 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -5.360 flat angles P-C4'-P energy: -3.525 tors. eta vs tors. theta energy: -2.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 230 Temperature: 1.250000 Total energy: -35.889943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.889943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.889943 (E_RNA) where: Base-Base interactions energy: -13.328 where: short stacking energy: -13.328 Base-Backbone interact. energy: -0.002 local terms energy: -22.560538 where: bonds (distance) C4'-P energy: -3.539 bonds (distance) P-C4' energy: -4.879 flat angles C4'-P-C4' energy: -6.535 flat angles P-C4'-P energy: -4.502 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: 2 ===================================== Write number: 230 Temperature: 1.300000 Total energy: -29.694708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.694708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.694708 (E_RNA) where: Base-Base interactions energy: -8.721 where: short stacking energy: -8.721 Base-Backbone interact. energy: -0.047 local terms energy: -20.925938 where: bonds (distance) C4'-P energy: -6.044 bonds (distance) P-C4' energy: -5.868 flat angles C4'-P-C4' energy: -5.624 flat angles P-C4'-P energy: -3.862 tors. eta vs tors. theta energy: 0.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 230 Temperature: 1.350000 Total energy: -29.992161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.992161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.992161 (E_RNA) where: Base-Base interactions energy: -8.558 where: short stacking energy: -8.558 Base-Backbone interact. energy: -0.001 local terms energy: -21.433507 where: bonds (distance) C4'-P energy: -3.378 bonds (distance) P-C4' energy: -5.512 flat angles C4'-P-C4' energy: -6.714 flat angles P-C4'-P energy: -3.362 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: 1, replica: 3 ===================================== Write number: 231 Temperature: 0.900000 Total energy: -38.745886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.745886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.745886 (E_RNA) where: Base-Base interactions energy: -14.073 where: short stacking energy: -14.073 Base-Backbone interact. energy: -0.008 local terms energy: -24.664918 where: bonds (distance) C4'-P energy: -5.998 bonds (distance) P-C4' energy: -7.130 flat angles C4'-P-C4' energy: -6.072 flat angles P-C4'-P energy: -3.202 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: 2, replica: 6 ===================================== Write number: 231 Temperature: 0.950000 Total energy: -40.013498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.013498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.013498 (E_RNA) where: Base-Base interactions energy: -13.668 where: short stacking energy: -13.668 Base-Backbone interact. energy: -0.038 local terms energy: -26.307972 where: bonds (distance) C4'-P energy: -5.368 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -6.339 flat angles P-C4'-P energy: -4.512 tors. eta vs tors. theta energy: -3.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 231 Temperature: 1.000000 Total energy: -38.510778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.510778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.510778 (E_RNA) where: Base-Base interactions energy: -13.125 where: short stacking energy: -13.125 Base-Backbone interact. energy: -0.002 local terms energy: -25.383511 where: bonds (distance) C4'-P energy: -3.526 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -6.024 flat angles P-C4'-P energy: -4.841 tors. eta vs tors. theta energy: -4.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 231 Temperature: 1.050000 Total energy: -33.002353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.002353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.002353 (E_RNA) where: Base-Base interactions energy: -8.717 where: short stacking energy: -6.312 Base-Backbone interact. energy: -0.655 local terms energy: -23.630493 where: bonds (distance) C4'-P energy: -5.402 bonds (distance) P-C4' energy: -5.767 flat angles C4'-P-C4' energy: -4.995 flat angles P-C4'-P energy: -4.437 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: 10 ===================================== Write number: 231 Temperature: 1.100000 Total energy: -26.939427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.939427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.939427 (E_RNA) where: Base-Base interactions energy: -6.160 where: short stacking energy: -2.666 Base-Backbone interact. energy: -0.203 local terms energy: -20.576166 where: bonds (distance) C4'-P energy: -5.510 bonds (distance) P-C4' energy: -6.118 flat angles C4'-P-C4' energy: -4.958 flat angles P-C4'-P energy: -4.311 tors. eta vs tors. theta energy: 0.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 231 Temperature: 1.150000 Total energy: -35.649724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.649724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.649724 (E_RNA) where: Base-Base interactions energy: -12.847 where: short stacking energy: -12.847 Base-Backbone interact. energy: -0.000 local terms energy: -22.802910 where: bonds (distance) C4'-P energy: -5.286 bonds (distance) P-C4' energy: -5.563 flat angles C4'-P-C4' energy: -5.820 flat angles P-C4'-P energy: -4.091 tors. eta vs tors. theta energy: -2.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 231 Temperature: 1.200000 Total energy: -32.431518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.431518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.431518 (E_RNA) where: Base-Base interactions energy: -11.013 where: short stacking energy: -11.013 Base-Backbone interact. energy: -0.021 local terms energy: -21.397377 where: bonds (distance) C4'-P energy: -4.781 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.159 flat angles P-C4'-P energy: -4.268 tors. eta vs tors. theta energy: -0.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 231 Temperature: 1.250000 Total energy: -33.043204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.043204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.043204 (E_RNA) where: Base-Base interactions energy: -9.670 where: short stacking energy: -9.693 Base-Backbone interact. energy: -0.000 local terms energy: -23.372644 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -5.530 flat angles C4'-P-C4' energy: -5.340 flat angles P-C4'-P energy: -4.092 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: 9, replica: 7 ===================================== Write number: 231 Temperature: 1.300000 Total energy: -37.271184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.271184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.271184 (E_RNA) where: Base-Base interactions energy: -11.961 where: short stacking energy: -11.961 Base-Backbone interact. energy: -0.003 local terms energy: -25.306793 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -5.657 flat angles P-C4'-P energy: -4.076 tors. eta vs tors. theta energy: -2.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 231 Temperature: 1.350000 Total energy: -30.187624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.187624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.187624 (E_RNA) where: Base-Base interactions energy: -11.285 where: short stacking energy: -11.285 Base-Backbone interact. energy: -0.000 local terms energy: -18.902871 where: bonds (distance) C4'-P energy: -4.247 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.267 flat angles P-C4'-P energy: 0.059 tors. eta vs tors. theta energy: -2.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 232 Temperature: 0.900000 Total energy: -37.588901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.588901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.588901 (E_RNA) where: Base-Base interactions energy: -15.471 where: short stacking energy: -15.471 Base-Backbone interact. energy: -0.000 local terms energy: -22.117850 where: bonds (distance) C4'-P energy: -4.508 bonds (distance) P-C4' energy: -5.699 flat angles C4'-P-C4' energy: -5.075 flat angles P-C4'-P energy: -3.856 tors. eta vs tors. theta energy: -2.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 232 Temperature: 0.950000 Total energy: -44.892643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.892643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.892643 (E_RNA) where: Base-Base interactions energy: -18.144 where: short stacking energy: -18.144 Base-Backbone interact. energy: -0.000 local terms energy: -26.748235 where: bonds (distance) C4'-P energy: -5.659 bonds (distance) P-C4' energy: -5.522 flat angles C4'-P-C4' energy: -5.953 flat angles P-C4'-P energy: -3.987 tors. eta vs tors. theta energy: -5.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 232 Temperature: 1.000000 Total energy: -38.219800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.219800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.219800 (E_RNA) where: Base-Base interactions energy: -15.806 where: short stacking energy: -17.006 Base-Backbone interact. energy: -0.006 local terms energy: -22.407753 where: bonds (distance) C4'-P energy: -5.600 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -5.035 flat angles P-C4'-P energy: -3.359 tors. eta vs tors. theta energy: -3.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 232 Temperature: 1.050000 Total energy: -35.070594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.070594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.070594 (E_RNA) where: Base-Base interactions energy: -13.117 where: short stacking energy: -13.117 Base-Backbone interact. energy: -0.007 local terms energy: -21.946438 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -4.340 flat angles P-C4'-P energy: -3.197 tors. eta vs tors. theta energy: -2.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 232 Temperature: 1.100000 Total energy: -34.930221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.930221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.930221 (E_RNA) where: Base-Base interactions energy: -13.016 where: short stacking energy: -13.016 Base-Backbone interact. energy: -0.001 local terms energy: -21.913482 where: bonds (distance) C4'-P energy: -5.348 bonds (distance) P-C4' energy: -6.382 flat angles C4'-P-C4' energy: -5.604 flat angles P-C4'-P energy: -3.274 tors. eta vs tors. theta energy: -1.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 232 Temperature: 1.150000 Total energy: -33.527147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.527147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.527147 (E_RNA) where: Base-Base interactions energy: -13.716 where: short stacking energy: -13.716 Base-Backbone interact. energy: -0.093 local terms energy: -19.717532 where: bonds (distance) C4'-P energy: -5.373 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -5.310 flat angles P-C4'-P energy: -2.037 tors. eta vs tors. theta energy: -0.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 232 Temperature: 1.200000 Total energy: -32.501313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.501313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.501313 (E_RNA) where: Base-Base interactions energy: -10.911 where: short stacking energy: -10.911 Base-Backbone interact. energy: -0.001 local terms energy: -21.588890 where: bonds (distance) C4'-P energy: -5.427 bonds (distance) P-C4' energy: -5.494 flat angles C4'-P-C4' energy: -5.118 flat angles P-C4'-P energy: -5.049 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: 9 ===================================== Write number: 232 Temperature: 1.250000 Total energy: -35.034043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.034043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.034043 (E_RNA) where: Base-Base interactions energy: -12.440 where: short stacking energy: -12.440 Base-Backbone interact. energy: -0.006 local terms energy: -22.587585 where: bonds (distance) C4'-P energy: -5.117 bonds (distance) P-C4' energy: -5.083 flat angles C4'-P-C4' energy: -6.056 flat angles P-C4'-P energy: -3.397 tors. eta vs tors. theta energy: -2.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 232 Temperature: 1.300000 Total energy: -30.301282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.301282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.301282 (E_RNA) where: Base-Base interactions energy: -8.101 where: short stacking energy: -8.101 Base-Backbone interact. energy: -0.000 local terms energy: -22.199873 where: bonds (distance) C4'-P energy: -4.160 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -4.408 flat angles P-C4'-P energy: -3.195 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: 10, replica: 7 ===================================== Write number: 232 Temperature: 1.350000 Total energy: -30.465189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.465189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.465189 (E_RNA) where: Base-Base interactions energy: -8.603 where: short stacking energy: -8.603 Base-Backbone interact. energy: -0.044 local terms energy: -21.818104 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.129 flat angles C4'-P-C4' energy: -5.625 flat angles P-C4'-P energy: -3.064 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: 1, replica: 3 ===================================== Write number: 233 Temperature: 0.900000 Total energy: -36.785550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.785550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.785550 (E_RNA) where: Base-Base interactions energy: -11.394 where: short stacking energy: -11.394 Base-Backbone interact. energy: -0.014 local terms energy: -25.378353 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -5.040 flat angles C4'-P-C4' energy: -5.618 flat angles P-C4'-P energy: -4.554 tors. eta vs tors. theta energy: -4.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 233 Temperature: 0.950000 Total energy: -37.798756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.798756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.798756 (E_RNA) where: Base-Base interactions energy: -15.002 where: short stacking energy: -15.002 Base-Backbone interact. energy: -0.000 local terms energy: -22.796979 where: bonds (distance) C4'-P energy: -3.928 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -6.251 flat angles P-C4'-P energy: -2.741 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: 6 ===================================== Write number: 233 Temperature: 1.000000 Total energy: -38.946168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.946168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.946168 (E_RNA) where: Base-Base interactions energy: -17.336 where: short stacking energy: -17.336 Base-Backbone interact. energy: -0.002 local terms energy: -21.607537 where: bonds (distance) C4'-P energy: -4.939 bonds (distance) P-C4' energy: -5.569 flat angles C4'-P-C4' energy: -5.038 flat angles P-C4'-P energy: -2.687 tors. eta vs tors. theta energy: -3.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 233 Temperature: 1.050000 Total energy: -43.217447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.217447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.217447 (E_RNA) where: Base-Base interactions energy: -14.622 where: short stacking energy: -14.622 Base-Backbone interact. energy: -0.001 local terms energy: -28.593892 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -6.389 flat angles C4'-P-C4' energy: -6.083 flat angles P-C4'-P energy: -4.770 tors. eta vs tors. theta energy: -5.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 233 Temperature: 1.100000 Total energy: -37.288737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.288737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.288737 (E_RNA) where: Base-Base interactions energy: -12.082 where: short stacking energy: -12.082 Base-Backbone interact. energy: -0.036 local terms energy: -25.170710 where: bonds (distance) C4'-P energy: -6.354 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -5.877 flat angles P-C4'-P energy: -4.187 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: 2 ===================================== Write number: 233 Temperature: 1.150000 Total energy: -36.908751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.908751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.908751 (E_RNA) where: Base-Base interactions energy: -14.804 where: short stacking energy: -14.804 Base-Backbone interact. energy: -0.038 local terms energy: -22.066217 where: bonds (distance) C4'-P energy: -4.868 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -6.065 flat angles P-C4'-P energy: -2.819 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: 7, replica: 10 ===================================== Write number: 233 Temperature: 1.200000 Total energy: -34.326582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.326582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.326582 (E_RNA) where: Base-Base interactions energy: -13.365 where: short stacking energy: -13.365 Base-Backbone interact. energy: -0.000 local terms energy: -20.961625 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -5.861 flat angles C4'-P-C4' energy: -4.254 flat angles P-C4'-P energy: -3.059 tors. eta vs tors. theta energy: -2.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 233 Temperature: 1.250000 Total energy: -30.280243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.280243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.280243 (E_RNA) where: Base-Base interactions energy: -12.739 where: short stacking energy: -12.739 Base-Backbone interact. energy: -0.002 local terms energy: -17.538913 where: bonds (distance) C4'-P energy: -4.656 bonds (distance) P-C4' energy: -4.394 flat angles C4'-P-C4' energy: -4.861 flat angles P-C4'-P energy: -0.942 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: 9, replica: 9 ===================================== Write number: 233 Temperature: 1.300000 Total energy: -29.206126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.206126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.206126 (E_RNA) where: Base-Base interactions energy: -9.868 where: short stacking energy: -10.483 Base-Backbone interact. energy: -0.152 local terms energy: -19.186051 where: bonds (distance) C4'-P energy: -5.998 bonds (distance) P-C4' energy: -5.368 flat angles C4'-P-C4' energy: -4.034 flat angles P-C4'-P energy: -3.720 tors. eta vs tors. theta energy: -0.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 233 Temperature: 1.350000 Total energy: -29.573199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.573199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.573199 (E_RNA) where: Base-Base interactions energy: -9.192 where: short stacking energy: -9.192 Base-Backbone interact. energy: -0.027 local terms energy: -20.354084 where: bonds (distance) C4'-P energy: -3.912 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -4.433 flat angles P-C4'-P energy: -3.202 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: 1, replica: 1 ===================================== Write number: 234 Temperature: 0.900000 Total energy: -45.730187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.730187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.730187 (E_RNA) where: Base-Base interactions energy: -17.512 where: short stacking energy: -17.512 Base-Backbone interact. energy: -0.000 local terms energy: -28.218561 where: bonds (distance) C4'-P energy: -5.278 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -6.294 flat angles P-C4'-P energy: -4.408 tors. eta vs tors. theta energy: -6.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 234 Temperature: 0.950000 Total energy: -35.040383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.040383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.040383 (E_RNA) where: Base-Base interactions energy: -15.843 where: short stacking energy: -15.843 Base-Backbone interact. energy: -0.001 local terms energy: -19.196545 where: bonds (distance) C4'-P energy: -3.547 bonds (distance) P-C4' energy: -5.699 flat angles C4'-P-C4' energy: -4.827 flat angles P-C4'-P energy: -3.873 tors. eta vs tors. theta energy: -1.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 234 Temperature: 1.000000 Total energy: -37.311550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.311550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.311550 (E_RNA) where: Base-Base interactions energy: -12.471 where: short stacking energy: -12.471 Base-Backbone interact. energy: -0.000 local terms energy: -24.840096 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.153 flat angles C4'-P-C4' energy: -5.894 flat angles P-C4'-P energy: -2.436 tors. eta vs tors. theta energy: -4.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 234 Temperature: 1.050000 Total energy: -38.860035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.860035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.860035 (E_RNA) where: Base-Base interactions energy: -17.810 where: short stacking energy: -17.810 Base-Backbone interact. energy: -0.000 local terms energy: -21.049448 where: bonds (distance) C4'-P energy: -5.402 bonds (distance) P-C4' energy: -5.150 flat angles C4'-P-C4' energy: -5.787 flat angles P-C4'-P energy: -2.320 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: 5, replica: 2 ===================================== Write number: 234 Temperature: 1.100000 Total energy: -35.610849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.610849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.610849 (E_RNA) where: Base-Base interactions energy: -12.619 where: short stacking energy: -12.619 Base-Backbone interact. energy: -0.058 local terms energy: -22.934349 where: bonds (distance) C4'-P energy: -4.807 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -5.319 flat angles P-C4'-P energy: -2.316 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: 6, replica: 5 ===================================== Write number: 234 Temperature: 1.150000 Total energy: -35.861134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.861134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.861134 (E_RNA) where: Base-Base interactions energy: -12.288 where: short stacking energy: -12.288 Base-Backbone interact. energy: -0.040 local terms energy: -23.533303 where: bonds (distance) C4'-P energy: -4.177 bonds (distance) P-C4' energy: -6.227 flat angles C4'-P-C4' energy: -5.052 flat angles P-C4'-P energy: -5.346 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: 7, replica: 4 ===================================== Write number: 234 Temperature: 1.200000 Total energy: -33.410066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.410066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.410066 (E_RNA) where: Base-Base interactions energy: -10.440 where: short stacking energy: -10.440 Base-Backbone interact. energy: -0.010 local terms energy: -22.960002 where: bonds (distance) C4'-P energy: -4.631 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -6.045 flat angles P-C4'-P energy: -4.506 tors. eta vs tors. theta energy: -0.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 234 Temperature: 1.250000 Total energy: -29.635622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.635622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.635622 (E_RNA) where: Base-Base interactions energy: -7.621 where: short stacking energy: -7.621 Base-Backbone interact. energy: -0.060 local terms energy: -21.954779 where: bonds (distance) C4'-P energy: -5.518 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -4.133 flat angles P-C4'-P energy: -3.045 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: 9, replica: 7 ===================================== Write number: 234 Temperature: 1.300000 Total energy: -34.864973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.864973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.864973 (E_RNA) where: Base-Base interactions energy: -10.990 where: short stacking energy: -10.990 Base-Backbone interact. energy: -0.000 local terms energy: -23.874489 where: bonds (distance) C4'-P energy: -4.114 bonds (distance) P-C4' energy: -5.702 flat angles C4'-P-C4' energy: -5.548 flat angles P-C4'-P energy: -4.031 tors. eta vs tors. theta energy: -4.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 234 Temperature: 1.350000 Total energy: -28.026572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.026572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.026572 (E_RNA) where: Base-Base interactions energy: -6.916 where: short stacking energy: -6.916 Base-Backbone interact. energy: -0.007 local terms energy: -21.103235 where: bonds (distance) C4'-P energy: -5.750 bonds (distance) P-C4' energy: -5.628 flat angles C4'-P-C4' energy: -5.688 flat angles P-C4'-P energy: -2.713 tors. eta vs tors. theta energy: -1.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 235 Temperature: 0.900000 Total energy: -43.270449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.270449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.270449 (E_RNA) where: Base-Base interactions energy: -16.663 where: short stacking energy: -16.663 Base-Backbone interact. energy: -0.000 local terms energy: -26.607322 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -5.597 flat angles C4'-P-C4' energy: -5.358 flat angles P-C4'-P energy: -3.827 tors. eta vs tors. theta energy: -6.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 235 Temperature: 0.950000 Total energy: -39.251894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.251894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.251894 (E_RNA) where: Base-Base interactions energy: -13.665 where: short stacking energy: -13.665 Base-Backbone interact. energy: -0.000 local terms energy: -25.586468 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -5.441 flat angles C4'-P-C4' energy: -5.906 flat angles P-C4'-P energy: -4.511 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: 3, replica: 3 ===================================== Write number: 235 Temperature: 1.000000 Total energy: -40.240734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.240734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.240734 (E_RNA) where: Base-Base interactions energy: -16.865 where: short stacking energy: -16.865 Base-Backbone interact. energy: -0.068 local terms energy: -23.307820 where: bonds (distance) C4'-P energy: -5.055 bonds (distance) P-C4' energy: -5.916 flat angles C4'-P-C4' energy: -4.947 flat angles P-C4'-P energy: -3.385 tors. eta vs tors. theta energy: -4.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 235 Temperature: 1.050000 Total energy: -38.857010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.857010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.857010 (E_RNA) where: Base-Base interactions energy: -13.081 where: short stacking energy: -13.081 Base-Backbone interact. energy: -0.168 local terms energy: -25.607959 where: bonds (distance) C4'-P energy: -5.096 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -6.611 flat angles P-C4'-P energy: -3.603 tors. eta vs tors. theta energy: -3.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 235 Temperature: 1.100000 Total energy: -32.856859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.856859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.856859 (E_RNA) where: Base-Base interactions energy: -8.831 where: short stacking energy: -8.831 Base-Backbone interact. energy: -0.029 local terms energy: -23.997468 where: bonds (distance) C4'-P energy: -4.747 bonds (distance) P-C4' energy: -5.699 flat angles C4'-P-C4' energy: -6.331 flat angles P-C4'-P energy: -4.227 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: 6, replica: 4 ===================================== Write number: 235 Temperature: 1.150000 Total energy: -32.140291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.140291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.140291 (E_RNA) where: Base-Base interactions energy: -13.197 where: short stacking energy: -13.197 Base-Backbone interact. energy: -0.007 local terms energy: -18.936782 where: bonds (distance) C4'-P energy: -4.392 bonds (distance) P-C4' energy: -4.914 flat angles C4'-P-C4' energy: -5.270 flat angles P-C4'-P energy: -2.640 tors. eta vs tors. theta energy: -1.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 235 Temperature: 1.200000 Total energy: -34.579568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.579568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.579568 (E_RNA) where: Base-Base interactions energy: -11.386 where: short stacking energy: -11.386 Base-Backbone interact. energy: -0.078 local terms energy: -23.115978 where: bonds (distance) C4'-P energy: -5.688 bonds (distance) P-C4' energy: -6.097 flat angles C4'-P-C4' energy: -5.692 flat angles P-C4'-P energy: -3.534 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: 8, replica: 7 ===================================== Write number: 235 Temperature: 1.250000 Total energy: -32.307722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.307722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.307722 (E_RNA) where: Base-Base interactions energy: -11.205 where: short stacking energy: -11.205 Base-Backbone interact. energy: -0.001 local terms energy: -21.101836 where: bonds (distance) C4'-P energy: -5.402 bonds (distance) P-C4' energy: -6.457 flat angles C4'-P-C4' energy: -3.681 flat angles P-C4'-P energy: -4.046 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: 10 ===================================== Write number: 235 Temperature: 1.300000 Total energy: -28.625821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.625821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.625821 (E_RNA) where: Base-Base interactions energy: -9.959 where: short stacking energy: -9.959 Base-Backbone interact. energy: -0.002 local terms energy: -18.664870 where: bonds (distance) C4'-P energy: -4.056 bonds (distance) P-C4' energy: -5.211 flat angles C4'-P-C4' energy: -4.780 flat angles P-C4'-P energy: -2.406 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: 10, replica: 9 ===================================== Write number: 235 Temperature: 1.350000 Total energy: -27.775865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.775865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.775865 (E_RNA) where: Base-Base interactions energy: -11.476 where: short stacking energy: -11.476 Base-Backbone interact. energy: -0.097 local terms energy: -16.202879 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -3.634 flat angles P-C4'-P energy: 1.223 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: 1, replica: 8 ===================================== Write number: 236 Temperature: 0.900000 Total energy: -37.590448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.590448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.590448 (E_RNA) where: Base-Base interactions energy: -14.138 where: short stacking energy: -14.138 Base-Backbone interact. energy: -0.040 local terms energy: -23.413187 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -5.557 flat angles P-C4'-P energy: -4.722 tors. eta vs tors. theta energy: -0.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 236 Temperature: 0.950000 Total energy: -36.678622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.678622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.678622 (E_RNA) where: Base-Base interactions energy: -16.233 where: short stacking energy: -16.233 Base-Backbone interact. energy: -0.001 local terms energy: -20.444690 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -0.437 flat angles C4'-P-C4' energy: -6.660 flat angles P-C4'-P energy: -2.718 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: 3, replica: 2 ===================================== Write number: 236 Temperature: 1.000000 Total energy: -35.646392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.646392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.646392 (E_RNA) where: Base-Base interactions energy: -13.384 where: short stacking energy: -13.384 Base-Backbone interact. energy: 0.249 local terms energy: -22.511429 where: bonds (distance) C4'-P energy: -5.766 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -5.875 flat angles P-C4'-P energy: -3.000 tors. eta vs tors. theta energy: -1.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 236 Temperature: 1.050000 Total energy: -37.588513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.588513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.588513 (E_RNA) where: Base-Base interactions energy: -16.190 where: short stacking energy: -16.190 Base-Backbone interact. energy: -0.000 local terms energy: -21.398600 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -5.597 flat angles C4'-P-C4' energy: -3.832 flat angles P-C4'-P energy: -2.936 tors. eta vs tors. theta energy: -3.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 236 Temperature: 1.100000 Total energy: -34.242481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.242481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.242481 (E_RNA) where: Base-Base interactions energy: -13.298 where: short stacking energy: -13.298 Base-Backbone interact. energy: -0.072 local terms energy: -20.872322 where: bonds (distance) C4'-P energy: -5.393 bonds (distance) P-C4' energy: -3.545 flat angles C4'-P-C4' energy: -4.704 flat angles P-C4'-P energy: -3.077 tors. eta vs tors. theta energy: -4.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 236 Temperature: 1.150000 Total energy: -37.338923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.338923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.338923 (E_RNA) where: Base-Base interactions energy: -14.389 where: short stacking energy: -14.389 Base-Backbone interact. energy: -0.013 local terms energy: -22.936516 where: bonds (distance) C4'-P energy: -5.580 bonds (distance) P-C4' energy: -5.837 flat angles C4'-P-C4' energy: -4.730 flat angles P-C4'-P energy: -4.946 tors. eta vs tors. theta energy: -1.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 236 Temperature: 1.200000 Total energy: -29.397976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.397976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.397976 (E_RNA) where: Base-Base interactions energy: -9.093 where: short stacking energy: -9.093 Base-Backbone interact. energy: -0.005 local terms energy: -20.299977 where: bonds (distance) C4'-P energy: -4.624 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -5.600 flat angles P-C4'-P energy: -2.851 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: 8, replica: 5 ===================================== Write number: 236 Temperature: 1.250000 Total energy: -31.364236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.364236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.364236 (E_RNA) where: Base-Base interactions energy: -7.019 where: short stacking energy: -7.019 Base-Backbone interact. energy: -0.000 local terms energy: -24.345618 where: bonds (distance) C4'-P energy: -5.990 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.321 flat angles P-C4'-P energy: -3.411 tors. eta vs tors. theta energy: -2.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 236 Temperature: 1.300000 Total energy: -30.684263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.684263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.684263 (E_RNA) where: Base-Base interactions energy: -12.310 where: short stacking energy: -12.310 Base-Backbone interact. energy: -0.001 local terms energy: -18.373746 where: bonds (distance) C4'-P energy: -4.152 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -3.174 flat angles P-C4'-P energy: -3.601 tors. eta vs tors. theta energy: -0.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 236 Temperature: 1.350000 Total energy: -28.874879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.874879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.874879 (E_RNA) where: Base-Base interactions energy: -8.903 where: short stacking energy: -8.903 Base-Backbone interact. energy: -0.020 local terms energy: -19.951804 where: bonds (distance) C4'-P energy: -5.484 bonds (distance) P-C4' energy: -3.646 flat angles C4'-P-C4' energy: -5.287 flat angles P-C4'-P energy: -4.299 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: 1, replica: 8 ===================================== Write number: 237 Temperature: 0.900000 Total energy: -39.408952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.408952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.408952 (E_RNA) where: Base-Base interactions energy: -13.511 where: short stacking energy: -13.511 Base-Backbone interact. energy: -0.002 local terms energy: -25.896009 where: bonds (distance) C4'-P energy: -5.269 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -6.578 flat angles P-C4'-P energy: -3.364 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: 2, replica: 2 ===================================== Write number: 237 Temperature: 0.950000 Total energy: -39.644208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.644208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.644208 (E_RNA) where: Base-Base interactions energy: -16.696 where: short stacking energy: -16.696 Base-Backbone interact. energy: -0.001 local terms energy: -22.948049 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -6.122 flat angles C4'-P-C4' energy: -5.207 flat angles P-C4'-P energy: -3.518 tors. eta vs tors. theta energy: -2.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 237 Temperature: 1.000000 Total energy: -39.171911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.171911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.171911 (E_RNA) where: Base-Base interactions energy: -13.566 where: short stacking energy: -13.566 Base-Backbone interact. energy: -0.000 local terms energy: -25.606168 where: bonds (distance) C4'-P energy: -4.843 bonds (distance) P-C4' energy: -5.410 flat angles C4'-P-C4' energy: -5.152 flat angles P-C4'-P energy: -4.842 tors. eta vs tors. theta energy: -5.358 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: 4 ===================================== Write number: 237 Temperature: 1.050000 Total energy: -32.607394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.607394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.607394 (E_RNA) where: Base-Base interactions energy: -13.691 where: short stacking energy: -13.691 Base-Backbone interact. energy: -0.005 local terms energy: -18.911463 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -1.925 flat angles P-C4'-P energy: -2.531 tors. eta vs tors. theta energy: -2.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 237 Temperature: 1.100000 Total energy: -36.737811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.737811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.737811 (E_RNA) where: Base-Base interactions energy: -13.199 where: short stacking energy: -13.199 Base-Backbone interact. energy: -0.639 local terms energy: -22.899276 where: bonds (distance) C4'-P energy: -4.988 bonds (distance) P-C4' energy: -5.261 flat angles C4'-P-C4' energy: -6.573 flat angles P-C4'-P energy: -2.582 tors. eta vs tors. theta energy: -3.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 237 Temperature: 1.150000 Total energy: -37.305551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.305551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.305551 (E_RNA) where: Base-Base interactions energy: -13.233 where: short stacking energy: -13.233 Base-Backbone interact. energy: -0.038 local terms energy: -24.035013 where: bonds (distance) C4'-P energy: -5.411 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -5.177 flat angles P-C4'-P energy: -5.095 tors. eta vs tors. theta energy: -1.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 237 Temperature: 1.200000 Total energy: -30.910660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.910660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.910660 (E_RNA) where: Base-Base interactions energy: -7.562 where: short stacking energy: -7.762 Base-Backbone interact. energy: -0.870 local terms energy: -22.478916 where: bonds (distance) C4'-P energy: -6.354 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -4.773 flat angles P-C4'-P energy: -2.842 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: 8, replica: 9 ===================================== Write number: 237 Temperature: 1.250000 Total energy: -26.743547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.743547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.743547 (E_RNA) where: Base-Base interactions energy: -6.134 where: short stacking energy: -6.134 Base-Backbone interact. energy: -0.011 local terms energy: -20.598946 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -4.407 flat angles P-C4'-P energy: -2.450 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: 5 ===================================== Write number: 237 Temperature: 1.300000 Total energy: -31.640118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.640118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.640118 (E_RNA) where: Base-Base interactions energy: -9.698 where: short stacking energy: -9.698 Base-Backbone interact. energy: -0.000 local terms energy: -21.941802 where: bonds (distance) C4'-P energy: -4.727 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -5.308 flat angles P-C4'-P energy: -3.499 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: 10 ===================================== Write number: 237 Temperature: 1.350000 Total energy: -25.549455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.549455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.549455 (E_RNA) where: Base-Base interactions energy: -7.674 where: short stacking energy: -7.674 Base-Backbone interact. energy: 0.444 local terms energy: -18.319463 where: bonds (distance) C4'-P energy: -5.608 bonds (distance) P-C4' energy: -4.155 flat angles C4'-P-C4' energy: -3.512 flat angles P-C4'-P energy: -3.043 tors. eta vs tors. theta energy: -2.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 238 Temperature: 0.900000 Total energy: -40.370240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.370240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.370240 (E_RNA) where: Base-Base interactions energy: -14.544 where: short stacking energy: -14.544 Base-Backbone interact. energy: -0.006 local terms energy: -25.820346 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -6.093 flat angles P-C4'-P energy: -5.249 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: 2, replica: 2 ===================================== Write number: 238 Temperature: 0.950000 Total energy: -41.672483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.672483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.672483 (E_RNA) where: Base-Base interactions energy: -12.262 where: short stacking energy: -12.262 Base-Backbone interact. energy: -0.000 local terms energy: -29.410320 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -5.165 flat angles P-C4'-P energy: -4.756 tors. eta vs tors. theta energy: -6.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 238 Temperature: 1.000000 Total energy: -35.742094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.742094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.742094 (E_RNA) where: Base-Base interactions energy: -11.828 where: short stacking energy: -11.828 Base-Backbone interact. energy: -0.000 local terms energy: -23.913846 where: bonds (distance) C4'-P energy: -5.484 bonds (distance) P-C4' energy: -5.273 flat angles C4'-P-C4' energy: -5.866 flat angles P-C4'-P energy: -4.495 tors. eta vs tors. theta energy: -2.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 238 Temperature: 1.050000 Total energy: -32.452556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.452556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.452556 (E_RNA) where: Base-Base interactions energy: -12.376 where: short stacking energy: -12.632 Base-Backbone interact. energy: -0.169 local terms energy: -19.907069 where: bonds (distance) C4'-P energy: -5.199 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -6.024 flat angles P-C4'-P energy: -3.489 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: 5, replica: 7 ===================================== Write number: 238 Temperature: 1.100000 Total energy: -37.345552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.345552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.345552 (E_RNA) where: Base-Base interactions energy: -11.262 where: short stacking energy: -11.262 Base-Backbone interact. energy: -0.000 local terms energy: -26.082925 where: bonds (distance) C4'-P energy: -5.278 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -6.091 flat angles P-C4'-P energy: -3.987 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: 6, replica: 3 ===================================== Write number: 238 Temperature: 1.150000 Total energy: -31.659714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.659714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.659714 (E_RNA) where: Base-Base interactions energy: -9.254 where: short stacking energy: -9.254 Base-Backbone interact. energy: -0.082 local terms energy: -22.323136 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -5.703 flat angles P-C4'-P energy: -4.039 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: 7, replica: 9 ===================================== Write number: 238 Temperature: 1.200000 Total energy: -30.012222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.012222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.012222 (E_RNA) where: Base-Base interactions energy: -7.214 where: short stacking energy: -7.214 Base-Backbone interact. energy: -0.150 local terms energy: -22.648403 where: bonds (distance) C4'-P energy: -6.462 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -6.381 flat angles P-C4'-P energy: -2.548 tors. eta vs tors. theta energy: -0.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 238 Temperature: 1.250000 Total energy: -26.018586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.018586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.018586 (E_RNA) where: Base-Base interactions energy: -6.293 where: short stacking energy: -6.293 Base-Backbone interact. energy: -1.000 local terms energy: -18.725285 where: bonds (distance) C4'-P energy: -5.456 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -4.876 flat angles P-C4'-P energy: -2.189 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: 10 ===================================== Write number: 238 Temperature: 1.300000 Total energy: -29.791023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.791023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.791023 (E_RNA) where: Base-Base interactions energy: -7.813 where: short stacking energy: -7.813 Base-Backbone interact. energy: -0.000 local terms energy: -21.977574 where: bonds (distance) C4'-P energy: -4.923 bonds (distance) P-C4' energy: -4.540 flat angles C4'-P-C4' energy: -4.704 flat angles P-C4'-P energy: -4.055 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: 10, replica: 5 ===================================== Write number: 238 Temperature: 1.350000 Total energy: -29.109891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.109891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.109891 (E_RNA) where: Base-Base interactions energy: -6.926 where: short stacking energy: -6.926 Base-Backbone interact. energy: -0.000 local terms energy: -22.183691 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -4.741 flat angles P-C4'-P energy: -3.860 tors. eta vs tors. theta energy: -0.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 239 Temperature: 0.900000 Total energy: -38.777119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.777119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.777119 (E_RNA) where: Base-Base interactions energy: -13.535 where: short stacking energy: -13.535 Base-Backbone interact. energy: -0.185 local terms energy: -25.057050 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -6.884 flat angles P-C4'-P energy: -4.085 tors. eta vs tors. theta energy: -1.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 239 Temperature: 0.950000 Total energy: -38.911927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.911927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.911927 (E_RNA) where: Base-Base interactions energy: -12.658 where: short stacking energy: -12.658 Base-Backbone interact. energy: -0.100 local terms energy: -26.154424 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -5.530 flat angles C4'-P-C4' energy: -5.957 flat angles P-C4'-P energy: -4.468 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: 2 ===================================== Write number: 239 Temperature: 1.000000 Total energy: -43.406430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.406430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.406430 (E_RNA) where: Base-Base interactions energy: -17.194 where: short stacking energy: -17.194 Base-Backbone interact. energy: -0.001 local terms energy: -26.211056 where: bonds (distance) C4'-P energy: -6.014 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -6.067 flat angles P-C4'-P energy: -3.558 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: 7 ===================================== Write number: 239 Temperature: 1.050000 Total energy: -34.458769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.458769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.458769 (E_RNA) where: Base-Base interactions energy: -11.058 where: short stacking energy: -11.058 Base-Backbone interact. energy: -0.095 local terms energy: -23.305403 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -4.875 flat angles P-C4'-P energy: -3.869 tors. eta vs tors. theta energy: -2.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 239 Temperature: 1.100000 Total energy: -32.488493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.488493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.488493 (E_RNA) where: Base-Base interactions energy: -9.191 where: short stacking energy: -9.191 Base-Backbone interact. energy: -0.000 local terms energy: -23.297850 where: bonds (distance) C4'-P energy: -3.361 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -6.626 flat angles P-C4'-P energy: -4.574 tors. eta vs tors. theta energy: -1.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 239 Temperature: 1.150000 Total energy: -38.192176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.192176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.192176 (E_RNA) where: Base-Base interactions energy: -12.600 where: short stacking energy: -12.600 Base-Backbone interact. energy: -0.001 local terms energy: -25.591566 where: bonds (distance) C4'-P energy: -5.435 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -5.030 flat angles P-C4'-P energy: -5.289 tors. eta vs tors. theta energy: -3.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 239 Temperature: 1.200000 Total energy: -33.796945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.796945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.796945 (E_RNA) where: Base-Base interactions energy: -12.364 where: short stacking energy: -12.364 Base-Backbone interact. energy: -0.014 local terms energy: -21.418227 where: bonds (distance) C4'-P energy: -5.277 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -6.043 flat angles P-C4'-P energy: -3.026 tors. eta vs tors. theta energy: -0.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 239 Temperature: 1.250000 Total energy: -27.591099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.591099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.591099 (E_RNA) where: Base-Base interactions energy: -9.731 where: short stacking energy: -9.731 Base-Backbone interact. energy: -0.166 local terms energy: -17.693655 where: bonds (distance) C4'-P energy: -4.959 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -3.062 flat angles P-C4'-P energy: -4.107 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: 9, replica: 6 ===================================== Write number: 239 Temperature: 1.300000 Total energy: -34.533041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.533041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.533041 (E_RNA) where: Base-Base interactions energy: -11.867 where: short stacking energy: -11.967 Base-Backbone interact. energy: -0.760 local terms energy: -21.906120 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -5.938 flat angles C4'-P-C4' energy: -5.323 flat angles P-C4'-P energy: -2.199 tors. eta vs tors. theta energy: -2.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 239 Temperature: 1.350000 Total energy: -31.704918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.704918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.704918 (E_RNA) where: Base-Base interactions energy: -8.294 where: short stacking energy: -8.294 Base-Backbone interact. energy: -0.006 local terms energy: -23.405184 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -5.346 flat angles C4'-P-C4' energy: -4.181 flat angles P-C4'-P energy: -3.844 tors. eta vs tors. theta energy: -4.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 240 Temperature: 0.900000 Total energy: -38.764336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.764336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.764336 (E_RNA) where: Base-Base interactions energy: -14.388 where: short stacking energy: -14.388 Base-Backbone interact. energy: -0.001 local terms energy: -24.375990 where: bonds (distance) C4'-P energy: -5.775 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.232 flat angles P-C4'-P energy: -3.891 tors. eta vs tors. theta energy: -3.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 240 Temperature: 0.950000 Total energy: -38.878821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.878821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.878821 (E_RNA) where: Base-Base interactions energy: -14.298 where: short stacking energy: -14.298 Base-Backbone interact. energy: -0.033 local terms energy: -24.548245 where: bonds (distance) C4'-P energy: -5.721 bonds (distance) P-C4' energy: -5.444 flat angles C4'-P-C4' energy: -5.771 flat angles P-C4'-P energy: -4.043 tors. eta vs tors. theta energy: -3.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 240 Temperature: 1.000000 Total energy: -34.376839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.376839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.376839 (E_RNA) where: Base-Base interactions energy: -12.055 where: short stacking energy: -12.390 Base-Backbone interact. energy: -0.001 local terms energy: -22.320765 where: bonds (distance) C4'-P energy: -6.006 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -4.233 flat angles P-C4'-P energy: -2.909 tors. eta vs tors. theta energy: -2.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 240 Temperature: 1.050000 Total energy: -36.302701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.302701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.302701 (E_RNA) where: Base-Base interactions energy: -17.415 where: short stacking energy: -17.415 Base-Backbone interact. energy: -0.003 local terms energy: -18.885329 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -5.150 flat angles C4'-P-C4' energy: -2.825 flat angles P-C4'-P energy: -3.435 tors. eta vs tors. theta energy: -1.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 240 Temperature: 1.100000 Total energy: -33.935417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.935417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.935417 (E_RNA) where: Base-Base interactions energy: -8.708 where: short stacking energy: -8.708 Base-Backbone interact. energy: -0.001 local terms energy: -25.226093 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -5.228 flat angles P-C4'-P energy: -3.978 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: 6, replica: 1 ===================================== Write number: 240 Temperature: 1.150000 Total energy: -33.543826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.543826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.543826 (E_RNA) where: Base-Base interactions energy: -13.852 where: short stacking energy: -13.852 Base-Backbone interact. energy: -0.021 local terms energy: -19.671529 where: bonds (distance) C4'-P energy: -4.781 bonds (distance) P-C4' energy: -5.343 flat angles C4'-P-C4' energy: -6.339 flat angles P-C4'-P energy: -2.517 tors. eta vs tors. theta energy: -0.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 240 Temperature: 1.200000 Total energy: -29.405595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.405595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.405595 (E_RNA) where: Base-Base interactions energy: -12.006 where: short stacking energy: -12.006 Base-Backbone interact. energy: -0.000 local terms energy: -17.398967 where: bonds (distance) C4'-P energy: -2.475 bonds (distance) P-C4' energy: -4.177 flat angles C4'-P-C4' energy: -3.689 flat angles P-C4'-P energy: -4.075 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: 8, replica: 3 ===================================== Write number: 240 Temperature: 1.250000 Total energy: -29.365893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.365893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.365893 (E_RNA) where: Base-Base interactions energy: -9.168 where: short stacking energy: -9.168 Base-Backbone interact. energy: -0.000 local terms energy: -20.197562 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -6.886 flat angles C4'-P-C4' energy: -6.024 flat angles P-C4'-P energy: -1.531 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: 9, replica: 5 ===================================== Write number: 240 Temperature: 1.300000 Total energy: -33.731308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.731308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.731308 (E_RNA) where: Base-Base interactions energy: -11.881 where: short stacking energy: -11.881 Base-Backbone interact. energy: -0.001 local terms energy: -21.848784 where: bonds (distance) C4'-P energy: -5.837 bonds (distance) P-C4' energy: -3.944 flat angles C4'-P-C4' energy: -4.670 flat angles P-C4'-P energy: -3.488 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: 10, replica: 6 ===================================== Write number: 240 Temperature: 1.350000 Total energy: -27.878730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.878730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.878730 (E_RNA) where: Base-Base interactions energy: -2.759 where: short stacking energy: -2.759 Base-Backbone interact. energy: -0.074 local terms energy: -25.046015 where: bonds (distance) C4'-P energy: -6.453 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -5.517 flat angles P-C4'-P energy: -4.392 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: 1, replica: 4 ===================================== Write number: 241 Temperature: 0.900000 Total energy: -43.724813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.724813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.724813 (E_RNA) where: Base-Base interactions energy: -18.069 where: short stacking energy: -18.069 Base-Backbone interact. energy: -0.008 local terms energy: -25.647859 where: bonds (distance) C4'-P energy: -5.580 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -4.859 flat angles P-C4'-P energy: -4.652 tors. eta vs tors. theta energy: -3.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 241 Temperature: 0.950000 Total energy: -38.251877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.251877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.251877 (E_RNA) where: Base-Base interactions energy: -14.823 where: short stacking energy: -14.823 Base-Backbone interact. energy: -0.000 local terms energy: -23.428419 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -5.339 flat angles P-C4'-P energy: -1.764 tors. eta vs tors. theta energy: -4.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 241 Temperature: 1.000000 Total energy: -37.662242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.662242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.662242 (E_RNA) where: Base-Base interactions energy: -14.341 where: short stacking energy: -14.341 Base-Backbone interact. energy: -0.004 local terms energy: -23.316980 where: bonds (distance) C4'-P energy: -4.880 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -4.757 flat angles P-C4'-P energy: -2.552 tors. eta vs tors. theta energy: -5.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 241 Temperature: 1.050000 Total energy: -37.673029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.673029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.673029 (E_RNA) where: Base-Base interactions energy: -17.247 where: short stacking energy: -17.247 Base-Backbone interact. energy: -0.047 local terms energy: -20.378697 where: bonds (distance) C4'-P energy: -3.928 bonds (distance) P-C4' energy: -4.892 flat angles C4'-P-C4' energy: -3.713 flat angles P-C4'-P energy: -5.556 tors. eta vs tors. theta energy: -2.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 241 Temperature: 1.100000 Total energy: -35.614014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.614014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.614014 (E_RNA) where: Base-Base interactions energy: -17.002 where: short stacking energy: -17.002 Base-Backbone interact. energy: -0.000 local terms energy: -18.611891 where: bonds (distance) C4'-P energy: -3.539 bonds (distance) P-C4' energy: -4.165 flat angles C4'-P-C4' energy: -5.101 flat angles P-C4'-P energy: -3.416 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: 6, replica: 10 ===================================== Write number: 241 Temperature: 1.150000 Total energy: -35.231697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.231697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.231697 (E_RNA) where: Base-Base interactions energy: -12.918 where: short stacking energy: -12.918 Base-Backbone interact. energy: -0.007 local terms energy: -22.306578 where: bonds (distance) C4'-P energy: -5.368 bonds (distance) P-C4' energy: -4.628 flat angles C4'-P-C4' energy: -5.619 flat angles P-C4'-P energy: -4.553 tors. eta vs tors. theta energy: -2.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 241 Temperature: 1.200000 Total energy: -31.721301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.721301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.721301 (E_RNA) where: Base-Base interactions energy: -14.358 where: short stacking energy: -14.358 Base-Backbone interact. energy: -0.022 local terms energy: -17.341351 where: bonds (distance) C4'-P energy: -2.942 bonds (distance) P-C4' energy: -5.040 flat angles C4'-P-C4' energy: -6.244 flat angles P-C4'-P energy: -2.436 tors. eta vs tors. theta energy: -0.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 241 Temperature: 1.250000 Total energy: -30.125545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.125545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.125545 (E_RNA) where: Base-Base interactions energy: -7.515 where: short stacking energy: -7.515 Base-Backbone interact. energy: -0.021 local terms energy: -22.588868 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.177 flat angles C4'-P-C4' energy: -5.740 flat angles P-C4'-P energy: -4.559 tors. eta vs tors. theta energy: 0.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 241 Temperature: 1.300000 Total energy: -32.114449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.114449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.114449 (E_RNA) where: Base-Base interactions energy: -11.145 where: short stacking energy: -11.145 Base-Backbone interact. energy: -0.000 local terms energy: -20.969240 where: bonds (distance) C4'-P energy: -4.624 bonds (distance) P-C4' energy: -6.094 flat angles C4'-P-C4' energy: -4.738 flat angles P-C4'-P energy: -3.062 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: 10, replica: 6 ===================================== Write number: 241 Temperature: 1.350000 Total energy: -26.885122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.885122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.885122 (E_RNA) where: Base-Base interactions energy: -7.131 where: short stacking energy: -7.131 Base-Backbone interact. energy: -0.001 local terms energy: -19.752829 where: bonds (distance) C4'-P energy: -4.347 bonds (distance) P-C4' energy: -3.527 flat angles C4'-P-C4' energy: -6.224 flat angles P-C4'-P energy: -4.360 tors. eta vs tors. theta energy: -1.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 242 Temperature: 0.900000 Total energy: -41.196019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.196019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.196019 (E_RNA) where: Base-Base interactions energy: -17.128 where: short stacking energy: -17.128 Base-Backbone interact. energy: -0.001 local terms energy: -24.067922 where: bonds (distance) C4'-P energy: -5.998 bonds (distance) P-C4' energy: -3.711 flat angles C4'-P-C4' energy: -4.919 flat angles P-C4'-P energy: -5.038 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: 2, replica: 7 ===================================== Write number: 242 Temperature: 0.950000 Total energy: -39.376455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.376455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.376455 (E_RNA) where: Base-Base interactions energy: -12.770 where: short stacking energy: -12.770 Base-Backbone interact. energy: -0.634 local terms energy: -25.972792 where: bonds (distance) C4'-P energy: -5.348 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -6.099 flat angles P-C4'-P energy: -3.929 tors. eta vs tors. theta energy: -4.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 242 Temperature: 1.000000 Total energy: -45.194827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.194827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.194827 (E_RNA) where: Base-Base interactions energy: -17.161 where: short stacking energy: -17.161 Base-Backbone interact. energy: -0.000 local terms energy: -28.033356 where: bonds (distance) C4'-P energy: -4.748 bonds (distance) P-C4' energy: -5.941 flat angles C4'-P-C4' energy: -6.313 flat angles P-C4'-P energy: -3.910 tors. eta vs tors. theta energy: -7.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 242 Temperature: 1.050000 Total energy: -31.677399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.677399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.677399 (E_RNA) where: Base-Base interactions energy: -9.662 where: short stacking energy: -9.662 Base-Backbone interact. energy: -0.000 local terms energy: -22.015024 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -4.156 flat angles P-C4'-P energy: -3.612 tors. eta vs tors. theta energy: -3.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 242 Temperature: 1.100000 Total energy: -35.431978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.431978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.431978 (E_RNA) where: Base-Base interactions energy: -11.756 where: short stacking energy: -11.756 Base-Backbone interact. energy: -0.001 local terms energy: -23.674424 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -4.492 flat angles P-C4'-P energy: -5.017 tors. eta vs tors. theta energy: -1.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 242 Temperature: 1.150000 Total energy: -33.799021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.799021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.799021 (E_RNA) where: Base-Base interactions energy: -13.810 where: short stacking energy: -13.810 Base-Backbone interact. energy: -0.004 local terms energy: -19.984898 where: bonds (distance) C4'-P energy: -3.759 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -4.027 flat angles P-C4'-P energy: -2.988 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: 5 ===================================== Write number: 242 Temperature: 1.200000 Total energy: -29.963192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.963192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.963192 (E_RNA) where: Base-Base interactions energy: -6.618 where: short stacking energy: -6.122 Base-Backbone interact. energy: -0.000 local terms energy: -23.345180 where: bonds (distance) C4'-P energy: -5.357 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -4.281 flat angles P-C4'-P energy: -4.330 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: 8, replica: 1 ===================================== Write number: 242 Temperature: 1.250000 Total energy: -38.274183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.274183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.274183 (E_RNA) where: Base-Base interactions energy: -17.815 where: short stacking energy: -17.815 Base-Backbone interact. energy: -0.080 local terms energy: -20.378773 where: bonds (distance) C4'-P energy: -3.539 bonds (distance) P-C4' energy: -5.427 flat angles C4'-P-C4' energy: -4.257 flat angles P-C4'-P energy: -3.823 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: 9, replica: 6 ===================================== Write number: 242 Temperature: 1.300000 Total energy: -29.651818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.651818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.651818 (E_RNA) where: Base-Base interactions energy: -10.713 where: short stacking energy: -10.713 Base-Backbone interact. energy: -0.000 local terms energy: -18.938314 where: bonds (distance) C4'-P energy: -3.600 bonds (distance) P-C4' energy: -7.130 flat angles C4'-P-C4' energy: -6.642 flat angles P-C4'-P energy: -1.118 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: 10, replica: 3 ===================================== Write number: 242 Temperature: 1.350000 Total energy: -30.320005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.320005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.320005 (E_RNA) where: Base-Base interactions energy: -9.114 where: short stacking energy: -9.114 Base-Backbone interact. energy: -0.000 local terms energy: -21.205878 where: bonds (distance) C4'-P energy: -4.761 bonds (distance) P-C4' energy: -6.199 flat angles C4'-P-C4' energy: -5.919 flat angles P-C4'-P energy: -3.668 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: 1, replica: 4 ===================================== Write number: 243 Temperature: 0.900000 Total energy: -41.466893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.466893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.466893 (E_RNA) where: Base-Base interactions energy: -15.980 where: short stacking energy: -15.980 Base-Backbone interact. energy: -0.000 local terms energy: -25.487225 where: bonds (distance) C4'-P energy: -5.207 bonds (distance) P-C4' energy: -5.594 flat angles C4'-P-C4' energy: -6.137 flat angles P-C4'-P energy: -3.900 tors. eta vs tors. theta energy: -4.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 243 Temperature: 0.950000 Total energy: -40.345661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.345661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.345661 (E_RNA) where: Base-Base interactions energy: -14.348 where: short stacking energy: -14.348 Base-Backbone interact. energy: -0.016 local terms energy: -25.981189 where: bonds (distance) C4'-P energy: -5.608 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -5.266 flat angles P-C4'-P energy: -3.429 tors. eta vs tors. theta energy: -5.718 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: 9 ===================================== Write number: 243 Temperature: 1.000000 Total energy: -38.726886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.726886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.726886 (E_RNA) where: Base-Base interactions energy: -14.186 where: short stacking energy: -14.186 Base-Backbone interact. energy: -0.002 local terms energy: -24.539421 where: bonds (distance) C4'-P energy: -4.913 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -5.011 flat angles P-C4'-P energy: -1.861 tors. eta vs tors. theta energy: -5.847 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: 243 Temperature: 1.050000 Total energy: -36.187379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.187379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.187379 (E_RNA) where: Base-Base interactions energy: -12.312 where: short stacking energy: -12.312 Base-Backbone interact. energy: -0.000 local terms energy: -23.875065 where: bonds (distance) C4'-P energy: -5.651 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -2.565 flat angles P-C4'-P energy: -2.130 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: 5, replica: 8 ===================================== Write number: 243 Temperature: 1.100000 Total energy: -37.845507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.845507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.845507 (E_RNA) where: Base-Base interactions energy: -11.911 where: short stacking energy: -11.911 Base-Backbone interact. energy: -0.000 local terms energy: -25.934192 where: bonds (distance) C4'-P energy: -4.682 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.960 flat angles P-C4'-P energy: -4.359 tors. eta vs tors. theta energy: -4.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 243 Temperature: 1.150000 Total energy: -31.548282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.548282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.548282 (E_RNA) where: Base-Base interactions energy: -10.066 where: short stacking energy: -10.066 Base-Backbone interact. energy: -0.006 local terms energy: -21.476492 where: bonds (distance) C4'-P energy: -6.105 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -4.337 flat angles P-C4'-P energy: -2.481 tors. eta vs tors. theta energy: -1.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 243 Temperature: 1.200000 Total energy: -30.676405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.676405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.676405 (E_RNA) where: Base-Base interactions energy: -8.929 where: short stacking energy: -8.929 Base-Backbone interact. energy: -0.003 local terms energy: -21.744713 where: bonds (distance) C4'-P energy: -4.462 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.728 flat angles P-C4'-P energy: -4.836 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: 8, replica: 6 ===================================== Write number: 243 Temperature: 1.250000 Total energy: -30.658233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.658233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.658233 (E_RNA) where: Base-Base interactions energy: -10.608 where: short stacking energy: -10.373 Base-Backbone interact. energy: -0.010 local terms energy: -20.040478 where: bonds (distance) C4'-P energy: -5.225 bonds (distance) P-C4' energy: -5.202 flat angles C4'-P-C4' energy: -5.690 flat angles P-C4'-P energy: -2.743 tors. eta vs tors. theta energy: -1.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 243 Temperature: 1.300000 Total energy: -36.609938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.609938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.609938 (E_RNA) where: Base-Base interactions energy: -15.177 where: short stacking energy: -15.177 Base-Backbone interact. energy: -0.000 local terms energy: -21.432655 where: bonds (distance) C4'-P energy: -5.998 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -3.611 flat angles P-C4'-P energy: -2.421 tors. eta vs tors. theta energy: -3.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 243 Temperature: 1.350000 Total energy: -26.703967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.703967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.703967 (E_RNA) where: Base-Base interactions energy: -5.948 where: short stacking energy: -5.948 Base-Backbone interact. energy: -0.118 local terms energy: -20.637666 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -6.391 flat angles P-C4'-P energy: -4.051 tors. eta vs tors. theta energy: 0.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 244 Temperature: 0.900000 Total energy: -36.494316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.494316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.494316 (E_RNA) where: Base-Base interactions energy: -12.453 where: short stacking energy: -12.453 Base-Backbone interact. energy: -0.000 local terms energy: -24.040916 where: bonds (distance) C4'-P energy: -5.766 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -4.848 flat angles P-C4'-P energy: -4.788 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: 2, replica: 4 ===================================== Write number: 244 Temperature: 0.950000 Total energy: -41.833214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.833214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.833214 (E_RNA) where: Base-Base interactions energy: -16.604 where: short stacking energy: -16.604 Base-Backbone interact. energy: -0.010 local terms energy: -25.219479 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -4.877 flat angles P-C4'-P energy: -4.638 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: 9 ===================================== Write number: 244 Temperature: 1.000000 Total energy: -37.975395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.975395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.975395 (E_RNA) where: Base-Base interactions energy: -14.607 where: short stacking energy: -14.607 Base-Backbone interact. energy: -0.002 local terms energy: -23.366526 where: bonds (distance) C4'-P energy: -6.014 bonds (distance) P-C4' energy: -6.118 flat angles C4'-P-C4' energy: -5.914 flat angles P-C4'-P energy: -4.799 tors. eta vs tors. theta energy: -0.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 244 Temperature: 1.050000 Total energy: -37.891119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.891119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.891119 (E_RNA) where: Base-Base interactions energy: -12.029 where: short stacking energy: -12.029 Base-Backbone interact. energy: -0.001 local terms energy: -25.861685 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.076 flat angles P-C4'-P energy: -4.270 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: 5 ===================================== Write number: 244 Temperature: 1.100000 Total energy: -38.389728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.389728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.389728 (E_RNA) where: Base-Base interactions energy: -10.165 where: short stacking energy: -10.465 Base-Backbone interact. energy: -0.243 local terms energy: -27.981827 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -6.653 flat angles C4'-P-C4' energy: -6.002 flat angles P-C4'-P energy: -4.855 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: 6, replica: 8 ===================================== Write number: 244 Temperature: 1.150000 Total energy: -34.387846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.387846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.387846 (E_RNA) where: Base-Base interactions energy: -10.496 where: short stacking energy: -10.496 Base-Backbone interact. energy: -0.004 local terms energy: -23.888172 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -3.153 flat angles P-C4'-P energy: -5.015 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: 6 ===================================== Write number: 244 Temperature: 1.200000 Total energy: -31.491209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.491209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.491209 (E_RNA) where: Base-Base interactions energy: -8.701 where: short stacking energy: -8.701 Base-Backbone interact. energy: -0.160 local terms energy: -22.630623 where: bonds (distance) C4'-P energy: -4.619 bonds (distance) P-C4' energy: -5.723 flat angles C4'-P-C4' energy: -6.328 flat angles P-C4'-P energy: -4.764 tors. eta vs tors. theta energy: -1.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 244 Temperature: 1.250000 Total energy: -34.277204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.277204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.277204 (E_RNA) where: Base-Base interactions energy: -12.997 where: short stacking energy: -12.997 Base-Backbone interact. energy: -0.008 local terms energy: -21.271987 where: bonds (distance) C4'-P energy: -2.943 bonds (distance) P-C4' energy: -5.864 flat angles C4'-P-C4' energy: -4.453 flat angles P-C4'-P energy: -3.686 tors. eta vs tors. theta energy: -4.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 244 Temperature: 1.300000 Total energy: -31.051197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.051197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.051197 (E_RNA) where: Base-Base interactions energy: -9.488 where: short stacking energy: -9.488 Base-Backbone interact. energy: -0.089 local terms energy: -21.473952 where: bonds (distance) C4'-P energy: -3.573 bonds (distance) P-C4' energy: -4.702 flat angles C4'-P-C4' energy: -5.339 flat angles P-C4'-P energy: -3.785 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: 10, replica: 3 ===================================== Write number: 244 Temperature: 1.350000 Total energy: -30.884788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.884788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.884788 (E_RNA) where: Base-Base interactions energy: -9.228 where: short stacking energy: -9.228 Base-Backbone interact. energy: -0.088 local terms energy: -21.568505 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -5.162 flat angles P-C4'-P energy: -3.979 tors. eta vs tors. theta energy: 0.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 245 Temperature: 0.900000 Total energy: -40.075615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.075615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.075615 (E_RNA) where: Base-Base interactions energy: -18.057 where: short stacking energy: -18.057 Base-Backbone interact. energy: -0.006 local terms energy: -22.012645 where: bonds (distance) C4'-P energy: -5.696 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -3.997 flat angles P-C4'-P energy: -2.687 tors. eta vs tors. theta energy: -2.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 245 Temperature: 0.950000 Total energy: -43.957271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.957271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.957271 (E_RNA) where: Base-Base interactions energy: -17.827 where: short stacking energy: -17.827 Base-Backbone interact. energy: -0.000 local terms energy: -26.130654 where: bonds (distance) C4'-P energy: -6.105 bonds (distance) P-C4' energy: -5.868 flat angles C4'-P-C4' energy: -3.888 flat angles P-C4'-P energy: -4.514 tors. eta vs tors. theta energy: -5.756 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: 3, replica: 4 ===================================== Write number: 245 Temperature: 1.000000 Total energy: -31.852413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.852413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.852413 (E_RNA) where: Base-Base interactions energy: -12.669 where: short stacking energy: -12.669 Base-Backbone interact. energy: -0.015 local terms energy: -19.167900 where: bonds (distance) C4'-P energy: -5.473 bonds (distance) P-C4' energy: -5.635 flat angles C4'-P-C4' energy: -6.333 flat angles P-C4'-P energy: -2.039 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: 4, replica: 5 ===================================== Write number: 245 Temperature: 1.050000 Total energy: -39.236332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.236332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.236332 (E_RNA) where: Base-Base interactions energy: -17.750 where: short stacking energy: -17.750 Base-Backbone interact. energy: -0.000 local terms energy: -21.486524 where: bonds (distance) C4'-P energy: -3.237 bonds (distance) P-C4' energy: -3.555 flat angles C4'-P-C4' energy: -5.210 flat angles P-C4'-P energy: -3.120 tors. eta vs tors. theta energy: -6.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 245 Temperature: 1.100000 Total energy: -34.843776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.843776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.843776 (E_RNA) where: Base-Base interactions energy: -12.838 where: short stacking energy: -12.838 Base-Backbone interact. energy: -0.001 local terms energy: -22.005240 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -6.303 flat angles P-C4'-P energy: -2.698 tors. eta vs tors. theta energy: -0.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 245 Temperature: 1.150000 Total energy: -33.869922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.869922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.869922 (E_RNA) where: Base-Base interactions energy: -13.036 where: short stacking energy: -13.036 Base-Backbone interact. energy: -0.053 local terms energy: -20.781494 where: bonds (distance) C4'-P energy: -3.680 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -6.114 flat angles P-C4'-P energy: -1.830 tors. eta vs tors. theta energy: -2.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 245 Temperature: 1.200000 Total energy: -32.767103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.767103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.767103 (E_RNA) where: Base-Base interactions energy: -12.184 where: short stacking energy: -12.419 Base-Backbone interact. energy: -0.175 local terms energy: -20.408261 where: bonds (distance) C4'-P energy: -5.775 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.056 flat angles P-C4'-P energy: -2.898 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: 1 ===================================== Write number: 245 Temperature: 1.250000 Total energy: -33.474437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.474437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.474437 (E_RNA) where: Base-Base interactions energy: -12.235 where: short stacking energy: -12.235 Base-Backbone interact. energy: -0.027 local terms energy: -21.211854 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -4.870 flat angles P-C4'-P energy: -3.090 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: 9, replica: 2 ===================================== Write number: 245 Temperature: 1.300000 Total energy: -29.880937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.880937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.880937 (E_RNA) where: Base-Base interactions energy: -7.549 where: short stacking energy: -7.549 Base-Backbone interact. energy: -0.096 local terms energy: -22.235916 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -5.339 flat angles C4'-P-C4' energy: -6.130 flat angles P-C4'-P energy: -3.236 tors. eta vs tors. theta energy: -1.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 245 Temperature: 1.350000 Total energy: -28.314203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.314203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.314203 (E_RNA) where: Base-Base interactions energy: -9.009 where: short stacking energy: -9.009 Base-Backbone interact. energy: 0.199 local terms energy: -19.504037 where: bonds (distance) C4'-P energy: -3.448 bonds (distance) P-C4' energy: -5.304 flat angles C4'-P-C4' energy: -5.773 flat angles P-C4'-P energy: -5.040 tors. eta vs tors. theta energy: 0.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 246 Temperature: 0.900000 Total energy: -39.927893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.927893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.927893 (E_RNA) where: Base-Base interactions energy: -15.712 where: short stacking energy: -15.712 Base-Backbone interact. energy: -0.007 local terms energy: -24.209229 where: bonds (distance) C4'-P energy: -5.729 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -5.052 flat angles P-C4'-P energy: -4.723 tors. eta vs tors. theta energy: -2.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 246 Temperature: 0.950000 Total energy: -40.334896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.334896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.334896 (E_RNA) where: Base-Base interactions energy: -11.519 where: short stacking energy: -11.519 Base-Backbone interact. energy: -0.000 local terms energy: -28.816344 where: bonds (distance) C4'-P energy: -6.006 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.030 flat angles P-C4'-P energy: -4.311 tors. eta vs tors. theta energy: -6.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 246 Temperature: 1.000000 Total energy: -31.193224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.193224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.193224 (E_RNA) where: Base-Base interactions energy: -8.948 where: short stacking energy: -8.948 Base-Backbone interact. energy: -0.657 local terms energy: -21.587621 where: bonds (distance) C4'-P energy: -5.659 bonds (distance) P-C4' energy: -5.491 flat angles C4'-P-C4' energy: -5.423 flat angles P-C4'-P energy: -1.573 tors. eta vs tors. theta energy: -3.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 246 Temperature: 1.050000 Total energy: -41.158659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.158659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.158659 (E_RNA) where: Base-Base interactions energy: -16.105 where: short stacking energy: -16.969 Base-Backbone interact. energy: -0.000 local terms energy: -25.054096 where: bonds (distance) C4'-P energy: -4.202 bonds (distance) P-C4' energy: -5.889 flat angles C4'-P-C4' energy: -5.852 flat angles P-C4'-P energy: -4.590 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: 6 ===================================== Write number: 246 Temperature: 1.100000 Total energy: -33.163199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.163199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.163199 (E_RNA) where: Base-Base interactions energy: -12.891 where: short stacking energy: -12.891 Base-Backbone interact. energy: -0.004 local terms energy: -20.268088 where: bonds (distance) C4'-P energy: -4.508 bonds (distance) P-C4' energy: -4.463 flat angles C4'-P-C4' energy: -4.254 flat angles P-C4'-P energy: -2.967 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: 6, replica: 10 ===================================== Write number: 246 Temperature: 1.150000 Total energy: -30.388833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.388833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.388833 (E_RNA) where: Base-Base interactions energy: -10.592 where: short stacking energy: -10.592 Base-Backbone interact. energy: -0.001 local terms energy: -19.796125 where: bonds (distance) C4'-P energy: -4.346 bonds (distance) P-C4' energy: -5.537 flat angles C4'-P-C4' energy: -4.754 flat angles P-C4'-P energy: -2.283 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: 1 ===================================== Write number: 246 Temperature: 1.200000 Total energy: -32.640438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.640438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.640438 (E_RNA) where: Base-Base interactions energy: -8.701 where: short stacking energy: -8.701 Base-Backbone interact. energy: -0.000 local terms energy: -23.939071 where: bonds (distance) C4'-P energy: -6.168 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -4.124 flat angles P-C4'-P energy: -3.625 tors. eta vs tors. theta energy: -3.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 246 Temperature: 1.250000 Total energy: -28.183752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.183752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.183752 (E_RNA) where: Base-Base interactions energy: -8.468 where: short stacking energy: -8.468 Base-Backbone interact. energy: -0.072 local terms energy: -19.643706 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -5.083 flat angles C4'-P-C4' energy: -3.627 flat angles P-C4'-P energy: -5.374 tors. eta vs tors. theta energy: -0.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 246 Temperature: 1.300000 Total energy: -32.907322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.907322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.907322 (E_RNA) where: Base-Base interactions energy: -12.775 where: short stacking energy: -12.775 Base-Backbone interact. energy: -0.063 local terms energy: -20.069881 where: bonds (distance) C4'-P energy: -3.626 bonds (distance) P-C4' energy: -6.199 flat angles C4'-P-C4' energy: -5.069 flat angles P-C4'-P energy: -3.590 tors. eta vs tors. theta energy: -1.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 246 Temperature: 1.350000 Total energy: -26.930274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.930274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.930274 (E_RNA) where: Base-Base interactions energy: -8.702 where: short stacking energy: -8.702 Base-Backbone interact. energy: -0.001 local terms energy: -18.227933 where: bonds (distance) C4'-P energy: -4.523 bonds (distance) P-C4' energy: -6.873 flat angles C4'-P-C4' energy: -4.660 flat angles P-C4'-P energy: -3.041 tors. eta vs tors. theta energy: 0.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 247 Temperature: 0.900000 Total energy: -41.282892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.282892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.282892 (E_RNA) where: Base-Base interactions energy: -16.989 where: short stacking energy: -16.989 Base-Backbone interact. energy: -0.000 local terms energy: -24.293111 where: bonds (distance) C4'-P energy: -3.899 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -5.386 flat angles P-C4'-P energy: -4.741 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: 2, replica: 7 ===================================== Write number: 247 Temperature: 0.950000 Total energy: -39.266546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.266546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.266546 (E_RNA) where: Base-Base interactions energy: -13.975 where: short stacking energy: -14.189 Base-Backbone interact. energy: -0.090 local terms energy: -25.202158 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.711 flat angles P-C4'-P energy: -3.566 tors. eta vs tors. theta energy: -2.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 247 Temperature: 1.000000 Total energy: -37.721761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.721761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.721761 (E_RNA) where: Base-Base interactions energy: -14.291 where: short stacking energy: -14.291 Base-Backbone interact. energy: -0.046 local terms energy: -23.384390 where: bonds (distance) C4'-P energy: -4.160 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -6.401 flat angles P-C4'-P energy: -4.724 tors. eta vs tors. theta energy: -1.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 247 Temperature: 1.050000 Total energy: -36.434729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.434729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.434729 (E_RNA) where: Base-Base interactions energy: -12.058 where: short stacking energy: -12.058 Base-Backbone interact. energy: -0.000 local terms energy: -24.376386 where: bonds (distance) C4'-P energy: -5.277 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -5.690 flat angles P-C4'-P energy: -4.072 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: 5, replica: 4 ===================================== Write number: 247 Temperature: 1.100000 Total energy: -37.030412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.030412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.030412 (E_RNA) where: Base-Base interactions energy: -11.560 where: short stacking energy: -11.560 Base-Backbone interact. energy: -0.000 local terms energy: -25.470653 where: bonds (distance) C4'-P energy: -5.456 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -5.268 flat angles P-C4'-P energy: -3.294 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: 1 ===================================== Write number: 247 Temperature: 1.150000 Total energy: -33.018556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.018556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.018556 (E_RNA) where: Base-Base interactions energy: -12.096 where: short stacking energy: -12.096 Base-Backbone interact. energy: -0.000 local terms energy: -20.922481 where: bonds (distance) C4'-P energy: -4.719 bonds (distance) P-C4' energy: -5.973 flat angles C4'-P-C4' energy: -4.171 flat angles P-C4'-P energy: -2.948 tors. eta vs tors. theta energy: -3.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 247 Temperature: 1.200000 Total energy: -38.030646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.030646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.030646 (E_RNA) where: Base-Base interactions energy: -17.864 where: short stacking energy: -17.864 Base-Backbone interact. energy: -0.000 local terms energy: -20.166333 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -1.778 flat angles C4'-P-C4' energy: -4.633 flat angles P-C4'-P energy: -4.126 tors. eta vs tors. theta energy: -3.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 247 Temperature: 1.250000 Total energy: -30.338670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.338670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.338670 (E_RNA) where: Base-Base interactions energy: -7.432 where: short stacking energy: -7.432 Base-Backbone interact. energy: -0.191 local terms energy: -22.715912 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -5.833 flat angles C4'-P-C4' energy: -5.589 flat angles P-C4'-P energy: -3.512 tors. eta vs tors. theta energy: -2.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 247 Temperature: 1.300000 Total energy: -28.652201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.652201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.652201 (E_RNA) where: Base-Base interactions energy: -11.406 where: short stacking energy: -11.406 Base-Backbone interact. energy: -0.077 local terms energy: -17.169716 where: bonds (distance) C4'-P energy: -5.990 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -1.843 flat angles P-C4'-P energy: -0.301 tors. eta vs tors. theta energy: -2.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 247 Temperature: 1.350000 Total energy: -29.548828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.548828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.548828 (E_RNA) where: Base-Base interactions energy: -8.508 where: short stacking energy: -9.208 Base-Backbone interact. energy: -0.799 local terms energy: -20.241992 where: bonds (distance) C4'-P energy: -3.734 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -4.376 flat angles P-C4'-P energy: -4.941 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: 1, replica: 7 ===================================== Write number: 248 Temperature: 0.900000 Total energy: -41.884459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.884459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.884459 (E_RNA) where: Base-Base interactions energy: -15.542 where: short stacking energy: -15.542 Base-Backbone interact. energy: -0.000 local terms energy: -26.342411 where: bonds (distance) C4'-P energy: -6.577 bonds (distance) P-C4' energy: -6.442 flat angles C4'-P-C4' energy: -5.015 flat angles P-C4'-P energy: -2.712 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: 2, replica: 9 ===================================== Write number: 248 Temperature: 0.950000 Total energy: -41.676434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.676434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.676434 (E_RNA) where: Base-Base interactions energy: -14.366 where: short stacking energy: -14.366 Base-Backbone interact. energy: -0.000 local terms energy: -27.310859 where: bonds (distance) C4'-P energy: -6.147 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -5.851 flat angles P-C4'-P energy: -4.329 tors. eta vs tors. theta energy: -4.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 248 Temperature: 1.000000 Total energy: -38.407114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.407114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.407114 (E_RNA) where: Base-Base interactions energy: -14.719 where: short stacking energy: -14.719 Base-Backbone interact. energy: 0.373 local terms energy: -24.061409 where: bonds (distance) C4'-P energy: -5.112 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -3.625 flat angles P-C4'-P energy: -4.978 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: 6 ===================================== Write number: 248 Temperature: 1.050000 Total energy: -34.800642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.800642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.800642 (E_RNA) where: Base-Base interactions energy: -8.296 where: short stacking energy: -8.296 Base-Backbone interact. energy: -0.001 local terms energy: -26.503250 where: bonds (distance) C4'-P energy: -5.348 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -6.298 flat angles P-C4'-P energy: -4.352 tors. eta vs tors. theta energy: -3.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 248 Temperature: 1.100000 Total energy: -35.196400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.196400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.196400 (E_RNA) where: Base-Base interactions energy: -16.296 where: short stacking energy: -16.296 Base-Backbone interact. energy: -1.103 local terms energy: -17.797387 where: bonds (distance) C4'-P energy: -5.179 bonds (distance) P-C4' energy: -2.404 flat angles C4'-P-C4' energy: -2.831 flat angles P-C4'-P energy: -3.290 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: 6, replica: 1 ===================================== Write number: 248 Temperature: 1.150000 Total energy: -35.015248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.015248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.015248 (E_RNA) where: Base-Base interactions energy: -12.786 where: short stacking energy: -12.786 Base-Backbone interact. energy: -0.000 local terms energy: -22.228704 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -4.702 flat angles P-C4'-P energy: -4.178 tors. eta vs tors. theta energy: -0.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 248 Temperature: 1.200000 Total energy: -33.209899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.209899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.209899 (E_RNA) where: Base-Base interactions energy: -9.842 where: short stacking energy: -9.842 Base-Backbone interact. energy: -0.091 local terms energy: -23.276754 where: bonds (distance) C4'-P energy: -4.815 bonds (distance) P-C4' energy: -7.130 flat angles C4'-P-C4' energy: -5.765 flat angles P-C4'-P energy: -2.103 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: 8, replica: 10 ===================================== Write number: 248 Temperature: 1.250000 Total energy: -30.298176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.298176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.298176 (E_RNA) where: Base-Base interactions energy: -10.411 where: short stacking energy: -10.411 Base-Backbone interact. energy: -0.000 local terms energy: -19.887361 where: bonds (distance) C4'-P energy: -4.880 bonds (distance) P-C4' energy: -5.594 flat angles C4'-P-C4' energy: -6.103 flat angles P-C4'-P energy: -1.442 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: 9, replica: 2 ===================================== Write number: 248 Temperature: 1.300000 Total energy: -30.699793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.699793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.699793 (E_RNA) where: Base-Base interactions energy: -11.942 where: short stacking energy: -11.942 Base-Backbone interact. energy: -0.070 local terms energy: -18.687900 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -4.663 flat angles C4'-P-C4' energy: -4.413 flat angles P-C4'-P energy: -2.596 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: 8 ===================================== Write number: 248 Temperature: 1.350000 Total energy: -26.686214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.686214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.686214 (E_RNA) where: Base-Base interactions energy: -9.746 where: short stacking energy: -9.746 Base-Backbone interact. energy: -0.003 local terms energy: -16.937046 where: bonds (distance) C4'-P energy: -4.027 bonds (distance) P-C4' energy: -5.423 flat angles C4'-P-C4' energy: -3.987 flat angles P-C4'-P energy: -3.935 tors. eta vs tors. theta energy: 0.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 249 Temperature: 0.900000 Total energy: -38.390375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.390375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.390375 (E_RNA) where: Base-Base interactions energy: -17.009 where: short stacking energy: -17.009 Base-Backbone interact. energy: -0.037 local terms energy: -21.344224 where: bonds (distance) C4'-P energy: -5.580 bonds (distance) P-C4' energy: -3.109 flat angles C4'-P-C4' energy: -6.400 flat angles P-C4'-P energy: -3.473 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: 2, replica: 5 ===================================== Write number: 249 Temperature: 0.950000 Total energy: -31.305407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.305407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.305407 (E_RNA) where: Base-Base interactions energy: -9.261 where: short stacking energy: -9.261 Base-Backbone interact. energy: -0.001 local terms energy: -22.043311 where: bonds (distance) C4'-P energy: -4.515 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -4.174 flat angles P-C4'-P energy: -4.961 tors. eta vs tors. theta energy: -1.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 249 Temperature: 1.000000 Total energy: -36.027089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.027089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.027089 (E_RNA) where: Base-Base interactions energy: -11.366 where: short stacking energy: -11.366 Base-Backbone interact. energy: -0.004 local terms energy: -24.656865 where: bonds (distance) C4'-P energy: -5.580 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.684 flat angles P-C4'-P energy: -4.775 tors. eta vs tors. theta energy: -1.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 249 Temperature: 1.050000 Total energy: -35.478023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.478023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.478023 (E_RNA) where: Base-Base interactions energy: -14.160 where: short stacking energy: -14.160 Base-Backbone interact. energy: -0.047 local terms energy: -21.271342 where: bonds (distance) C4'-P energy: -5.241 bonds (distance) P-C4' energy: -4.653 flat angles C4'-P-C4' energy: -5.970 flat angles P-C4'-P energy: -3.519 tors. eta vs tors. theta energy: -1.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 249 Temperature: 1.100000 Total energy: -33.455959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.455959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.455959 (E_RNA) where: Base-Base interactions energy: -13.799 where: short stacking energy: -13.799 Base-Backbone interact. energy: -0.000 local terms energy: -19.656149 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -6.100 flat angles C4'-P-C4' energy: -3.884 flat angles P-C4'-P energy: -3.559 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: 6, replica: 3 ===================================== Write number: 249 Temperature: 1.150000 Total energy: -31.686686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.686686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.686686 (E_RNA) where: Base-Base interactions energy: -7.552 where: short stacking energy: -7.552 Base-Backbone interact. energy: 0.135 local terms energy: -24.269423 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -7.130 flat angles C4'-P-C4' energy: -5.055 flat angles P-C4'-P energy: -5.560 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: 7, replica: 1 ===================================== Write number: 249 Temperature: 1.200000 Total energy: -32.360593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.360593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.360593 (E_RNA) where: Base-Base interactions energy: -9.105 where: short stacking energy: -9.105 Base-Backbone interact. energy: 0.819 local terms energy: -24.075014 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -6.039 flat angles P-C4'-P energy: -4.380 tors. eta vs tors. theta energy: -1.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 249 Temperature: 1.250000 Total energy: -31.175000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.175000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.175000 (E_RNA) where: Base-Base interactions energy: -7.883 where: short stacking energy: -7.883 Base-Backbone interact. energy: -0.005 local terms energy: -23.287208 where: bonds (distance) C4'-P energy: -4.098 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -5.151 flat angles P-C4'-P energy: -4.343 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: 9, replica: 10 ===================================== Write number: 249 Temperature: 1.300000 Total energy: -31.992616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.992616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.992616 (E_RNA) where: Base-Base interactions energy: -9.591 where: short stacking energy: -9.591 Base-Backbone interact. energy: -0.001 local terms energy: -22.401564 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -3.252 flat angles C4'-P-C4' energy: -6.744 flat angles P-C4'-P energy: -3.485 tors. eta vs tors. theta energy: -2.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 249 Temperature: 1.350000 Total energy: -29.752424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.752424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.752424 (E_RNA) where: Base-Base interactions energy: -7.856 where: short stacking energy: -7.856 Base-Backbone interact. energy: -0.000 local terms energy: -21.896263 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -3.140 flat angles P-C4'-P energy: -2.072 tors. eta vs tors. theta energy: -4.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 250 Temperature: 0.900000 Total energy: -35.971416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.971416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.971416 (E_RNA) where: Base-Base interactions energy: -14.887 where: short stacking energy: -14.887 Base-Backbone interact. energy: -0.065 local terms energy: -21.019279 where: bonds (distance) C4'-P energy: -4.647 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -6.484 flat angles P-C4'-P energy: -0.110 tors. eta vs tors. theta energy: -2.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 250 Temperature: 0.950000 Total energy: -42.608552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.608552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.608552 (E_RNA) where: Base-Base interactions energy: -14.443 where: short stacking energy: -14.443 Base-Backbone interact. energy: -0.000 local terms energy: -28.165493 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -6.457 flat angles C4'-P-C4' energy: -5.619 flat angles P-C4'-P energy: -4.352 tors. eta vs tors. theta energy: -5.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 250 Temperature: 1.000000 Total energy: -36.606759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.606759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.606759 (E_RNA) where: Base-Base interactions energy: -13.372 where: short stacking energy: -13.372 Base-Backbone interact. energy: -0.003 local terms energy: -23.232223 where: bonds (distance) C4'-P energy: -2.508 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -6.114 flat angles P-C4'-P energy: -3.677 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: 4, replica: 4 ===================================== Write number: 250 Temperature: 1.050000 Total energy: -36.487597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.487597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.487597 (E_RNA) where: Base-Base interactions energy: -15.259 where: short stacking energy: -15.259 Base-Backbone interact. energy: -0.004 local terms energy: -21.224573 where: bonds (distance) C4'-P energy: -4.081 bonds (distance) P-C4' energy: -5.730 flat angles C4'-P-C4' energy: -4.440 flat angles P-C4'-P energy: -3.201 tors. eta vs tors. theta energy: -3.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 250 Temperature: 1.100000 Total energy: -32.643948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.643948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.643948 (E_RNA) where: Base-Base interactions energy: -12.341 where: short stacking energy: -12.341 Base-Backbone interact. energy: -0.010 local terms energy: -20.293420 where: bonds (distance) C4'-P energy: -5.766 bonds (distance) P-C4' energy: -5.712 flat angles C4'-P-C4' energy: -4.939 flat angles P-C4'-P energy: -2.294 tors. eta vs tors. theta energy: -1.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 250 Temperature: 1.150000 Total energy: -32.608617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.608617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.608617 (E_RNA) where: Base-Base interactions energy: -10.687 where: short stacking energy: -10.687 Base-Backbone interact. energy: -0.096 local terms energy: -21.826208 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -4.402 flat angles C4'-P-C4' energy: -5.236 flat angles P-C4'-P energy: -3.276 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: 7, replica: 2 ===================================== Write number: 250 Temperature: 1.200000 Total energy: -35.049484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.049484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.049484 (E_RNA) where: Base-Base interactions energy: -16.993 where: short stacking energy: -16.993 Base-Backbone interact. energy: -0.023 local terms energy: -18.033537 where: bonds (distance) C4'-P energy: -5.306 bonds (distance) P-C4' energy: -4.230 flat angles C4'-P-C4' energy: -5.182 flat angles P-C4'-P energy: -3.372 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: 8, replica: 1 ===================================== Write number: 250 Temperature: 1.250000 Total energy: -33.600714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.600714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.600714 (E_RNA) where: Base-Base interactions energy: -12.898 where: short stacking energy: -12.898 Base-Backbone interact. energy: -0.007 local terms energy: -20.696345 where: bonds (distance) C4'-P energy: -5.075 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -5.556 flat angles P-C4'-P energy: -1.962 tors. eta vs tors. theta energy: -0.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 250 Temperature: 1.300000 Total energy: -29.845825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.845825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.845825 (E_RNA) where: Base-Base interactions energy: -9.210 where: short stacking energy: -9.210 Base-Backbone interact. energy: -0.000 local terms energy: -20.636129 where: bonds (distance) C4'-P energy: -2.942 bonds (distance) P-C4' energy: -5.839 flat angles C4'-P-C4' energy: -6.156 flat angles P-C4'-P energy: -2.123 tors. eta vs tors. theta energy: -3.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 250 Temperature: 1.350000 Total energy: -30.610632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.610632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.610632 (E_RNA) where: Base-Base interactions energy: -9.644 where: short stacking energy: -9.644 Base-Backbone interact. energy: -0.039 local terms energy: -20.927422 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -3.241 flat angles P-C4'-P energy: -4.984 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: 1, replica: 5 ===================================== Write number: 251 Temperature: 0.900000 Total energy: -40.330407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.330407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.330407 (E_RNA) where: Base-Base interactions energy: -17.604 where: short stacking energy: -17.604 Base-Backbone interact. energy: -0.000 local terms energy: -22.726042 where: bonds (distance) C4'-P energy: -2.499 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -5.327 flat angles P-C4'-P energy: -4.058 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: 2, replica: 9 ===================================== Write number: 251 Temperature: 0.950000 Total energy: -39.416345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.416345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.416345 (E_RNA) where: Base-Base interactions energy: -13.089 where: short stacking energy: -13.089 Base-Backbone interact. energy: -0.000 local terms energy: -26.327345 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -6.177 flat angles C4'-P-C4' energy: -5.165 flat angles P-C4'-P energy: -4.949 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: 3, replica: 7 ===================================== Write number: 251 Temperature: 1.000000 Total energy: -38.051973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.051973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.051973 (E_RNA) where: Base-Base interactions energy: -11.722 where: short stacking energy: -11.722 Base-Backbone interact. energy: -0.000 local terms energy: -26.330151 where: bonds (distance) C4'-P energy: -5.013 bonds (distance) P-C4' energy: -7.144 flat angles C4'-P-C4' energy: -5.975 flat angles P-C4'-P energy: -4.539 tors. eta vs tors. theta energy: -3.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 251 Temperature: 1.050000 Total energy: -38.982542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.982542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.982542 (E_RNA) where: Base-Base interactions energy: -13.031 where: short stacking energy: -13.031 Base-Backbone interact. energy: -0.000 local terms energy: -25.951535 where: bonds (distance) C4'-P energy: -4.554 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -6.156 flat angles P-C4'-P energy: -4.254 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: 251 Temperature: 1.100000 Total energy: -35.936478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.936478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.936478 (E_RNA) where: Base-Base interactions energy: -10.406 where: short stacking energy: -10.406 Base-Backbone interact. energy: -0.067 local terms energy: -25.462979 where: bonds (distance) C4'-P energy: -5.091 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -5.318 flat angles P-C4'-P energy: -3.619 tors. eta vs tors. theta energy: -5.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 251 Temperature: 1.150000 Total energy: -27.393728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.393728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.393728 (E_RNA) where: Base-Base interactions energy: -6.905 where: short stacking energy: -5.583 Base-Backbone interact. energy: -0.008 local terms energy: -20.480558 where: bonds (distance) C4'-P energy: -4.975 bonds (distance) P-C4' energy: -6.227 flat angles C4'-P-C4' energy: -5.237 flat angles P-C4'-P energy: -2.440 tors. eta vs tors. theta energy: -1.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 251 Temperature: 1.200000 Total energy: -29.007411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.007411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.007411 (E_RNA) where: Base-Base interactions energy: -6.371 where: short stacking energy: -6.371 Base-Backbone interact. energy: -0.183 local terms energy: -22.453501 where: bonds (distance) C4'-P energy: -4.126 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -3.594 flat angles P-C4'-P energy: -4.431 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: 8, replica: 8 ===================================== Write number: 251 Temperature: 1.250000 Total energy: -32.091988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.091988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.091988 (E_RNA) where: Base-Base interactions energy: -8.535 where: short stacking energy: -8.535 Base-Backbone interact. energy: -0.511 local terms energy: -23.046221 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -3.530 flat angles P-C4'-P energy: -3.891 tors. eta vs tors. theta energy: -2.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 251 Temperature: 1.300000 Total energy: -32.058638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.058638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.058638 (E_RNA) where: Base-Base interactions energy: -11.668 where: short stacking energy: -11.668 Base-Backbone interact. energy: -0.012 local terms energy: -20.378543 where: bonds (distance) C4'-P energy: -3.833 bonds (distance) P-C4' energy: -5.135 flat angles C4'-P-C4' energy: -5.066 flat angles P-C4'-P energy: -4.244 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: 10, replica: 10 ===================================== Write number: 251 Temperature: 1.350000 Total energy: -30.857897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.857897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.857897 (E_RNA) where: Base-Base interactions energy: -8.457 where: short stacking energy: -8.457 Base-Backbone interact. energy: -0.054 local terms energy: -22.347293 where: bonds (distance) C4'-P energy: -3.138 bonds (distance) P-C4' energy: -6.678 flat angles C4'-P-C4' energy: -5.743 flat angles P-C4'-P energy: -4.703 tors. eta vs tors. theta energy: -2.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 252 Temperature: 0.900000 Total energy: -38.470448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.470448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.470448 (E_RNA) where: Base-Base interactions energy: -12.713 where: short stacking energy: -12.713 Base-Backbone interact. energy: -0.067 local terms energy: -25.690994 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -6.762 flat angles P-C4'-P energy: -4.075 tors. eta vs tors. theta energy: -2.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 252 Temperature: 0.950000 Total energy: -38.909670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.909670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.909670 (E_RNA) where: Base-Base interactions energy: -16.814 where: short stacking energy: -16.814 Base-Backbone interact. energy: -0.010 local terms energy: -22.085716 where: bonds (distance) C4'-P energy: -4.967 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -5.345 flat angles P-C4'-P energy: -0.256 tors. eta vs tors. theta energy: -4.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 252 Temperature: 1.000000 Total energy: -36.937980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.937980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.937980 (E_RNA) where: Base-Base interactions energy: -11.141 where: short stacking energy: -11.141 Base-Backbone interact. energy: -0.001 local terms energy: -25.796596 where: bonds (distance) C4'-P energy: -3.982 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -4.721 flat angles P-C4'-P energy: -4.937 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: 4, replica: 4 ===================================== Write number: 252 Temperature: 1.050000 Total energy: -36.028379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.028379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.028379 (E_RNA) where: Base-Base interactions energy: -12.426 where: short stacking energy: -12.426 Base-Backbone interact. energy: -0.000 local terms energy: -23.601801 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -6.128 flat angles C4'-P-C4' energy: -5.955 flat angles P-C4'-P energy: -2.256 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: 2 ===================================== Write number: 252 Temperature: 1.100000 Total energy: -34.006015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.006015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.006015 (E_RNA) where: Base-Base interactions energy: -8.666 where: short stacking energy: -8.666 Base-Backbone interact. energy: -0.008 local terms energy: -25.332804 where: bonds (distance) C4'-P energy: -5.783 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.393 flat angles P-C4'-P energy: -5.259 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: 6, replica: 3 ===================================== Write number: 252 Temperature: 1.150000 Total energy: -34.072257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.072257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.072257 (E_RNA) where: Base-Base interactions energy: -12.941 where: short stacking energy: -12.941 Base-Backbone interact. energy: -0.000 local terms energy: -21.131035 where: bonds (distance) C4'-P energy: -6.354 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -2.221 flat angles P-C4'-P energy: -4.878 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: 8 ===================================== Write number: 252 Temperature: 1.200000 Total energy: -33.524624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.524624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.524624 (E_RNA) where: Base-Base interactions energy: -14.155 where: short stacking energy: -14.155 Base-Backbone interact. energy: -0.082 local terms energy: -19.288063 where: bonds (distance) C4'-P energy: -3.975 bonds (distance) P-C4' energy: -3.199 flat angles C4'-P-C4' energy: -3.851 flat angles P-C4'-P energy: -3.717 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: 8, replica: 6 ===================================== Write number: 252 Temperature: 1.250000 Total energy: -29.286782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.286782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.286782 (E_RNA) where: Base-Base interactions energy: -9.582 where: short stacking energy: -9.582 Base-Backbone interact. energy: -0.011 local terms energy: -19.694459 where: bonds (distance) C4'-P energy: -5.109 bonds (distance) P-C4' energy: -5.131 flat angles C4'-P-C4' energy: -5.597 flat angles P-C4'-P energy: -3.765 tors. eta vs tors. theta energy: -0.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 252 Temperature: 1.300000 Total energy: -30.958604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.958604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.958604 (E_RNA) where: Base-Base interactions energy: -12.419 where: short stacking energy: -12.419 Base-Backbone interact. energy: -0.081 local terms energy: -18.458351 where: bonds (distance) C4'-P energy: -4.417 bonds (distance) P-C4' energy: -4.649 flat angles C4'-P-C4' energy: -5.335 flat angles P-C4'-P energy: -4.851 tors. eta vs tors. theta energy: 0.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 252 Temperature: 1.350000 Total energy: -37.557628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.557628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.557628 (E_RNA) where: Base-Base interactions energy: -14.199 where: short stacking energy: -14.199 Base-Backbone interact. energy: -0.001 local terms energy: -23.357286 where: bonds (distance) C4'-P energy: -5.017 bonds (distance) P-C4' energy: -4.758 flat angles C4'-P-C4' energy: -4.673 flat angles P-C4'-P energy: -4.796 tors. eta vs tors. theta energy: -4.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 253 Temperature: 0.900000 Total energy: -45.647415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.647415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.647415 (E_RNA) where: Base-Base interactions energy: -16.849 where: short stacking energy: -17.149 Base-Backbone interact. energy: -0.000 local terms energy: -28.798192 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -5.926 flat angles P-C4'-P energy: -4.840 tors. eta vs tors. theta energy: -5.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 253 Temperature: 0.950000 Total energy: -38.245617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.245617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.245617 (E_RNA) where: Base-Base interactions energy: -14.713 where: short stacking energy: -14.713 Base-Backbone interact. energy: -0.000 local terms energy: -23.532523 where: bonds (distance) C4'-P energy: -4.686 bonds (distance) P-C4' energy: -5.868 flat angles C4'-P-C4' energy: -4.436 flat angles P-C4'-P energy: -4.297 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: 3, replica: 5 ===================================== Write number: 253 Temperature: 1.000000 Total energy: -34.139602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.139602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.139602 (E_RNA) where: Base-Base interactions energy: -9.501 where: short stacking energy: -9.501 Base-Backbone interact. energy: -0.006 local terms energy: -24.632941 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -7.144 flat angles C4'-P-C4' energy: -4.791 flat angles P-C4'-P energy: -4.415 tors. eta vs tors. theta energy: -2.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 253 Temperature: 1.050000 Total energy: -34.700213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.700213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.700213 (E_RNA) where: Base-Base interactions energy: -15.148 where: short stacking energy: -15.148 Base-Backbone interact. energy: -0.076 local terms energy: -19.475726 where: bonds (distance) C4'-P energy: -5.688 bonds (distance) P-C4' energy: -3.144 flat angles C4'-P-C4' energy: -5.545 flat angles P-C4'-P energy: -2.567 tors. eta vs tors. theta energy: -2.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 253 Temperature: 1.100000 Total energy: -33.528827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.528827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.528827 (E_RNA) where: Base-Base interactions energy: -13.911 where: short stacking energy: -13.911 Base-Backbone interact. energy: -0.003 local terms energy: -19.615403 where: bonds (distance) C4'-P energy: -4.631 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -4.777 flat angles P-C4'-P energy: -3.121 tors. eta vs tors. theta energy: -0.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 253 Temperature: 1.150000 Total energy: -33.729065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.729065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.729065 (E_RNA) where: Base-Base interactions energy: -11.055 where: short stacking energy: -11.055 Base-Backbone interact. energy: -0.017 local terms energy: -22.656717 where: bonds (distance) C4'-P energy: -5.285 bonds (distance) P-C4' energy: -5.113 flat angles C4'-P-C4' energy: -5.976 flat angles P-C4'-P energy: -3.313 tors. eta vs tors. theta energy: -2.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 253 Temperature: 1.200000 Total energy: -29.442033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.442033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.442033 (E_RNA) where: Base-Base interactions energy: -7.652 where: short stacking energy: -7.652 Base-Backbone interact. energy: -0.063 local terms energy: -21.727160 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -5.205 flat angles P-C4'-P energy: -3.955 tors. eta vs tors. theta energy: -0.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 253 Temperature: 1.250000 Total energy: -36.588907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.588907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.588907 (E_RNA) where: Base-Base interactions energy: -12.003 where: short stacking energy: -12.003 Base-Backbone interact. energy: -0.002 local terms energy: -24.583487 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -4.972 flat angles P-C4'-P energy: -3.320 tors. eta vs tors. theta energy: -4.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 253 Temperature: 1.300000 Total energy: -35.698773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.698773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.698773 (E_RNA) where: Base-Base interactions energy: -10.994 where: short stacking energy: -10.994 Base-Backbone interact. energy: -0.000 local terms energy: -24.704311 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -6.355 flat angles C4'-P-C4' energy: -5.853 flat angles P-C4'-P energy: -2.857 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: 10, replica: 1 ===================================== Write number: 253 Temperature: 1.350000 Total energy: -31.582119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.582119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.582119 (E_RNA) where: Base-Base interactions energy: -7.805 where: short stacking energy: -7.805 Base-Backbone interact. energy: -0.000 local terms energy: -23.776895 where: bonds (distance) C4'-P energy: -5.580 bonds (distance) P-C4' energy: -7.144 flat angles C4'-P-C4' energy: -5.484 flat angles P-C4'-P energy: -4.597 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: 1, replica: 7 ===================================== Write number: 254 Temperature: 0.900000 Total energy: -41.530899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.530899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.530899 (E_RNA) where: Base-Base interactions energy: -13.590 where: short stacking energy: -13.590 Base-Backbone interact. energy: -0.166 local terms energy: -27.774958 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -6.304 flat angles P-C4'-P energy: -4.985 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: 2, replica: 9 ===================================== Write number: 254 Temperature: 0.950000 Total energy: -42.187034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.187034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.187034 (E_RNA) where: Base-Base interactions energy: -15.595 where: short stacking energy: -15.595 Base-Backbone interact. energy: -0.003 local terms energy: -26.589960 where: bonds (distance) C4'-P energy: -4.462 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -6.446 flat angles P-C4'-P energy: -4.333 tors. eta vs tors. theta energy: -4.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 254 Temperature: 1.000000 Total energy: -30.263642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.263642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.263642 (E_RNA) where: Base-Base interactions energy: -7.074 where: short stacking energy: -7.074 Base-Backbone interact. energy: -0.043 local terms energy: -23.145786 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -6.653 flat angles C4'-P-C4' energy: -5.427 flat angles P-C4'-P energy: -3.958 tors. eta vs tors. theta energy: -1.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 254 Temperature: 1.050000 Total energy: -35.551736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.551736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.551736 (E_RNA) where: Base-Base interactions energy: -12.520 where: short stacking energy: -12.520 Base-Backbone interact. energy: -0.051 local terms energy: -22.980633 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -5.826 flat angles C4'-P-C4' energy: -5.728 flat angles P-C4'-P energy: -4.928 tors. eta vs tors. theta energy: -1.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 254 Temperature: 1.100000 Total energy: -36.874461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.874461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.874461 (E_RNA) where: Base-Base interactions energy: -15.667 where: short stacking energy: -15.667 Base-Backbone interact. energy: -0.001 local terms energy: -21.206511 where: bonds (distance) C4'-P energy: -4.835 bonds (distance) P-C4' energy: -5.427 flat angles C4'-P-C4' energy: -5.427 flat angles P-C4'-P energy: -4.109 tors. eta vs tors. theta energy: -1.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 254 Temperature: 1.150000 Total energy: -31.336794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.336794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.336794 (E_RNA) where: Base-Base interactions energy: -11.789 where: short stacking energy: -11.789 Base-Backbone interact. energy: -0.095 local terms energy: -19.452894 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -5.699 flat angles C4'-P-C4' energy: -4.892 flat angles P-C4'-P energy: -2.185 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: 7, replica: 3 ===================================== Write number: 254 Temperature: 1.200000 Total energy: -36.772770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.772770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.772770 (E_RNA) where: Base-Base interactions energy: -10.602 where: short stacking energy: -10.602 Base-Backbone interact. energy: -0.000 local terms energy: -26.171235 where: bonds (distance) C4'-P energy: -4.053 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -5.277 flat angles P-C4'-P energy: -2.956 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: 8, replica: 10 ===================================== Write number: 254 Temperature: 1.250000 Total energy: -31.776509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.776509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.776509 (E_RNA) where: Base-Base interactions energy: -6.824 where: short stacking energy: -6.824 Base-Backbone interact. energy: -0.026 local terms energy: -24.926008 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.358 flat angles C4'-P-C4' energy: -5.236 flat angles P-C4'-P energy: -4.443 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: 1 ===================================== Write number: 254 Temperature: 1.300000 Total energy: -28.736209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.736209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.736209 (E_RNA) where: Base-Base interactions energy: -9.438 where: short stacking energy: -9.438 Base-Backbone interact. energy: -0.020 local terms energy: -19.278590 where: bonds (distance) C4'-P energy: -6.060 bonds (distance) P-C4' energy: -3.265 flat angles C4'-P-C4' energy: -5.853 flat angles P-C4'-P energy: -3.338 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: 10, replica: 6 ===================================== Write number: 254 Temperature: 1.350000 Total energy: -29.578974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.578974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.578974 (E_RNA) where: Base-Base interactions energy: -8.770 where: short stacking energy: -8.770 Base-Backbone interact. energy: -0.001 local terms energy: -20.808253 where: bonds (distance) C4'-P energy: -4.843 bonds (distance) P-C4' energy: -5.941 flat angles C4'-P-C4' energy: -4.039 flat angles P-C4'-P energy: -1.743 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: 1, replica: 7 ===================================== Write number: 255 Temperature: 0.900000 Total energy: -40.129087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.129087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.129087 (E_RNA) where: Base-Base interactions energy: -14.510 where: short stacking energy: -14.510 Base-Backbone interact. energy: -0.023 local terms energy: -25.595188 where: bonds (distance) C4'-P energy: -5.233 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -6.292 flat angles P-C4'-P energy: -4.290 tors. eta vs tors. theta energy: -2.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 255 Temperature: 0.950000 Total energy: -39.389982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.389982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.389982 (E_RNA) where: Base-Base interactions energy: -12.671 where: short stacking energy: -12.671 Base-Backbone interact. energy: -0.000 local terms energy: -26.719194 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -6.081 flat angles P-C4'-P energy: -3.874 tors. eta vs tors. theta energy: -4.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 255 Temperature: 1.000000 Total energy: -41.135749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.135749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.135749 (E_RNA) where: Base-Base interactions energy: -14.926 where: short stacking energy: -14.926 Base-Backbone interact. energy: -0.000 local terms energy: -26.209633 where: bonds (distance) C4'-P energy: -4.747 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -5.547 flat angles P-C4'-P energy: -4.303 tors. eta vs tors. theta energy: -5.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 255 Temperature: 1.050000 Total energy: -36.289912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.289912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.289912 (E_RNA) where: Base-Base interactions energy: -13.922 where: short stacking energy: -13.922 Base-Backbone interact. energy: -0.008 local terms energy: -22.359863 where: bonds (distance) C4'-P energy: -4.864 bonds (distance) P-C4' energy: -6.615 flat angles C4'-P-C4' energy: -5.945 flat angles P-C4'-P energy: -1.938 tors. eta vs tors. theta energy: -2.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 255 Temperature: 1.100000 Total energy: -40.350908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.350908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.350908 (E_RNA) where: Base-Base interactions energy: -14.887 where: short stacking energy: -14.887 Base-Backbone interact. energy: -0.000 local terms energy: -25.464010 where: bonds (distance) C4'-P energy: -4.967 bonds (distance) P-C4' energy: -6.189 flat angles C4'-P-C4' energy: -3.898 flat angles P-C4'-P energy: -4.345 tors. eta vs tors. theta energy: -6.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 255 Temperature: 1.150000 Total energy: -33.372773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.372773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.372773 (E_RNA) where: Base-Base interactions energy: -9.838 where: short stacking energy: -9.838 Base-Backbone interact. energy: -0.001 local terms energy: -23.534359 where: bonds (distance) C4'-P energy: -5.837 bonds (distance) P-C4' energy: -5.886 flat angles C4'-P-C4' energy: -6.082 flat angles P-C4'-P energy: -5.112 tors. eta vs tors. theta energy: -0.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 255 Temperature: 1.200000 Total energy: -32.432699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.432699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.432699 (E_RNA) where: Base-Base interactions energy: -6.704 where: short stacking energy: -6.704 Base-Backbone interact. energy: -0.001 local terms energy: -25.728223 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -6.460 flat angles C4'-P-C4' energy: -6.436 flat angles P-C4'-P energy: -4.401 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: 8, replica: 1 ===================================== Write number: 255 Temperature: 1.250000 Total energy: -30.129658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.129658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.129658 (E_RNA) where: Base-Base interactions energy: -11.876 where: short stacking energy: -11.876 Base-Backbone interact. energy: -0.002 local terms energy: -18.251997 where: bonds (distance) C4'-P energy: -5.501 bonds (distance) P-C4' energy: -4.445 flat angles C4'-P-C4' energy: -4.196 flat angles P-C4'-P energy: -2.253 tors. eta vs tors. theta energy: -1.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 255 Temperature: 1.300000 Total energy: -33.384312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.384312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.384312 (E_RNA) where: Base-Base interactions energy: -13.978 where: short stacking energy: -13.978 Base-Backbone interact. energy: -0.001 local terms energy: -19.405773 where: bonds (distance) C4'-P energy: -2.512 bonds (distance) P-C4' energy: -4.870 flat angles C4'-P-C4' energy: -6.100 flat angles P-C4'-P energy: -3.164 tors. eta vs tors. theta energy: -2.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 255 Temperature: 1.350000 Total energy: -29.715682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.715682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.715682 (E_RNA) where: Base-Base interactions energy: -10.379 where: short stacking energy: -10.379 Base-Backbone interact. energy: -0.022 local terms energy: -19.314766 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -3.032 flat angles P-C4'-P energy: -3.511 tors. eta vs tors. theta energy: -1.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 256 Temperature: 0.900000 Total energy: -35.240281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.240281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.240281 (E_RNA) where: Base-Base interactions energy: -8.568 where: short stacking energy: -8.568 Base-Backbone interact. energy: -0.010 local terms energy: -26.663012 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.156 flat angles C4'-P-C4' energy: -5.920 flat angles P-C4'-P energy: -4.812 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: 2, replica: 7 ===================================== Write number: 256 Temperature: 0.950000 Total energy: -40.280497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.280497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.280497 (E_RNA) where: Base-Base interactions energy: -15.865 where: short stacking energy: -15.865 Base-Backbone interact. energy: -0.000 local terms energy: -24.415100 where: bonds (distance) C4'-P energy: -5.402 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -6.431 flat angles P-C4'-P energy: -3.809 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: 3, replica: 8 ===================================== Write number: 256 Temperature: 1.000000 Total energy: -42.192736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.192736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.192736 (E_RNA) where: Base-Base interactions energy: -17.218 where: short stacking energy: -17.218 Base-Backbone interact. energy: 0.405 local terms energy: -25.379526 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -5.460 flat angles P-C4'-P energy: -2.995 tors. eta vs tors. theta energy: -5.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 256 Temperature: 1.050000 Total energy: -30.813513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.813513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.813513 (E_RNA) where: Base-Base interactions energy: -13.574 where: short stacking energy: -13.574 Base-Backbone interact. energy: -0.100 local terms energy: -17.139909 where: bonds (distance) C4'-P energy: -4.569 bonds (distance) P-C4' energy: -5.279 flat angles C4'-P-C4' energy: -2.427 flat angles P-C4'-P energy: -4.604 tors. eta vs tors. theta energy: -0.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 256 Temperature: 1.100000 Total energy: -32.334893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.334893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.334893 (E_RNA) where: Base-Base interactions energy: -12.785 where: short stacking energy: -12.785 Base-Backbone interact. energy: -0.000 local terms energy: -19.550015 where: bonds (distance) C4'-P energy: -4.905 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -3.187 flat angles P-C4'-P energy: -2.838 tors. eta vs tors. theta energy: -1.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 256 Temperature: 1.150000 Total energy: -34.080441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.080441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.080441 (E_RNA) where: Base-Base interactions energy: -12.362 where: short stacking energy: -12.362 Base-Backbone interact. energy: 0.609 local terms energy: -22.327018 where: bonds (distance) C4'-P energy: -4.703 bonds (distance) P-C4' energy: -6.389 flat angles C4'-P-C4' energy: -6.063 flat angles P-C4'-P energy: -2.849 tors. eta vs tors. theta energy: -2.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 256 Temperature: 1.200000 Total energy: -34.366713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.366713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.366713 (E_RNA) where: Base-Base interactions energy: -12.716 where: short stacking energy: -12.716 Base-Backbone interact. energy: -0.001 local terms energy: -21.649668 where: bonds (distance) C4'-P energy: -5.261 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -4.053 flat angles P-C4'-P energy: -1.095 tors. eta vs tors. theta energy: -5.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 256 Temperature: 1.250000 Total energy: -29.560733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.560733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.560733 (E_RNA) where: Base-Base interactions energy: -10.778 where: short stacking energy: -10.778 Base-Backbone interact. energy: -0.070 local terms energy: -18.712298 where: bonds (distance) C4'-P energy: -4.205 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -5.800 flat angles P-C4'-P energy: -2.529 tors. eta vs tors. theta energy: 0.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 256 Temperature: 1.300000 Total energy: -35.737060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.737060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.737060 (E_RNA) where: Base-Base interactions energy: -12.036 where: short stacking energy: -12.036 Base-Backbone interact. energy: -0.002 local terms energy: -23.698866 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.312 flat angles P-C4'-P energy: -3.002 tors. eta vs tors. theta energy: -2.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 256 Temperature: 1.350000 Total energy: -28.544512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.544512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.544512 (E_RNA) where: Base-Base interactions energy: -5.085 where: short stacking energy: -5.085 Base-Backbone interact. energy: -0.150 local terms energy: -23.309881 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -6.259 flat angles P-C4'-P energy: -2.466 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: 1, replica: 2 ===================================== Write number: 257 Temperature: 0.900000 Total energy: -38.837929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.837929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.837929 (E_RNA) where: Base-Base interactions energy: -15.493 where: short stacking energy: -15.493 Base-Backbone interact. energy: -0.000 local terms energy: -23.345233 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -6.184 flat angles C4'-P-C4' energy: -6.216 flat angles P-C4'-P energy: -2.598 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: 2, replica: 8 ===================================== Write number: 257 Temperature: 0.950000 Total energy: -32.908903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.908903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.908903 (E_RNA) where: Base-Base interactions energy: -8.721 where: short stacking energy: -8.721 Base-Backbone interact. energy: -0.030 local terms energy: -24.157589 where: bonds (distance) C4'-P energy: -5.721 bonds (distance) P-C4' energy: -6.918 flat angles C4'-P-C4' energy: -6.086 flat angles P-C4'-P energy: -4.476 tors. eta vs tors. theta energy: -0.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 257 Temperature: 1.000000 Total energy: -40.756169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.756169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.756169 (E_RNA) where: Base-Base interactions energy: -15.819 where: short stacking energy: -15.819 Base-Backbone interact. energy: -0.001 local terms energy: -24.936510 where: bonds (distance) C4'-P energy: -3.654 bonds (distance) P-C4' energy: -5.864 flat angles C4'-P-C4' energy: -6.587 flat angles P-C4'-P energy: -4.309 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: 3 ===================================== Write number: 257 Temperature: 1.050000 Total energy: -32.918659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.918659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.918659 (E_RNA) where: Base-Base interactions energy: -10.016 where: short stacking energy: -10.016 Base-Backbone interact. energy: -0.000 local terms energy: -22.902794 where: bonds (distance) C4'-P energy: -4.267 bonds (distance) P-C4' energy: -5.653 flat angles C4'-P-C4' energy: -5.316 flat angles P-C4'-P energy: -4.533 tors. eta vs tors. theta energy: -3.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 257 Temperature: 1.100000 Total energy: -31.396690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.396690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.396690 (E_RNA) where: Base-Base interactions energy: -10.449 where: short stacking energy: -10.449 Base-Backbone interact. energy: -0.012 local terms energy: -20.935788 where: bonds (distance) C4'-P energy: -6.354 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -5.277 flat angles P-C4'-P energy: -1.294 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: 1 ===================================== Write number: 257 Temperature: 1.150000 Total energy: -39.786863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.786863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.786863 (E_RNA) where: Base-Base interactions energy: -13.340 where: short stacking energy: -13.340 Base-Backbone interact. energy: -0.000 local terms energy: -26.446599 where: bonds (distance) C4'-P energy: -4.983 bonds (distance) P-C4' energy: -5.966 flat angles C4'-P-C4' energy: -6.311 flat angles P-C4'-P energy: -4.891 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: 5 ===================================== Write number: 257 Temperature: 1.200000 Total energy: -30.546839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.546839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.546839 (E_RNA) where: Base-Base interactions energy: -9.765 where: short stacking energy: -9.765 Base-Backbone interact. energy: -0.094 local terms energy: -20.686919 where: bonds (distance) C4'-P energy: -5.589 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -3.920 flat angles P-C4'-P energy: -3.474 tors. eta vs tors. theta energy: -0.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 257 Temperature: 1.250000 Total energy: -32.410643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.410643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.410643 (E_RNA) where: Base-Base interactions energy: -10.519 where: short stacking energy: -10.519 Base-Backbone interact. energy: -0.004 local terms energy: -21.887873 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -5.112 flat angles P-C4'-P energy: -1.938 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: 9, replica: 4 ===================================== Write number: 257 Temperature: 1.300000 Total energy: -32.723210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.723210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.723210 (E_RNA) where: Base-Base interactions energy: -7.999 where: short stacking energy: -7.999 Base-Backbone interact. energy: -0.000 local terms energy: -24.724619 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -4.912 flat angles P-C4'-P energy: -4.037 tors. eta vs tors. theta energy: -3.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 257 Temperature: 1.350000 Total energy: -31.674527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.674527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.674527 (E_RNA) where: Base-Base interactions energy: -10.363 where: short stacking energy: -10.363 Base-Backbone interact. energy: -0.000 local terms energy: -21.311164 where: bonds (distance) C4'-P energy: -3.096 bonds (distance) P-C4' energy: -6.622 flat angles C4'-P-C4' energy: -5.553 flat angles P-C4'-P energy: -3.055 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: 1, replica: 8 ===================================== Write number: 258 Temperature: 0.900000 Total energy: -36.040571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.040571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.040571 (E_RNA) where: Base-Base interactions energy: -12.575 where: short stacking energy: -12.575 Base-Backbone interact. energy: -0.000 local terms energy: -23.465084 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -5.298 flat angles C4'-P-C4' energy: -4.780 flat angles P-C4'-P energy: -4.851 tors. eta vs tors. theta energy: -2.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 258 Temperature: 0.950000 Total energy: -32.357498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.357498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.357498 (E_RNA) where: Base-Base interactions energy: -8.717 where: short stacking energy: -8.717 Base-Backbone interact. energy: -0.117 local terms energy: -23.523736 where: bonds (distance) C4'-P energy: -5.600 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -5.501 flat angles P-C4'-P energy: -5.175 tors. eta vs tors. theta energy: -1.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 258 Temperature: 1.000000 Total energy: -36.200911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.200911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.200911 (E_RNA) where: Base-Base interactions energy: -11.940 where: short stacking energy: -11.940 Base-Backbone interact. energy: -0.000 local terms energy: -24.260387 where: bonds (distance) C4'-P energy: -6.462 bonds (distance) P-C4' energy: -5.304 flat angles C4'-P-C4' energy: -6.412 flat angles P-C4'-P energy: -4.252 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: 4, replica: 3 ===================================== Write number: 258 Temperature: 1.050000 Total energy: -34.490242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.490242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.490242 (E_RNA) where: Base-Base interactions energy: -10.323 where: short stacking energy: -10.323 Base-Backbone interact. energy: -0.000 local terms energy: -24.167401 where: bonds (distance) C4'-P energy: -4.913 bonds (distance) P-C4' energy: -6.438 flat angles C4'-P-C4' energy: -6.398 flat angles P-C4'-P energy: -4.481 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: 5, replica: 1 ===================================== Write number: 258 Temperature: 1.100000 Total energy: -34.786247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.786247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.786247 (E_RNA) where: Base-Base interactions energy: -11.819 where: short stacking energy: -11.819 Base-Backbone interact. energy: -0.000 local terms energy: -22.967053 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -5.607 flat angles C4'-P-C4' energy: -4.216 flat angles P-C4'-P energy: -4.342 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: 6, replica: 9 ===================================== Write number: 258 Temperature: 1.150000 Total energy: -29.808910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.808910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.808910 (E_RNA) where: Base-Base interactions energy: -9.767 where: short stacking energy: -9.767 Base-Backbone interact. energy: -0.000 local terms energy: -20.041423 where: bonds (distance) C4'-P energy: -4.727 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -2.398 flat angles P-C4'-P energy: -3.562 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: 7, replica: 10 ===================================== Write number: 258 Temperature: 1.200000 Total energy: -32.442642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.442642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.442642 (E_RNA) where: Base-Base interactions energy: -9.323 where: short stacking energy: -9.323 Base-Backbone interact. energy: -0.000 local terms energy: -23.119883 where: bonds (distance) C4'-P energy: -6.031 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -5.277 flat angles P-C4'-P energy: -4.242 tors. eta vs tors. theta energy: -1.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 258 Temperature: 1.250000 Total energy: -36.933507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.933507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.933507 (E_RNA) where: Base-Base interactions energy: -14.959 where: short stacking energy: -14.959 Base-Backbone interact. energy: -0.000 local terms energy: -21.974571 where: bonds (distance) C4'-P energy: -3.921 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -4.941 flat angles P-C4'-P energy: -3.331 tors. eta vs tors. theta energy: -4.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 258 Temperature: 1.300000 Total energy: -28.649705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.649705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.649705 (E_RNA) where: Base-Base interactions energy: -6.919 where: short stacking energy: -6.919 Base-Backbone interact. energy: -0.038 local terms energy: -21.692782 where: bonds (distance) C4'-P energy: -4.346 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -5.306 flat angles P-C4'-P energy: -3.673 tors. eta vs tors. theta energy: -1.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 258 Temperature: 1.350000 Total energy: -31.931886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.931886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.931886 (E_RNA) where: Base-Base interactions energy: -8.777 where: short stacking energy: -8.777 Base-Backbone interact. energy: -0.000 local terms energy: -23.154471 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -5.723 flat angles C4'-P-C4' energy: -5.810 flat angles P-C4'-P energy: -3.971 tors. eta vs tors. theta energy: -1.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 259 Temperature: 0.900000 Total energy: -40.786291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.786291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.786291 (E_RNA) where: Base-Base interactions energy: -16.562 where: short stacking energy: -16.562 Base-Backbone interact. energy: -0.000 local terms energy: -24.223732 where: bonds (distance) C4'-P energy: -3.600 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -6.122 flat angles P-C4'-P energy: -5.024 tors. eta vs tors. theta energy: -2.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 259 Temperature: 0.950000 Total energy: -41.775190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.775190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.775190 (E_RNA) where: Base-Base interactions energy: -14.248 where: short stacking energy: -14.248 Base-Backbone interact. energy: -0.000 local terms energy: -27.527353 where: bonds (distance) C4'-P energy: -4.006 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.456 flat angles P-C4'-P energy: -5.003 tors. eta vs tors. theta energy: -6.162 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: 2 ===================================== Write number: 259 Temperature: 1.000000 Total energy: -36.512205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.512205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.512205 (E_RNA) where: Base-Base interactions energy: -13.981 where: short stacking energy: -13.981 Base-Backbone interact. energy: -0.001 local terms energy: -22.530042 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -5.103 flat angles C4'-P-C4' energy: -5.396 flat angles P-C4'-P energy: -2.843 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: 4, replica: 1 ===================================== Write number: 259 Temperature: 1.050000 Total energy: -37.712437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.712437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.712437 (E_RNA) where: Base-Base interactions energy: -15.902 where: short stacking energy: -15.902 Base-Backbone interact. energy: 0.347 local terms energy: -22.157294 where: bonds (distance) C4'-P energy: -5.191 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: 0.875 flat angles P-C4'-P energy: -5.033 tors. eta vs tors. theta energy: -6.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 259 Temperature: 1.100000 Total energy: -33.727406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.727406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.727406 (E_RNA) where: Base-Base interactions energy: -11.384 where: short stacking energy: -11.384 Base-Backbone interact. energy: -0.003 local terms energy: -22.340150 where: bonds (distance) C4'-P energy: -5.750 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -5.692 flat angles P-C4'-P energy: -0.556 tors. eta vs tors. theta energy: -4.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 259 Temperature: 1.150000 Total energy: -39.919642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.919642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.919642 (E_RNA) where: Base-Base interactions energy: -14.498 where: short stacking energy: -14.498 Base-Backbone interact. energy: -0.000 local terms energy: -25.421575 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -5.211 flat angles C4'-P-C4' energy: -4.985 flat angles P-C4'-P energy: -5.201 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: 9 ===================================== Write number: 259 Temperature: 1.200000 Total energy: -35.385617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.385617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.385617 (E_RNA) where: Base-Base interactions energy: -12.596 where: short stacking energy: -12.596 Base-Backbone interact. energy: -0.000 local terms energy: -22.789328 where: bonds (distance) C4'-P energy: -5.518 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -5.197 flat angles P-C4'-P energy: -3.995 tors. eta vs tors. theta energy: -1.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 259 Temperature: 1.250000 Total energy: -33.860597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.860597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.860597 (E_RNA) where: Base-Base interactions energy: -11.824 where: short stacking energy: -11.824 Base-Backbone interact. energy: -0.001 local terms energy: -22.035442 where: bonds (distance) C4'-P energy: -3.597 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -5.656 flat angles P-C4'-P energy: -4.551 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: 5 ===================================== Write number: 259 Temperature: 1.300000 Total energy: -29.578342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.578342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.578342 (E_RNA) where: Base-Base interactions energy: -8.519 where: short stacking energy: -8.519 Base-Backbone interact. energy: -0.010 local terms energy: -21.050016 where: bonds (distance) C4'-P energy: -4.401 bonds (distance) P-C4' energy: -6.432 flat angles C4'-P-C4' energy: -3.812 flat angles P-C4'-P energy: -2.390 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: 10, replica: 4 ===================================== Write number: 259 Temperature: 1.350000 Total energy: -32.570857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.570857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.570857 (E_RNA) where: Base-Base interactions energy: -9.446 where: short stacking energy: -9.446 Base-Backbone interact. energy: -0.031 local terms energy: -23.094258 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -6.114 flat angles P-C4'-P energy: -3.643 tors. eta vs tors. theta energy: -0.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 260 Temperature: 0.900000 Total energy: -36.652374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.652374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.652374 (E_RNA) where: Base-Base interactions energy: -12.489 where: short stacking energy: -12.489 Base-Backbone interact. energy: -0.010 local terms energy: -24.154067 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -6.341 flat angles P-C4'-P energy: -4.269 tors. eta vs tors. theta energy: -1.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 260 Temperature: 0.950000 Total energy: -34.955593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.955593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.955593 (E_RNA) where: Base-Base interactions energy: -14.000 where: short stacking energy: -14.000 Base-Backbone interact. energy: -0.000 local terms energy: -20.955703 where: bonds (distance) C4'-P energy: -5.269 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -3.287 flat angles P-C4'-P energy: -4.638 tors. eta vs tors. theta energy: -2.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 260 Temperature: 1.000000 Total energy: -43.549595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.549595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.549595 (E_RNA) where: Base-Base interactions energy: -17.835 where: short stacking energy: -17.835 Base-Backbone interact. energy: -0.001 local terms energy: -25.713751 where: bonds (distance) C4'-P energy: -3.932 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -5.845 flat angles P-C4'-P energy: -4.743 tors. eta vs tors. theta energy: -4.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 260 Temperature: 1.050000 Total energy: -38.142750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.142750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.142750 (E_RNA) where: Base-Base interactions energy: -13.562 where: short stacking energy: -13.562 Base-Backbone interact. energy: -0.000 local terms energy: -24.580734 where: bonds (distance) C4'-P energy: -6.246 bonds (distance) P-C4' energy: -6.364 flat angles C4'-P-C4' energy: -2.663 flat angles P-C4'-P energy: -5.256 tors. eta vs tors. theta energy: -4.052 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: 10 ===================================== Write number: 260 Temperature: 1.100000 Total energy: -35.976043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.976043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.976043 (E_RNA) where: Base-Base interactions energy: -12.611 where: short stacking energy: -12.611 Base-Backbone interact. energy: -0.010 local terms energy: -23.354545 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -5.901 flat angles P-C4'-P energy: -3.635 tors. eta vs tors. theta energy: -1.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 260 Temperature: 1.150000 Total energy: -33.837657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.837657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.837657 (E_RNA) where: Base-Base interactions energy: -10.871 where: short stacking energy: -10.871 Base-Backbone interact. energy: -0.069 local terms energy: -22.898029 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -6.097 flat angles C4'-P-C4' energy: -3.358 flat angles P-C4'-P energy: -3.896 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: 7, replica: 6 ===================================== Write number: 260 Temperature: 1.200000 Total energy: -29.752359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.752359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.752359 (E_RNA) where: Base-Base interactions energy: -8.119 where: short stacking energy: -8.119 Base-Backbone interact. energy: -1.708 local terms energy: -19.925362 where: bonds (distance) C4'-P energy: -5.117 bonds (distance) P-C4' energy: -5.770 flat angles C4'-P-C4' energy: -4.919 flat angles P-C4'-P energy: -3.967 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: 9 ===================================== Write number: 260 Temperature: 1.250000 Total energy: -32.383546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.383546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.383546 (E_RNA) where: Base-Base interactions energy: -9.891 where: short stacking energy: -9.891 Base-Backbone interact. energy: -0.001 local terms energy: -22.491453 where: bonds (distance) C4'-P energy: -6.044 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -4.749 flat angles P-C4'-P energy: -3.241 tors. eta vs tors. theta energy: -1.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 260 Temperature: 1.300000 Total energy: -32.172095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.172095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.172095 (E_RNA) where: Base-Base interactions energy: -8.781 where: short stacking energy: -7.793 Base-Backbone interact. energy: -0.001 local terms energy: -23.390082 where: bonds (distance) C4'-P energy: -5.033 bonds (distance) P-C4' energy: -4.659 flat angles C4'-P-C4' energy: -6.025 flat angles P-C4'-P energy: -3.561 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: 10, replica: 5 ===================================== Write number: 260 Temperature: 1.350000 Total energy: -31.575691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.575691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.575691 (E_RNA) where: Base-Base interactions energy: -11.885 where: short stacking energy: -11.885 Base-Backbone interact. energy: -0.001 local terms energy: -19.689416 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -3.582 flat angles C4'-P-C4' energy: -3.500 flat angles P-C4'-P energy: -3.420 tors. eta vs tors. theta energy: -3.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 261 Temperature: 0.900000 Total energy: -36.999656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.999656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.999656 (E_RNA) where: Base-Base interactions energy: -14.156 where: short stacking energy: -14.156 Base-Backbone interact. energy: -0.067 local terms energy: -22.777500 where: bonds (distance) C4'-P energy: -2.864 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -4.441 flat angles P-C4'-P energy: -4.379 tors. eta vs tors. theta energy: -3.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 261 Temperature: 0.950000 Total energy: -40.592099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.592099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.592099 (E_RNA) where: Base-Base interactions energy: -13.803 where: short stacking energy: -13.803 Base-Backbone interact. energy: -0.000 local terms energy: -26.788626 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -5.056 flat angles P-C4'-P energy: -3.790 tors. eta vs tors. theta energy: -5.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 261 Temperature: 1.000000 Total energy: -41.251422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.251422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.251422 (E_RNA) where: Base-Base interactions energy: -18.562 where: short stacking energy: -18.562 Base-Backbone interact. energy: -0.023 local terms energy: -22.666027 where: bonds (distance) C4'-P energy: -3.878 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -2.768 flat angles P-C4'-P energy: -5.174 tors. eta vs tors. theta energy: -3.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 261 Temperature: 1.050000 Total energy: -38.616951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.616951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.616951 (E_RNA) where: Base-Base interactions energy: -16.034 where: short stacking energy: -16.034 Base-Backbone interact. energy: -0.003 local terms energy: -22.579541 where: bonds (distance) C4'-P energy: -4.624 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -6.504 flat angles P-C4'-P energy: -3.641 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: 5, replica: 2 ===================================== Write number: 261 Temperature: 1.100000 Total energy: -33.146004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.146004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.146004 (E_RNA) where: Base-Base interactions energy: -8.354 where: short stacking energy: -8.354 Base-Backbone interact. energy: -0.092 local terms energy: -24.699772 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -4.919 flat angles P-C4'-P energy: -4.919 tors. eta vs tors. theta energy: -2.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 261 Temperature: 1.150000 Total energy: -35.690972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.690972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.690972 (E_RNA) where: Base-Base interactions energy: -13.981 where: short stacking energy: -13.981 Base-Backbone interact. energy: -0.054 local terms energy: -21.656121 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.124 flat angles C4'-P-C4' energy: -5.918 flat angles P-C4'-P energy: -3.581 tors. eta vs tors. theta energy: -0.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 261 Temperature: 1.200000 Total energy: -31.342230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.342230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.342230 (E_RNA) where: Base-Base interactions energy: -11.698 where: short stacking energy: -12.043 Base-Backbone interact. energy: -0.025 local terms energy: -19.619936 where: bonds (distance) C4'-P energy: -4.238 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -6.572 flat angles P-C4'-P energy: -3.798 tors. eta vs tors. theta energy: -0.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 261 Temperature: 1.250000 Total energy: -32.778217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.778217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.778217 (E_RNA) where: Base-Base interactions energy: -9.710 where: short stacking energy: -9.710 Base-Backbone interact. energy: -0.027 local terms energy: -23.041322 where: bonds (distance) C4'-P energy: -5.543 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -5.654 flat angles P-C4'-P energy: -3.714 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: 9, replica: 9 ===================================== Write number: 261 Temperature: 1.300000 Total energy: -31.538656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.538656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.538656 (E_RNA) where: Base-Base interactions energy: -8.585 where: short stacking energy: -8.585 Base-Backbone interact. energy: -0.005 local terms energy: -22.948257 where: bonds (distance) C4'-P energy: -1.896 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -5.991 flat angles P-C4'-P energy: -4.203 tors. eta vs tors. theta energy: -3.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 261 Temperature: 1.350000 Total energy: -30.918481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.918481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.918481 (E_RNA) where: Base-Base interactions energy: -8.616 where: short stacking energy: -8.616 Base-Backbone interact. energy: -0.003 local terms energy: -22.299385 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.438 flat angles C4'-P-C4' energy: -4.893 flat angles P-C4'-P energy: -2.816 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: 1, replica: 8 ===================================== Write number: 262 Temperature: 0.900000 Total energy: -40.045248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.045248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.045248 (E_RNA) where: Base-Base interactions energy: -15.555 where: short stacking energy: -15.555 Base-Backbone interact. energy: -0.195 local terms energy: -24.295034 where: bonds (distance) C4'-P energy: -4.980 bonds (distance) P-C4' energy: -5.276 flat angles C4'-P-C4' energy: -5.545 flat angles P-C4'-P energy: -4.777 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: 1 ===================================== Write number: 262 Temperature: 0.950000 Total energy: -37.003681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.003681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.003681 (E_RNA) where: Base-Base interactions energy: -17.620 where: short stacking energy: -17.620 Base-Backbone interact. energy: -0.055 local terms energy: -19.328885 where: bonds (distance) C4'-P energy: -5.882 bonds (distance) P-C4' energy: -6.873 flat angles C4'-P-C4' energy: -1.498 flat angles P-C4'-P energy: -3.237 tors. eta vs tors. theta energy: -1.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 262 Temperature: 1.000000 Total energy: -36.610707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.610707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.610707 (E_RNA) where: Base-Base interactions energy: -12.107 where: short stacking energy: -12.107 Base-Backbone interact. energy: -0.059 local terms energy: -24.444989 where: bonds (distance) C4'-P energy: -5.501 bonds (distance) P-C4' energy: -5.656 flat angles C4'-P-C4' energy: -5.886 flat angles P-C4'-P energy: -3.985 tors. eta vs tors. theta energy: -3.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 262 Temperature: 1.050000 Total energy: -36.639206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.639206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.639206 (E_RNA) where: Base-Base interactions energy: -13.760 where: short stacking energy: -13.760 Base-Backbone interact. energy: -0.000 local terms energy: -22.878983 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -4.256 flat angles P-C4'-P energy: -2.341 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: 5, replica: 3 ===================================== Write number: 262 Temperature: 1.100000 Total energy: -34.357643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.357643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.357643 (E_RNA) where: Base-Base interactions energy: -9.566 where: short stacking energy: -9.566 Base-Backbone interact. energy: -0.000 local terms energy: -24.791989 where: bonds (distance) C4'-P energy: -5.608 bonds (distance) P-C4' energy: -5.956 flat angles C4'-P-C4' energy: -5.764 flat angles P-C4'-P energy: -4.276 tors. eta vs tors. theta energy: -3.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 262 Temperature: 1.150000 Total energy: -34.243371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.243371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.243371 (E_RNA) where: Base-Base interactions energy: -12.488 where: short stacking energy: -12.488 Base-Backbone interact. energy: -0.022 local terms energy: -21.732588 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -3.143 flat angles P-C4'-P energy: -4.265 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: 4 ===================================== Write number: 262 Temperature: 1.200000 Total energy: -33.353947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.353947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.353947 (E_RNA) where: Base-Base interactions energy: -12.314 where: short stacking energy: -12.314 Base-Backbone interact. energy: -0.000 local terms energy: -21.039819 where: bonds (distance) C4'-P energy: -4.603 bonds (distance) P-C4' energy: -5.273 flat angles C4'-P-C4' energy: -2.199 flat angles P-C4'-P energy: -4.850 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: 8, replica: 6 ===================================== Write number: 262 Temperature: 1.250000 Total energy: -30.833316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.833316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.833316 (E_RNA) where: Base-Base interactions energy: -9.653 where: short stacking energy: -9.653 Base-Backbone interact. energy: 0.644 local terms energy: -21.824730 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -5.040 flat angles C4'-P-C4' energy: -5.486 flat angles P-C4'-P energy: -4.075 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: 262 Temperature: 1.300000 Total energy: -29.991657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.991657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.991657 (E_RNA) where: Base-Base interactions energy: -10.609 where: short stacking energy: -10.609 Base-Backbone interact. energy: -0.000 local terms energy: -19.382925 where: bonds (distance) C4'-P energy: -5.572 bonds (distance) P-C4' energy: -5.276 flat angles C4'-P-C4' energy: -3.086 flat angles P-C4'-P energy: -2.704 tors. eta vs tors. theta energy: -2.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 262 Temperature: 1.350000 Total energy: -27.703365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.703365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.703365 (E_RNA) where: Base-Base interactions energy: -11.409 where: short stacking energy: -11.409 Base-Backbone interact. energy: -0.104 local terms energy: -16.190006 where: bonds (distance) C4'-P energy: -4.789 bonds (distance) P-C4' energy: -4.917 flat angles C4'-P-C4' energy: -3.758 flat angles P-C4'-P energy: -3.321 tors. eta vs tors. theta energy: 0.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 263 Temperature: 0.900000 Total energy: -38.650732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.650732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.650732 (E_RNA) where: Base-Base interactions energy: -13.554 where: short stacking energy: -13.554 Base-Backbone interact. energy: -0.000 local terms energy: -25.096779 where: bonds (distance) C4'-P energy: -6.354 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -4.277 flat angles P-C4'-P energy: -2.664 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: 2, replica: 10 ===================================== Write number: 263 Temperature: 0.950000 Total energy: -35.518186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.518186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.518186 (E_RNA) where: Base-Base interactions energy: -10.098 where: short stacking energy: -10.098 Base-Backbone interact. energy: -0.018 local terms energy: -25.401794 where: bonds (distance) C4'-P energy: -5.600 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.010 flat angles P-C4'-P energy: -5.345 tors. eta vs tors. theta energy: -2.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 263 Temperature: 1.000000 Total energy: -36.519864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.519864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.519864 (E_RNA) where: Base-Base interactions energy: -12.632 where: short stacking energy: -12.632 Base-Backbone interact. energy: -0.000 local terms energy: -23.887959 where: bonds (distance) C4'-P energy: -5.721 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -4.154 flat angles P-C4'-P energy: -4.271 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: 4, replica: 3 ===================================== Write number: 263 Temperature: 1.050000 Total energy: -36.076273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.076273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.076273 (E_RNA) where: Base-Base interactions energy: -15.652 where: short stacking energy: -15.652 Base-Backbone interact. energy: -0.036 local terms energy: -20.387950 where: bonds (distance) C4'-P energy: -5.696 bonds (distance) P-C4' energy: -3.512 flat angles C4'-P-C4' energy: -5.036 flat angles P-C4'-P energy: -3.767 tors. eta vs tors. theta energy: -2.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 263 Temperature: 1.100000 Total energy: -39.127248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.127248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.127248 (E_RNA) where: Base-Base interactions energy: -16.156 where: short stacking energy: -16.156 Base-Backbone interact. energy: -0.000 local terms energy: -22.971360 where: bonds (distance) C4'-P energy: -3.796 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -5.730 flat angles P-C4'-P energy: -2.966 tors. eta vs tors. theta energy: -4.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 263 Temperature: 1.150000 Total energy: -38.031970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.031970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.031970 (E_RNA) where: Base-Base interactions energy: -13.740 where: short stacking energy: -13.740 Base-Backbone interact. energy: -0.000 local terms energy: -24.291481 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -6.407 flat angles C4'-P-C4' energy: -5.548 flat angles P-C4'-P energy: -4.148 tors. eta vs tors. theta energy: -2.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 263 Temperature: 1.200000 Total energy: -31.868451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.868451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.868451 (E_RNA) where: Base-Base interactions energy: -10.018 where: short stacking energy: -10.018 Base-Backbone interact. energy: -0.000 local terms energy: -21.850517 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -5.634 flat angles C4'-P-C4' energy: -4.644 flat angles P-C4'-P energy: -5.478 tors. eta vs tors. theta energy: -0.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 263 Temperature: 1.250000 Total energy: -31.367079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.367079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.367079 (E_RNA) where: Base-Base interactions energy: -8.310 where: short stacking energy: -6.722 Base-Backbone interact. energy: -0.009 local terms energy: -23.048129 where: bonds (distance) C4'-P energy: -4.222 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -6.336 flat angles P-C4'-P energy: -4.128 tors. eta vs tors. theta energy: -1.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 263 Temperature: 1.300000 Total energy: -28.074190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.074190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.074190 (E_RNA) where: Base-Base interactions energy: -4.804 where: short stacking energy: -4.804 Base-Backbone interact. energy: -0.016 local terms energy: -23.254224 where: bonds (distance) C4'-P energy: -5.766 bonds (distance) P-C4' energy: -5.576 flat angles C4'-P-C4' energy: -4.988 flat angles P-C4'-P energy: -4.785 tors. eta vs tors. theta energy: -2.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 263 Temperature: 1.350000 Total energy: -31.725812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.725812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.725812 (E_RNA) where: Base-Base interactions energy: -11.661 where: short stacking energy: -11.661 Base-Backbone interact. energy: -0.000 local terms energy: -20.064368 where: bonds (distance) C4'-P energy: -5.411 bonds (distance) P-C4' energy: -6.447 flat angles C4'-P-C4' energy: -4.619 flat angles P-C4'-P energy: -0.644 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: 1, replica: 10 ===================================== Write number: 264 Temperature: 0.900000 Total energy: -39.720274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.720274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.720274 (E_RNA) where: Base-Base interactions energy: -13.764 where: short stacking energy: -13.764 Base-Backbone interact. energy: -0.000 local terms energy: -25.955704 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -4.795 flat angles P-C4'-P energy: -2.961 tors. eta vs tors. theta energy: -6.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 264 Temperature: 0.950000 Total energy: -39.367799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.367799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.367799 (E_RNA) where: Base-Base interactions energy: -13.930 where: short stacking energy: -13.930 Base-Backbone interact. energy: -0.000 local terms energy: -25.438166 where: bonds (distance) C4'-P energy: -5.651 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -5.705 flat angles P-C4'-P energy: -3.902 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: 3, replica: 3 ===================================== Write number: 264 Temperature: 1.000000 Total energy: -34.627075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.627075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.627075 (E_RNA) where: Base-Base interactions energy: -14.596 where: short stacking energy: -14.596 Base-Backbone interact. energy: -0.001 local terms energy: -20.029861 where: bonds (distance) C4'-P energy: -4.673 bonds (distance) P-C4' energy: -5.600 flat angles C4'-P-C4' energy: -4.239 flat angles P-C4'-P energy: -4.374 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: 1 ===================================== Write number: 264 Temperature: 1.050000 Total energy: -36.010894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.010894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.010894 (E_RNA) where: Base-Base interactions energy: -10.937 where: short stacking energy: -10.937 Base-Backbone interact. energy: -0.000 local terms energy: -25.073971 where: bonds (distance) C4'-P energy: -5.982 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -4.010 flat angles P-C4'-P energy: -3.635 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: 5, replica: 4 ===================================== Write number: 264 Temperature: 1.100000 Total energy: -35.679696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.679696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.679696 (E_RNA) where: Base-Base interactions energy: -15.677 where: short stacking energy: -15.677 Base-Backbone interact. energy: -0.014 local terms energy: -19.988520 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -2.639 flat angles P-C4'-P energy: -0.851 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: 6, replica: 7 ===================================== Write number: 264 Temperature: 1.150000 Total energy: -30.821166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.821166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.821166 (E_RNA) where: Base-Base interactions energy: -8.019 where: short stacking energy: -8.019 Base-Backbone interact. energy: -0.001 local terms energy: -22.800626 where: bonds (distance) C4'-P energy: -5.696 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -4.986 flat angles P-C4'-P energy: -4.394 tors. eta vs tors. theta energy: -1.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 264 Temperature: 1.200000 Total energy: -32.316384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.316384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.316384 (E_RNA) where: Base-Base interactions energy: -10.016 where: short stacking energy: -10.016 Base-Backbone interact. energy: 1.555 local terms energy: -23.855209 where: bonds (distance) C4'-P energy: -4.983 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -4.882 flat angles P-C4'-P energy: -4.769 tors. eta vs tors. theta energy: -2.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 264 Temperature: 1.250000 Total energy: -36.456358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.456358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.456358 (E_RNA) where: Base-Base interactions energy: -12.209 where: short stacking energy: -12.209 Base-Backbone interact. energy: -0.031 local terms energy: -24.216245 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -4.665 flat angles P-C4'-P energy: -3.879 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: 9, replica: 9 ===================================== Write number: 264 Temperature: 1.300000 Total energy: -30.650509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.650509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.650509 (E_RNA) where: Base-Base interactions energy: -13.550 where: short stacking energy: -13.550 Base-Backbone interact. energy: -0.171 local terms energy: -16.929265 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -4.514 flat angles P-C4'-P energy: 1.027 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: 10, replica: 6 ===================================== Write number: 264 Temperature: 1.350000 Total energy: -33.657613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.657613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.657613 (E_RNA) where: Base-Base interactions energy: -11.058 where: short stacking energy: -11.058 Base-Backbone interact. energy: -0.000 local terms energy: -22.599424 where: bonds (distance) C4'-P energy: -4.052 bonds (distance) P-C4' energy: -5.103 flat angles C4'-P-C4' energy: -4.898 flat angles P-C4'-P energy: -4.359 tors. eta vs tors. theta energy: -4.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 265 Temperature: 0.900000 Total energy: -40.282311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.282311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.282311 (E_RNA) where: Base-Base interactions energy: -17.296 where: short stacking energy: -17.296 Base-Backbone interact. energy: -0.000 local terms energy: -22.986245 where: bonds (distance) C4'-P energy: -4.285 bonds (distance) P-C4' energy: -6.131 flat angles C4'-P-C4' energy: -4.984 flat angles P-C4'-P energy: -4.327 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: 2, replica: 3 ===================================== Write number: 265 Temperature: 0.950000 Total energy: -41.060744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.060744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.060744 (E_RNA) where: Base-Base interactions energy: -16.193 where: short stacking energy: -16.193 Base-Backbone interact. energy: -0.000 local terms energy: -24.867101 where: bonds (distance) C4'-P energy: -3.689 bonds (distance) P-C4' energy: -7.130 flat angles C4'-P-C4' energy: -5.307 flat angles P-C4'-P energy: -4.391 tors. eta vs tors. theta energy: -4.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 265 Temperature: 1.000000 Total energy: -42.487627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.487627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.487627 (E_RNA) where: Base-Base interactions energy: -13.783 where: short stacking energy: -13.783 Base-Backbone interact. energy: -0.000 local terms energy: -28.704842 where: bonds (distance) C4'-P energy: -5.340 bonds (distance) P-C4' energy: -5.864 flat angles C4'-P-C4' energy: -5.518 flat angles P-C4'-P energy: -4.830 tors. eta vs tors. theta energy: -7.153 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: 4 ===================================== Write number: 265 Temperature: 1.050000 Total energy: -38.995633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.995633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.995633 (E_RNA) where: Base-Base interactions energy: -14.659 where: short stacking energy: -14.659 Base-Backbone interact. energy: -0.076 local terms energy: -24.261384 where: bonds (distance) C4'-P energy: -6.105 bonds (distance) P-C4' energy: -5.966 flat angles C4'-P-C4' energy: -4.664 flat angles P-C4'-P energy: -5.567 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: 5, replica: 1 ===================================== Write number: 265 Temperature: 1.100000 Total energy: -34.051171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.051171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.051171 (E_RNA) where: Base-Base interactions energy: -11.671 where: short stacking energy: -11.671 Base-Backbone interact. energy: 0.530 local terms energy: -22.910103 where: bonds (distance) C4'-P energy: -4.735 bonds (distance) P-C4' energy: -5.321 flat angles C4'-P-C4' energy: -6.465 flat angles P-C4'-P energy: -4.713 tors. eta vs tors. theta energy: -1.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 265 Temperature: 1.150000 Total energy: -35.124023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.124023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.124023 (E_RNA) where: Base-Base interactions energy: -11.608 where: short stacking energy: -11.608 Base-Backbone interact. energy: -0.001 local terms energy: -23.514996 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -7.144 flat angles C4'-P-C4' energy: -5.876 flat angles P-C4'-P energy: -3.202 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: 7 ===================================== Write number: 265 Temperature: 1.200000 Total energy: -35.082335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.082335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.082335 (E_RNA) where: Base-Base interactions energy: -12.454 where: short stacking energy: -13.554 Base-Backbone interact. energy: -0.275 local terms energy: -22.352846 where: bonds (distance) C4'-P energy: -4.656 bonds (distance) P-C4' energy: -5.702 flat angles C4'-P-C4' energy: -6.220 flat angles P-C4'-P energy: -4.883 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: 9 ===================================== Write number: 265 Temperature: 1.250000 Total energy: -30.145528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.145528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.145528 (E_RNA) where: Base-Base interactions energy: -9.863 where: short stacking energy: -9.863 Base-Backbone interact. energy: -0.001 local terms energy: -20.281259 where: bonds (distance) C4'-P energy: -4.967 bonds (distance) P-C4' energy: -5.466 flat angles C4'-P-C4' energy: -5.218 flat angles P-C4'-P energy: -3.106 tors. eta vs tors. theta energy: -1.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 265 Temperature: 1.300000 Total energy: -30.994334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.994334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.994334 (E_RNA) where: Base-Base interactions energy: -9.378 where: short stacking energy: -9.378 Base-Backbone interact. energy: -0.000 local terms energy: -21.615900 where: bonds (distance) C4'-P energy: -5.402 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.846 flat angles P-C4'-P energy: -0.826 tors. eta vs tors. theta energy: -3.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 265 Temperature: 1.350000 Total energy: -30.397035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.397035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.397035 (E_RNA) where: Base-Base interactions energy: -8.613 where: short stacking energy: -8.613 Base-Backbone interact. energy: -0.001 local terms energy: -21.782788 where: bonds (distance) C4'-P energy: -3.572 bonds (distance) P-C4' energy: -5.767 flat angles C4'-P-C4' energy: -5.464 flat angles P-C4'-P energy: -4.275 tors. eta vs tors. theta energy: -2.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 266 Temperature: 0.900000 Total energy: -39.407450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.407450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.407450 (E_RNA) where: Base-Base interactions energy: -12.758 where: short stacking energy: -12.758 Base-Backbone interact. energy: -0.008 local terms energy: -26.641348 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.132 flat angles C4'-P-C4' energy: -5.968 flat angles P-C4'-P energy: -5.385 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: 2, replica: 10 ===================================== Write number: 266 Temperature: 0.950000 Total energy: -43.002710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.002710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.002710 (E_RNA) where: Base-Base interactions energy: -18.629 where: short stacking energy: -18.629 Base-Backbone interact. energy: -0.000 local terms energy: -24.373256 where: bonds (distance) C4'-P energy: -5.580 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -6.413 flat angles P-C4'-P energy: -2.062 tors. eta vs tors. theta energy: -4.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 266 Temperature: 1.000000 Total energy: -34.437338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.437338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.437338 (E_RNA) where: Base-Base interactions energy: -9.369 where: short stacking energy: -9.369 Base-Backbone interact. energy: -0.000 local terms energy: -25.067940 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -4.993 flat angles P-C4'-P energy: -2.797 tors. eta vs tors. theta energy: -3.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 266 Temperature: 1.050000 Total energy: -36.293830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.293830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.293830 (E_RNA) where: Base-Base interactions energy: -12.791 where: short stacking energy: -12.791 Base-Backbone interact. energy: -0.048 local terms energy: -23.454814 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -5.600 flat angles C4'-P-C4' energy: -5.903 flat angles P-C4'-P energy: -1.351 tors. eta vs tors. theta energy: -4.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 266 Temperature: 1.100000 Total energy: -31.453499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.453499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.453499 (E_RNA) where: Base-Base interactions energy: -7.802 where: short stacking energy: -7.802 Base-Backbone interact. energy: -0.000 local terms energy: -23.651576 where: bonds (distance) C4'-P energy: -6.246 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.588 flat angles P-C4'-P energy: -4.140 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: 6, replica: 5 ===================================== Write number: 266 Temperature: 1.150000 Total energy: -30.858797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.858797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.858797 (E_RNA) where: Base-Base interactions energy: -8.528 where: short stacking energy: -8.603 Base-Backbone interact. energy: -0.003 local terms energy: -22.327773 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -5.537 flat angles C4'-P-C4' energy: -5.792 flat angles P-C4'-P energy: -3.006 tors. eta vs tors. theta energy: -2.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 266 Temperature: 1.200000 Total energy: -32.109357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.109357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.109357 (E_RNA) where: Base-Base interactions energy: -7.717 where: short stacking energy: -7.717 Base-Backbone interact. energy: -0.057 local terms energy: -24.335040 where: bonds (distance) C4'-P energy: -6.168 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -4.876 flat angles P-C4'-P energy: -3.420 tors. eta vs tors. theta energy: -2.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 266 Temperature: 1.250000 Total energy: -34.362140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.362140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.362140 (E_RNA) where: Base-Base interactions energy: -10.932 where: short stacking energy: -10.932 Base-Backbone interact. energy: -0.002 local terms energy: -23.428081 where: bonds (distance) C4'-P energy: -5.306 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -4.950 flat angles P-C4'-P energy: -5.231 tors. eta vs tors. theta energy: -1.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 266 Temperature: 1.300000 Total energy: -30.138110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.138110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.138110 (E_RNA) where: Base-Base interactions energy: -12.048 where: short stacking energy: -12.048 Base-Backbone interact. energy: -0.000 local terms energy: -18.090086 where: bonds (distance) C4'-P energy: -3.283 bonds (distance) P-C4' energy: -5.833 flat angles C4'-P-C4' energy: -4.451 flat angles P-C4'-P energy: -1.663 tors. eta vs tors. theta energy: -2.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 266 Temperature: 1.350000 Total energy: -33.657732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.657732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.657732 (E_RNA) where: Base-Base interactions energy: -12.735 where: short stacking energy: -12.735 Base-Backbone interact. energy: -0.014 local terms energy: -20.908579 where: bonds (distance) C4'-P energy: -4.516 bonds (distance) P-C4' energy: -6.678 flat angles C4'-P-C4' energy: -4.915 flat angles P-C4'-P energy: -3.800 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: 1, replica: 3 ===================================== Write number: 267 Temperature: 0.900000 Total energy: -38.133853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.133853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.133853 (E_RNA) where: Base-Base interactions energy: -12.916 where: short stacking energy: -12.916 Base-Backbone interact. energy: -0.000 local terms energy: -25.217662 where: bonds (distance) C4'-P energy: -5.750 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -5.550 flat angles P-C4'-P energy: -3.881 tors. eta vs tors. theta energy: -3.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 267 Temperature: 0.950000 Total energy: -39.784311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.784311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.784311 (E_RNA) where: Base-Base interactions energy: -17.532 where: short stacking energy: -17.532 Base-Backbone interact. energy: -0.000 local terms energy: -22.252525 where: bonds (distance) C4'-P energy: -4.756 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -4.142 flat angles P-C4'-P energy: -3.630 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: 3, replica: 4 ===================================== Write number: 267 Temperature: 1.000000 Total energy: -39.372388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.372388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.372388 (E_RNA) where: Base-Base interactions energy: -15.410 where: short stacking energy: -15.410 Base-Backbone interact. energy: -0.000 local terms energy: -23.962388 where: bonds (distance) C4'-P energy: -5.402 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -6.314 flat angles P-C4'-P energy: -0.910 tors. eta vs tors. theta energy: -5.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 267 Temperature: 1.050000 Total energy: -29.980844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.980844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.980844 (E_RNA) where: Base-Base interactions energy: -9.128 where: short stacking energy: -9.128 Base-Backbone interact. energy: -0.129 local terms energy: -20.723027 where: bonds (distance) C4'-P energy: -5.365 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -4.131 flat angles P-C4'-P energy: -5.562 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: 5, replica: 8 ===================================== Write number: 267 Temperature: 1.100000 Total energy: -36.066082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.066082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.066082 (E_RNA) where: Base-Base interactions energy: -13.288 where: short stacking energy: -13.288 Base-Backbone interact. energy: -0.002 local terms energy: -22.776225 where: bonds (distance) C4'-P energy: -5.013 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -3.940 flat angles P-C4'-P energy: -5.021 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: 6, replica: 5 ===================================== Write number: 267 Temperature: 1.150000 Total energy: -33.770239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.770239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.770239 (E_RNA) where: Base-Base interactions energy: -10.614 where: short stacking energy: -10.614 Base-Backbone interact. energy: -0.008 local terms energy: -23.148734 where: bonds (distance) C4'-P energy: -5.075 bonds (distance) P-C4' energy: -5.395 flat angles C4'-P-C4' energy: -5.705 flat angles P-C4'-P energy: -3.743 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: 7, replica: 9 ===================================== Write number: 267 Temperature: 1.200000 Total energy: -36.302743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.302743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.302743 (E_RNA) where: Base-Base interactions energy: -9.472 where: short stacking energy: -9.472 Base-Backbone interact. energy: -0.095 local terms energy: -26.736257 where: bonds (distance) C4'-P energy: -5.340 bonds (distance) P-C4' energy: -6.889 flat angles C4'-P-C4' energy: -6.322 flat angles P-C4'-P energy: -4.888 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: 8, replica: 6 ===================================== Write number: 267 Temperature: 1.250000 Total energy: -34.588557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.588557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.588557 (E_RNA) where: Base-Base interactions energy: -11.501 where: short stacking energy: -11.501 Base-Backbone interact. energy: -0.067 local terms energy: -23.020931 where: bonds (distance) C4'-P energy: -5.572 bonds (distance) P-C4' energy: -5.702 flat angles C4'-P-C4' energy: -6.061 flat angles P-C4'-P energy: -4.827 tors. eta vs tors. theta energy: -0.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 267 Temperature: 1.300000 Total energy: -35.177864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.177864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.177864 (E_RNA) where: Base-Base interactions energy: -15.808 where: short stacking energy: -15.808 Base-Backbone interact. energy: -0.035 local terms energy: -19.334961 where: bonds (distance) C4'-P energy: -3.928 bonds (distance) P-C4' energy: -5.315 flat angles C4'-P-C4' energy: -4.257 flat angles P-C4'-P energy: -3.192 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: 10, replica: 2 ===================================== Write number: 267 Temperature: 1.350000 Total energy: -27.980710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.980710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.980710 (E_RNA) where: Base-Base interactions energy: -9.456 where: short stacking energy: -9.456 Base-Backbone interact. energy: -0.010 local terms energy: -18.515298 where: bonds (distance) C4'-P energy: -5.233 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -5.090 flat angles P-C4'-P energy: -2.079 tors. eta vs tors. theta energy: 0.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 268 Temperature: 0.900000 Total energy: -40.186329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.186329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.186329 (E_RNA) where: Base-Base interactions energy: -15.083 where: short stacking energy: -15.083 Base-Backbone interact. energy: -0.037 local terms energy: -25.066238 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -5.153 flat angles C4'-P-C4' energy: -6.155 flat angles P-C4'-P energy: -4.373 tors. eta vs tors. theta energy: -3.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 268 Temperature: 0.950000 Total energy: -38.856055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.856055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.856055 (E_RNA) where: Base-Base interactions energy: -15.071 where: short stacking energy: -15.071 Base-Backbone interact. energy: -0.003 local terms energy: -23.781386 where: bonds (distance) C4'-P energy: -4.665 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -4.870 flat angles P-C4'-P energy: -2.709 tors. eta vs tors. theta energy: -5.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 268 Temperature: 1.000000 Total energy: -38.239518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.239518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.239518 (E_RNA) where: Base-Base interactions energy: -10.754 where: short stacking energy: -10.754 Base-Backbone interact. energy: -0.000 local terms energy: -27.485586 where: bonds (distance) C4'-P energy: -5.411 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -5.124 flat angles P-C4'-P energy: -5.011 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: 4 ===================================== Write number: 268 Temperature: 1.050000 Total energy: -37.436285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.436285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.436285 (E_RNA) where: Base-Base interactions energy: -14.391 where: short stacking energy: -14.391 Base-Backbone interact. energy: -0.047 local terms energy: -22.997628 where: bonds (distance) C4'-P energy: -4.052 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -5.894 flat angles P-C4'-P energy: -2.724 tors. eta vs tors. theta energy: -4.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 268 Temperature: 1.100000 Total energy: -36.826052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.826052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.826052 (E_RNA) where: Base-Base interactions energy: -12.420 where: short stacking energy: -12.420 Base-Backbone interact. energy: -0.000 local terms energy: -24.405497 where: bonds (distance) C4'-P energy: -4.959 bonds (distance) P-C4' energy: -5.705 flat angles C4'-P-C4' energy: -5.887 flat angles P-C4'-P energy: -4.550 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: 6, replica: 8 ===================================== Write number: 268 Temperature: 1.150000 Total energy: -32.358209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.358209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.358209 (E_RNA) where: Base-Base interactions energy: -9.921 where: short stacking energy: -9.921 Base-Backbone interact. energy: -0.050 local terms energy: -22.386654 where: bonds (distance) C4'-P energy: -4.690 bonds (distance) P-C4' energy: -5.058 flat angles C4'-P-C4' energy: -5.696 flat angles P-C4'-P energy: -4.096 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: 7, replica: 6 ===================================== Write number: 268 Temperature: 1.200000 Total energy: -31.359729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.359729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.359729 (E_RNA) where: Base-Base interactions energy: -9.838 where: short stacking energy: -9.838 Base-Backbone interact. energy: -0.330 local terms energy: -21.191514 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -6.364 flat angles C4'-P-C4' energy: -6.098 flat angles P-C4'-P energy: -3.353 tors. eta vs tors. theta energy: 0.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 268 Temperature: 1.250000 Total energy: -26.954691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.954691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.954691 (E_RNA) where: Base-Base interactions energy: -4.223 where: short stacking energy: -4.223 Base-Backbone interact. energy: -0.329 local terms energy: -22.402032 where: bonds (distance) C4'-P energy: -4.337 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -6.519 flat angles P-C4'-P energy: -4.363 tors. eta vs tors. theta energy: -0.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 268 Temperature: 1.300000 Total energy: -29.733606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.733606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.733606 (E_RNA) where: Base-Base interactions energy: -13.616 where: short stacking energy: -13.616 Base-Backbone interact. energy: -0.004 local terms energy: -16.113654 where: bonds (distance) C4'-P energy: -3.990 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -4.084 flat angles P-C4'-P energy: -0.258 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: 7 ===================================== Write number: 268 Temperature: 1.350000 Total energy: -31.709132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.709132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.709132 (E_RNA) where: Base-Base interactions energy: -11.206 where: short stacking energy: -11.206 Base-Backbone interact. energy: -0.058 local terms energy: -20.445434 where: bonds (distance) C4'-P energy: -1.569 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -5.210 flat angles P-C4'-P energy: -4.551 tors. eta vs tors. theta energy: -2.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 269 Temperature: 0.900000 Total energy: -36.712289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.712289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.712289 (E_RNA) where: Base-Base interactions energy: -12.844 where: short stacking energy: -12.844 Base-Backbone interact. energy: -0.011 local terms energy: -23.857771 where: bonds (distance) C4'-P energy: -5.261 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -5.057 flat angles P-C4'-P energy: -4.798 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: 1 ===================================== Write number: 269 Temperature: 0.950000 Total energy: -39.391834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.391834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.391834 (E_RNA) where: Base-Base interactions energy: -11.012 where: short stacking energy: -11.012 Base-Backbone interact. energy: -0.000 local terms energy: -28.380280 where: bonds (distance) C4'-P energy: -6.014 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -6.245 flat angles P-C4'-P energy: -4.876 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: 3, replica: 3 ===================================== Write number: 269 Temperature: 1.000000 Total energy: -38.700154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.700154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.700154 (E_RNA) where: Base-Base interactions energy: -13.623 where: short stacking energy: -13.623 Base-Backbone interact. energy: -0.035 local terms energy: -25.042900 where: bonds (distance) C4'-P energy: -5.211 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -5.604 flat angles P-C4'-P energy: -4.843 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: 4, replica: 4 ===================================== Write number: 269 Temperature: 1.050000 Total energy: -38.465788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.465788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.465788 (E_RNA) where: Base-Base interactions energy: -17.150 where: short stacking energy: -17.150 Base-Backbone interact. energy: -0.024 local terms energy: -21.292082 where: bonds (distance) C4'-P energy: -4.578 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -6.455 flat angles P-C4'-P energy: -1.009 tors. eta vs tors. theta energy: -3.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 269 Temperature: 1.100000 Total energy: -35.468443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.468443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.468443 (E_RNA) where: Base-Base interactions energy: -14.042 where: short stacking energy: -14.042 Base-Backbone interact. energy: -0.000 local terms energy: -21.425987 where: bonds (distance) C4'-P energy: -4.789 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -3.184 flat angles P-C4'-P energy: -1.453 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: 6, replica: 6 ===================================== Write number: 269 Temperature: 1.150000 Total energy: -31.645004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.645004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.645004 (E_RNA) where: Base-Base interactions energy: -10.970 where: short stacking energy: -10.970 Base-Backbone interact. energy: -0.011 local terms energy: -20.663281 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -5.469 flat angles C4'-P-C4' energy: -5.177 flat angles P-C4'-P energy: -4.359 tors. eta vs tors. theta energy: -0.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 269 Temperature: 1.200000 Total energy: -34.058466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.058466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.058466 (E_RNA) where: Base-Base interactions energy: -12.304 where: short stacking energy: -12.304 Base-Backbone interact. energy: -0.004 local terms energy: -21.750444 where: bonds (distance) C4'-P energy: -3.245 bonds (distance) P-C4' energy: -5.600 flat angles C4'-P-C4' energy: -4.986 flat angles P-C4'-P energy: -4.165 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: 8, replica: 2 ===================================== Write number: 269 Temperature: 1.250000 Total energy: -30.024763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.024763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.024763 (E_RNA) where: Base-Base interactions energy: -10.163 where: short stacking energy: -10.163 Base-Backbone interact. energy: -0.004 local terms energy: -19.857677 where: bonds (distance) C4'-P energy: -5.837 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -5.082 flat angles P-C4'-P energy: -4.073 tors. eta vs tors. theta energy: 1.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 269 Temperature: 1.300000 Total energy: -27.423334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.423334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.423334 (E_RNA) where: Base-Base interactions energy: -10.363 where: short stacking energy: -10.363 Base-Backbone interact. energy: -0.141 local terms energy: -16.919215 where: bonds (distance) C4'-P energy: -4.554 bonds (distance) P-C4' energy: -3.916 flat angles C4'-P-C4' energy: -2.829 flat angles P-C4'-P energy: -3.889 tors. eta vs tors. theta energy: -1.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 269 Temperature: 1.350000 Total energy: -28.577499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.577499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.577499 (E_RNA) where: Base-Base interactions energy: -9.104 where: short stacking energy: -9.104 Base-Backbone interact. energy: -0.047 local terms energy: -19.427094 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -5.537 flat angles C4'-P-C4' energy: -3.976 flat angles P-C4'-P energy: -4.163 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: 1, replica: 1 ===================================== Write number: 270 Temperature: 0.900000 Total energy: -33.458446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.458446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.458446 (E_RNA) where: Base-Base interactions energy: -12.823 where: short stacking energy: -12.823 Base-Backbone interact. energy: -0.145 local terms energy: -20.490677 where: bonds (distance) C4'-P energy: -2.918 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -5.263 flat angles P-C4'-P energy: -4.728 tors. eta vs tors. theta energy: -1.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 270 Temperature: 0.950000 Total energy: -42.331869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.331869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.331869 (E_RNA) where: Base-Base interactions energy: -16.295 where: short stacking energy: -16.295 Base-Backbone interact. energy: -0.000 local terms energy: -26.037136 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -5.923 flat angles C4'-P-C4' energy: -5.484 flat angles P-C4'-P energy: -4.955 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: 3, replica: 4 ===================================== Write number: 270 Temperature: 1.000000 Total energy: -36.186276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.186276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.186276 (E_RNA) where: Base-Base interactions energy: -12.548 where: short stacking energy: -12.548 Base-Backbone interact. energy: -0.039 local terms energy: -23.599436 where: bonds (distance) C4'-P energy: -5.233 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -6.189 flat angles P-C4'-P energy: -4.784 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: 4, replica: 3 ===================================== Write number: 270 Temperature: 1.050000 Total energy: -41.028705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.028705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.028705 (E_RNA) where: Base-Base interactions energy: -17.997 where: short stacking energy: -17.997 Base-Backbone interact. energy: -0.000 local terms energy: -23.031516 where: bonds (distance) C4'-P energy: -4.694 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -5.147 flat angles P-C4'-P energy: -2.987 tors. eta vs tors. theta energy: -3.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 270 Temperature: 1.100000 Total energy: -32.406188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.406188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.406188 (E_RNA) where: Base-Base interactions energy: -10.216 where: short stacking energy: -10.216 Base-Backbone interact. energy: -0.008 local terms energy: -22.181839 where: bonds (distance) C4'-P energy: -3.965 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -5.761 flat angles P-C4'-P energy: -4.991 tors. eta vs tors. theta energy: -1.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 270 Temperature: 1.150000 Total energy: -34.772267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.772267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.772267 (E_RNA) where: Base-Base interactions energy: -13.220 where: short stacking energy: -13.220 Base-Backbone interact. energy: -0.019 local terms energy: -21.533392 where: bonds (distance) C4'-P energy: -4.019 bonds (distance) P-C4' energy: -5.150 flat angles C4'-P-C4' energy: -6.235 flat angles P-C4'-P energy: -4.488 tors. eta vs tors. theta energy: -1.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 270 Temperature: 1.200000 Total energy: -33.236434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.236434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.236434 (E_RNA) where: Base-Base interactions energy: -10.050 where: short stacking energy: -10.050 Base-Backbone interact. energy: -0.009 local terms energy: -23.176991 where: bonds (distance) C4'-P energy: -6.006 bonds (distance) P-C4' energy: -6.100 flat angles C4'-P-C4' energy: -6.195 flat angles P-C4'-P energy: -3.305 tors. eta vs tors. theta energy: -1.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 270 Temperature: 1.250000 Total energy: -36.277707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.277707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.277707 (E_RNA) where: Base-Base interactions energy: -11.780 where: short stacking energy: -12.069 Base-Backbone interact. energy: -0.038 local terms energy: -24.459445 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -4.723 flat angles P-C4'-P energy: -5.046 tors. eta vs tors. theta energy: -1.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 270 Temperature: 1.300000 Total energy: -26.578173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.578173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.578173 (E_RNA) where: Base-Base interactions energy: -5.923 where: short stacking energy: -5.923 Base-Backbone interact. energy: -0.032 local terms energy: -20.623640 where: bonds (distance) C4'-P energy: -5.411 bonds (distance) P-C4' energy: -5.597 flat angles C4'-P-C4' energy: -3.305 flat angles P-C4'-P energy: -4.432 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: 7 ===================================== Write number: 270 Temperature: 1.350000 Total energy: -31.750586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.750586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.750586 (E_RNA) where: Base-Base interactions energy: -12.377 where: short stacking energy: -12.377 Base-Backbone interact. energy: -0.057 local terms energy: -19.316994 where: bonds (distance) C4'-P energy: -5.323 bonds (distance) P-C4' energy: -3.100 flat angles C4'-P-C4' energy: -4.288 flat angles P-C4'-P energy: -2.790 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: 1 ===================================== Write number: 271 Temperature: 0.900000 Total energy: -42.186364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.186364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.186364 (E_RNA) where: Base-Base interactions energy: -16.066 where: short stacking energy: -16.066 Base-Backbone interact. energy: -0.103 local terms energy: -26.017214 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -5.925 flat angles P-C4'-P energy: -4.826 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: 2, replica: 4 ===================================== Write number: 271 Temperature: 0.950000 Total energy: -32.947946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.947946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.947946 (E_RNA) where: Base-Base interactions energy: -10.795 where: short stacking energy: -10.917 Base-Backbone interact. energy: -0.652 local terms energy: -21.500098 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.764 flat angles P-C4'-P energy: -5.352 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: 3, replica: 10 ===================================== Write number: 271 Temperature: 1.000000 Total energy: -42.171766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.171766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.171766 (E_RNA) where: Base-Base interactions energy: -18.214 where: short stacking energy: -18.214 Base-Backbone interact. energy: -0.000 local terms energy: -23.958226 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -4.761 flat angles P-C4'-P energy: -4.146 tors. eta vs tors. theta energy: -2.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 271 Temperature: 1.050000 Total energy: -35.620604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.620604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.620604 (E_RNA) where: Base-Base interactions energy: -12.166 where: short stacking energy: -12.166 Base-Backbone interact. energy: -0.004 local terms energy: -23.450993 where: bonds (distance) C4'-P energy: -6.569 bonds (distance) P-C4' energy: -4.681 flat angles C4'-P-C4' energy: -4.845 flat angles P-C4'-P energy: -3.907 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: 3 ===================================== Write number: 271 Temperature: 1.100000 Total energy: -37.781331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.781331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.781331 (E_RNA) where: Base-Base interactions energy: -12.765 where: short stacking energy: -12.765 Base-Backbone interact. energy: -0.003 local terms energy: -25.013662 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -5.758 flat angles C4'-P-C4' energy: -6.011 flat angles P-C4'-P energy: -3.792 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: 6, replica: 2 ===================================== Write number: 271 Temperature: 1.150000 Total energy: -37.994497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.994497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.994497 (E_RNA) where: Base-Base interactions energy: -15.508 where: short stacking energy: -15.508 Base-Backbone interact. energy: -0.005 local terms energy: -22.482029 where: bonds (distance) C4'-P energy: -5.199 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -4.904 flat angles P-C4'-P energy: -1.016 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: 7, replica: 5 ===================================== Write number: 271 Temperature: 1.200000 Total energy: -38.417934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.417934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.417934 (E_RNA) where: Base-Base interactions energy: -13.043 where: short stacking energy: -13.043 Base-Backbone interact. energy: -0.076 local terms energy: -25.299195 where: bonds (distance) C4'-P energy: -5.998 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -6.628 flat angles P-C4'-P energy: -3.704 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: 8, replica: 9 ===================================== Write number: 271 Temperature: 1.250000 Total energy: -32.801423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.801423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.801423 (E_RNA) where: Base-Base interactions energy: -11.908 where: short stacking energy: -11.908 Base-Backbone interact. energy: -0.001 local terms energy: -20.892945 where: bonds (distance) C4'-P energy: -4.206 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -4.952 flat angles P-C4'-P energy: -3.524 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: 9, replica: 8 ===================================== Write number: 271 Temperature: 1.300000 Total energy: -33.447307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.447307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.447307 (E_RNA) where: Base-Base interactions energy: -10.015 where: short stacking energy: -10.015 Base-Backbone interact. energy: -0.003 local terms energy: -23.429917 where: bonds (distance) C4'-P energy: -5.199 bonds (distance) P-C4' energy: -5.734 flat angles C4'-P-C4' energy: -4.936 flat angles P-C4'-P energy: -2.543 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: 10, replica: 7 ===================================== Write number: 271 Temperature: 1.350000 Total energy: -29.325449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.325449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.325449 (E_RNA) where: Base-Base interactions energy: -12.639 where: short stacking energy: -12.662 Base-Backbone interact. energy: -0.000 local terms energy: -16.686669 where: bonds (distance) C4'-P energy: -4.761 bonds (distance) P-C4' energy: -5.572 flat angles C4'-P-C4' energy: -3.984 flat angles P-C4'-P energy: -1.160 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: 4 ===================================== Write number: 272 Temperature: 0.900000 Total energy: -35.451641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.451641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.451641 (E_RNA) where: Base-Base interactions energy: -10.005 where: short stacking energy: -10.005 Base-Backbone interact. energy: -0.082 local terms energy: -25.364795 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -4.690 flat angles P-C4'-P energy: -5.242 tors. eta vs tors. theta energy: -2.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 272 Temperature: 0.950000 Total energy: -31.935510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.935510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.935510 (E_RNA) where: Base-Base interactions energy: -9.749 where: short stacking energy: -9.749 Base-Backbone interact. energy: -0.093 local terms energy: -22.092861 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -5.197 flat angles P-C4'-P energy: -3.415 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: 3, replica: 6 ===================================== Write number: 272 Temperature: 1.000000 Total energy: -33.424021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.424021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.424021 (E_RNA) where: Base-Base interactions energy: -10.249 where: short stacking energy: -10.249 Base-Backbone interact. energy: -0.071 local terms energy: -23.103616 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -5.351 flat angles P-C4'-P energy: -3.871 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: 4, replica: 10 ===================================== Write number: 272 Temperature: 1.050000 Total energy: -33.997175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.997175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.997175 (E_RNA) where: Base-Base interactions energy: -9.795 where: short stacking energy: -9.795 Base-Backbone interact. energy: -0.011 local terms energy: -24.191092 where: bonds (distance) C4'-P energy: -4.657 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.957 flat angles P-C4'-P energy: -3.926 tors. eta vs tors. theta energy: -2.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 272 Temperature: 1.100000 Total energy: -32.860802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.860802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.860802 (E_RNA) where: Base-Base interactions energy: -12.345 where: short stacking energy: -12.345 Base-Backbone interact. energy: -0.005 local terms energy: -20.511556 where: bonds (distance) C4'-P energy: -4.980 bonds (distance) P-C4' energy: -5.767 flat angles C4'-P-C4' energy: -3.350 flat angles P-C4'-P energy: -4.021 tors. eta vs tors. theta energy: -2.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 272 Temperature: 1.150000 Total energy: -29.467009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.467009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.467009 (E_RNA) where: Base-Base interactions energy: -9.631 where: short stacking energy: -9.501 Base-Backbone interact. energy: -0.004 local terms energy: -19.832660 where: bonds (distance) C4'-P energy: -4.647 bonds (distance) P-C4' energy: -5.923 flat angles C4'-P-C4' energy: -5.672 flat angles P-C4'-P energy: -4.213 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: 7, replica: 9 ===================================== Write number: 272 Temperature: 1.200000 Total energy: -32.519359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.519359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.519359 (E_RNA) where: Base-Base interactions energy: -13.555 where: short stacking energy: -13.555 Base-Backbone interact. energy: -0.012 local terms energy: -18.952406 where: bonds (distance) C4'-P energy: -4.789 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -4.054 flat angles P-C4'-P energy: -4.025 tors. eta vs tors. theta energy: 0.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 272 Temperature: 1.250000 Total energy: -31.868713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.868713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.868713 (E_RNA) where: Base-Base interactions energy: -12.383 where: short stacking energy: -12.383 Base-Backbone interact. energy: -0.000 local terms energy: -19.485805 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -3.948 flat angles C4'-P-C4' energy: -5.130 flat angles P-C4'-P energy: -1.945 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: 7 ===================================== Write number: 272 Temperature: 1.300000 Total energy: -33.551882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.551882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.551882 (E_RNA) where: Base-Base interactions energy: -9.601 where: short stacking energy: -9.601 Base-Backbone interact. energy: -0.000 local terms energy: -23.951005 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -2.556 flat angles P-C4'-P energy: -2.738 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: 10, replica: 8 ===================================== Write number: 272 Temperature: 1.350000 Total energy: -32.896399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.896399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.896399 (E_RNA) where: Base-Base interactions energy: -13.188 where: short stacking energy: -13.188 Base-Backbone interact. energy: -0.060 local terms energy: -19.647870 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -5.709 flat angles C4'-P-C4' energy: -3.966 flat angles P-C4'-P energy: -5.058 tors. eta vs tors. theta energy: 0.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 273 Temperature: 0.900000 Total energy: -44.336190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.336190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.336190 (E_RNA) where: Base-Base interactions energy: -17.599 where: short stacking energy: -17.599 Base-Backbone interact. energy: -0.004 local terms energy: -26.733050 where: bonds (distance) C4'-P energy: -5.199 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -6.344 flat angles P-C4'-P energy: -3.809 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: 2, replica: 6 ===================================== Write number: 273 Temperature: 0.950000 Total energy: -37.998256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.998256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.998256 (E_RNA) where: Base-Base interactions energy: -14.221 where: short stacking energy: -14.221 Base-Backbone interact. energy: -0.026 local terms energy: -23.751704 where: bonds (distance) C4'-P energy: -5.651 bonds (distance) P-C4' energy: -4.460 flat angles C4'-P-C4' energy: -5.989 flat angles P-C4'-P energy: -4.583 tors. eta vs tors. theta energy: -3.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 273 Temperature: 1.000000 Total energy: -35.520954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.520954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.520954 (E_RNA) where: Base-Base interactions energy: -11.414 where: short stacking energy: -11.414 Base-Backbone interact. energy: -0.000 local terms energy: -24.107019 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -4.581 flat angles P-C4'-P energy: -5.374 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: 4, replica: 2 ===================================== Write number: 273 Temperature: 1.050000 Total energy: -32.744344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.744344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.744344 (E_RNA) where: Base-Base interactions energy: -9.418 where: short stacking energy: -9.418 Base-Backbone interact. energy: -0.045 local terms energy: -23.281754 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -4.017 flat angles P-C4'-P energy: -5.031 tors. eta vs tors. theta energy: -1.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 273 Temperature: 1.100000 Total energy: -35.806038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.806038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.806038 (E_RNA) where: Base-Base interactions energy: -11.789 where: short stacking energy: -11.789 Base-Backbone interact. energy: -0.000 local terms energy: -24.016623 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -4.454 flat angles P-C4'-P energy: -2.405 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: 6, replica: 9 ===================================== Write number: 273 Temperature: 1.150000 Total energy: -33.547750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.547750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.547750 (E_RNA) where: Base-Base interactions energy: -13.675 where: short stacking energy: -13.675 Base-Backbone interact. energy: -0.064 local terms energy: -19.808516 where: bonds (distance) C4'-P energy: -4.238 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -4.157 flat angles P-C4'-P energy: -3.756 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: 7, replica: 3 ===================================== Write number: 273 Temperature: 1.200000 Total energy: -28.662460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.662460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.662460 (E_RNA) where: Base-Base interactions energy: -6.543 where: short stacking energy: -6.543 Base-Backbone interact. energy: -0.176 local terms energy: -21.943207 where: bonds (distance) C4'-P energy: -4.508 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -6.011 flat angles P-C4'-P energy: -4.245 tors. eta vs tors. theta energy: -0.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 273 Temperature: 1.250000 Total energy: -34.417797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.417797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.417797 (E_RNA) where: Base-Base interactions energy: -13.054 where: short stacking energy: -13.054 Base-Backbone interact. energy: -0.000 local terms energy: -21.363915 where: bonds (distance) C4'-P energy: -5.117 bonds (distance) P-C4' energy: -5.767 flat angles C4'-P-C4' energy: -4.360 flat angles P-C4'-P energy: -4.026 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: 9, replica: 5 ===================================== Write number: 273 Temperature: 1.300000 Total energy: -28.797593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.797593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.797593 (E_RNA) where: Base-Base interactions energy: -9.410 where: short stacking energy: -9.410 Base-Backbone interact. energy: -0.000 local terms energy: -19.387885 where: bonds (distance) C4'-P energy: -3.680 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.811 flat angles P-C4'-P energy: -4.114 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: 10, replica: 8 ===================================== Write number: 273 Temperature: 1.350000 Total energy: -33.397510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.397510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.397510 (E_RNA) where: Base-Base interactions energy: -8.725 where: short stacking energy: -8.725 Base-Backbone interact. energy: -0.000 local terms energy: -24.672021 where: bonds (distance) C4'-P energy: -4.223 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -6.357 flat angles P-C4'-P energy: -2.972 tors. eta vs tors. theta energy: -4.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 274 Temperature: 0.900000 Total energy: -40.134208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.134208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.134208 (E_RNA) where: Base-Base interactions energy: -13.085 where: short stacking energy: -13.085 Base-Backbone interact. energy: -0.005 local terms energy: -27.043552 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -5.887 flat angles P-C4'-P energy: -5.181 tors. eta vs tors. theta energy: -2.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 274 Temperature: 0.950000 Total energy: -35.934167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.934167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.934167 (E_RNA) where: Base-Base interactions energy: -10.691 where: short stacking energy: -10.691 Base-Backbone interact. energy: -0.053 local terms energy: -25.189367 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.904 flat angles P-C4'-P energy: -4.795 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: 3, replica: 2 ===================================== Write number: 274 Temperature: 1.000000 Total energy: -41.314227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.314227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.314227 (E_RNA) where: Base-Base interactions energy: -14.879 where: short stacking energy: -14.879 Base-Backbone interact. energy: -0.000 local terms energy: -26.435469 where: bonds (distance) C4'-P energy: -4.516 bonds (distance) P-C4' energy: -6.199 flat angles C4'-P-C4' energy: -6.328 flat angles P-C4'-P energy: -4.548 tors. eta vs tors. theta energy: -4.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 274 Temperature: 1.050000 Total energy: -35.790102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.790102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.790102 (E_RNA) where: Base-Base interactions energy: -13.077 where: short stacking energy: -13.531 Base-Backbone interact. energy: -0.513 local terms energy: -22.199856 where: bonds (distance) C4'-P energy: -5.543 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -4.722 flat angles P-C4'-P energy: -3.965 tors. eta vs tors. theta energy: -1.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 274 Temperature: 1.100000 Total energy: -34.234678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.234678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.234678 (E_RNA) where: Base-Base interactions energy: -10.436 where: short stacking energy: -10.436 Base-Backbone interact. energy: -0.115 local terms energy: -23.683394 where: bonds (distance) C4'-P energy: -4.789 bonds (distance) P-C4' energy: -5.868 flat angles C4'-P-C4' energy: -5.897 flat angles P-C4'-P energy: -5.380 tors. eta vs tors. theta energy: -1.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 274 Temperature: 1.150000 Total energy: -34.220472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.220472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.220472 (E_RNA) where: Base-Base interactions energy: -10.560 where: short stacking energy: -10.560 Base-Backbone interact. energy: -0.088 local terms energy: -23.572930 where: bonds (distance) C4'-P energy: -5.191 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -4.712 flat angles P-C4'-P energy: -4.923 tors. eta vs tors. theta energy: -2.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 274 Temperature: 1.200000 Total energy: -32.347275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.347275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.347275 (E_RNA) where: Base-Base interactions energy: -11.295 where: short stacking energy: -11.295 Base-Backbone interact. energy: -0.000 local terms energy: -21.052510 where: bonds (distance) C4'-P energy: -4.570 bonds (distance) P-C4' energy: -5.065 flat angles C4'-P-C4' energy: -5.332 flat angles P-C4'-P energy: -3.603 tors. eta vs tors. theta energy: -2.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 274 Temperature: 1.250000 Total energy: -34.700371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.700371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.700371 (E_RNA) where: Base-Base interactions energy: -11.966 where: short stacking energy: -11.966 Base-Backbone interact. energy: -0.000 local terms energy: -22.734311 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -6.417 flat angles C4'-P-C4' energy: -5.022 flat angles P-C4'-P energy: -3.373 tors. eta vs tors. theta energy: -2.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 274 Temperature: 1.300000 Total energy: -30.129115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.129115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.129115 (E_RNA) where: Base-Base interactions energy: -9.943 where: short stacking energy: -9.943 Base-Backbone interact. energy: -0.233 local terms energy: -19.953367 where: bonds (distance) C4'-P energy: -4.682 bonds (distance) P-C4' energy: -5.466 flat angles C4'-P-C4' energy: -4.897 flat angles P-C4'-P energy: -4.961 tors. eta vs tors. theta energy: 0.052 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: 10, replica: 5 ===================================== Write number: 274 Temperature: 1.350000 Total energy: -33.893682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.893682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.893682 (E_RNA) where: Base-Base interactions energy: -11.875 where: short stacking energy: -11.875 Base-Backbone interact. energy: -0.001 local terms energy: -22.017127 where: bonds (distance) C4'-P energy: -4.897 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -3.119 flat angles P-C4'-P energy: -4.374 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: 1, replica: 6 ===================================== Write number: 275 Temperature: 0.900000 Total energy: -42.405882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.405882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.405882 (E_RNA) where: Base-Base interactions energy: -15.538 where: short stacking energy: -15.538 Base-Backbone interact. energy: -0.000 local terms energy: -26.867747 where: bonds (distance) C4'-P energy: -5.117 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -4.408 flat angles P-C4'-P energy: -4.094 tors. eta vs tors. theta energy: -6.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 275 Temperature: 0.950000 Total energy: -41.045864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.045864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.045864 (E_RNA) where: Base-Base interactions energy: -13.683 where: short stacking energy: -13.683 Base-Backbone interact. energy: -0.000 local terms energy: -27.362911 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -6.392 flat angles C4'-P-C4' energy: -5.198 flat angles P-C4'-P energy: -4.067 tors. eta vs tors. theta energy: -5.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 275 Temperature: 1.000000 Total energy: -38.478579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.478579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.478579 (E_RNA) where: Base-Base interactions energy: -15.786 where: short stacking energy: -15.786 Base-Backbone interact. energy: -0.003 local terms energy: -22.689825 where: bonds (distance) C4'-P energy: -5.021 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -3.740 flat angles P-C4'-P energy: -3.774 tors. eta vs tors. theta energy: -3.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 275 Temperature: 1.050000 Total energy: -36.565456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.565456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.565456 (E_RNA) where: Base-Base interactions energy: -15.742 where: short stacking energy: -15.742 Base-Backbone interact. energy: -0.006 local terms energy: -20.817053 where: bonds (distance) C4'-P energy: -2.562 bonds (distance) P-C4' energy: -5.110 flat angles C4'-P-C4' energy: -5.065 flat angles P-C4'-P energy: -5.126 tors. eta vs tors. theta energy: -2.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 275 Temperature: 1.100000 Total energy: -33.762568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.762568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.762568 (E_RNA) where: Base-Base interactions energy: -11.716 where: short stacking energy: -11.716 Base-Backbone interact. energy: -0.002 local terms energy: -22.044973 where: bonds (distance) C4'-P energy: -5.473 bonds (distance) P-C4' energy: -5.448 flat angles C4'-P-C4' energy: -6.240 flat angles P-C4'-P energy: -3.260 tors. eta vs tors. theta energy: -1.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 275 Temperature: 1.150000 Total energy: -37.263092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.263092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.263092 (E_RNA) where: Base-Base interactions energy: -15.001 where: short stacking energy: -15.001 Base-Backbone interact. energy: -0.000 local terms energy: -22.261102 where: bonds (distance) C4'-P energy: -2.529 bonds (distance) P-C4' energy: -4.917 flat angles C4'-P-C4' energy: -4.814 flat angles P-C4'-P energy: -4.461 tors. eta vs tors. theta energy: -5.540 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: 7, replica: 10 ===================================== Write number: 275 Temperature: 1.200000 Total energy: -27.924565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.924565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.924565 (E_RNA) where: Base-Base interactions energy: -7.972 where: short stacking energy: -7.972 Base-Backbone interact. energy: -0.073 local terms energy: -19.879601 where: bonds (distance) C4'-P energy: -5.128 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -3.411 flat angles P-C4'-P energy: -4.677 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: 8, replica: 8 ===================================== Write number: 275 Temperature: 1.250000 Total energy: -28.623421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.623421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.623421 (E_RNA) where: Base-Base interactions energy: -9.616 where: short stacking energy: -9.616 Base-Backbone interact. energy: -0.179 local terms energy: -18.828545 where: bonds (distance) C4'-P energy: -4.177 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -4.796 flat angles P-C4'-P energy: -3.579 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: 3 ===================================== Write number: 275 Temperature: 1.300000 Total energy: -32.279398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.279398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.279398 (E_RNA) where: Base-Base interactions energy: -9.903 where: short stacking energy: -9.903 Base-Backbone interact. energy: -0.000 local terms energy: -22.376567 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -4.155 flat angles C4'-P-C4' energy: -5.583 flat angles P-C4'-P energy: -3.812 tors. eta vs tors. theta energy: -3.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 275 Temperature: 1.350000 Total energy: -31.111393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.111393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.111393 (E_RNA) where: Base-Base interactions energy: -14.386 where: short stacking energy: -14.386 Base-Backbone interact. energy: -0.049 local terms energy: -16.675602 where: bonds (distance) C4'-P energy: -4.985 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -2.645 flat angles P-C4'-P energy: -1.924 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: 2 ===================================== Write number: 276 Temperature: 0.900000 Total energy: -35.775831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.775831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.775831 (E_RNA) where: Base-Base interactions energy: -10.538 where: short stacking energy: -10.538 Base-Backbone interact. energy: -0.093 local terms energy: -25.144865 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -5.892 flat angles C4'-P-C4' energy: -5.847 flat angles P-C4'-P energy: -4.468 tors. eta vs tors. theta energy: -3.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 276 Temperature: 0.950000 Total energy: -39.589063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.589063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.589063 (E_RNA) where: Base-Base interactions energy: -14.615 where: short stacking energy: -14.615 Base-Backbone interact. energy: -0.000 local terms energy: -24.973337 where: bonds (distance) C4'-P energy: -5.688 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -3.400 flat angles P-C4'-P energy: -5.190 tors. eta vs tors. theta energy: -4.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 276 Temperature: 1.000000 Total energy: -37.094792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.094792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.094792 (E_RNA) where: Base-Base interactions energy: -13.722 where: short stacking energy: -13.722 Base-Backbone interact. energy: -0.000 local terms energy: -23.373150 where: bonds (distance) C4'-P energy: -5.055 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -5.060 flat angles P-C4'-P energy: -4.084 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: 4 ===================================== Write number: 276 Temperature: 1.050000 Total energy: -34.355264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.355264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.355264 (E_RNA) where: Base-Base interactions energy: -12.432 where: short stacking energy: -12.432 Base-Backbone interact. energy: -0.023 local terms energy: -21.900480 where: bonds (distance) C4'-P energy: -5.501 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -5.395 flat angles P-C4'-P energy: -4.170 tors. eta vs tors. theta energy: -0.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 276 Temperature: 1.100000 Total energy: -34.920120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.920120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.920120 (E_RNA) where: Base-Base interactions energy: -10.965 where: short stacking energy: -10.965 Base-Backbone interact. energy: -0.001 local terms energy: -23.954661 where: bonds (distance) C4'-P energy: -3.241 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -6.434 flat angles P-C4'-P energy: -4.517 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: 6, replica: 1 ===================================== Write number: 276 Temperature: 1.150000 Total energy: -34.021495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.021495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.021495 (E_RNA) where: Base-Base interactions energy: -12.202 where: short stacking energy: -12.202 Base-Backbone interact. energy: -0.002 local terms energy: -21.817646 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -5.448 flat angles C4'-P-C4' energy: -6.259 flat angles P-C4'-P energy: -3.076 tors. eta vs tors. theta energy: -1.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 276 Temperature: 1.200000 Total energy: -30.445743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.445743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.445743 (E_RNA) where: Base-Base interactions energy: -8.182 where: short stacking energy: -8.182 Base-Backbone interact. energy: -0.001 local terms energy: -22.263282 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -6.382 flat angles C4'-P-C4' energy: -5.047 flat angles P-C4'-P energy: -4.661 tors. eta vs tors. theta energy: -0.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 276 Temperature: 1.250000 Total energy: -33.511868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.511868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.511868 (E_RNA) where: Base-Base interactions energy: -10.921 where: short stacking energy: -11.086 Base-Backbone interact. energy: -0.002 local terms energy: -22.588217 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -5.092 flat angles C4'-P-C4' energy: -5.855 flat angles P-C4'-P energy: -3.144 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: 5 ===================================== Write number: 276 Temperature: 1.300000 Total energy: -28.775104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.775104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.775104 (E_RNA) where: Base-Base interactions energy: -9.216 where: short stacking energy: -9.216 Base-Backbone interact. energy: -0.000 local terms energy: -19.558867 where: bonds (distance) C4'-P energy: -5.191 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.865 flat angles P-C4'-P energy: -1.465 tors. eta vs tors. theta energy: -1.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 276 Temperature: 1.350000 Total energy: -29.017617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.017617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.017617 (E_RNA) where: Base-Base interactions energy: -9.564 where: short stacking energy: -9.564 Base-Backbone interact. energy: -0.011 local terms energy: -19.442384 where: bonds (distance) C4'-P energy: -3.244 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -5.725 flat angles P-C4'-P energy: -2.681 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: 1, replica: 2 ===================================== Write number: 277 Temperature: 0.900000 Total energy: -39.693742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.693742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.693742 (E_RNA) where: Base-Base interactions energy: -15.200 where: short stacking energy: -15.200 Base-Backbone interact. energy: -0.002 local terms energy: -24.492188 where: bonds (distance) C4'-P energy: -4.035 bonds (distance) P-C4' energy: -6.392 flat angles C4'-P-C4' energy: -5.937 flat angles P-C4'-P energy: -4.949 tors. eta vs tors. theta energy: -3.178 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: 2, replica: 6 ===================================== Write number: 277 Temperature: 0.950000 Total energy: -35.879122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.879122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.879122 (E_RNA) where: Base-Base interactions energy: -10.608 where: short stacking energy: -10.608 Base-Backbone interact. energy: -0.008 local terms energy: -25.262887 where: bonds (distance) C4'-P energy: -5.750 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.168 flat angles P-C4'-P energy: -5.316 tors. eta vs tors. theta energy: -2.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 277 Temperature: 1.000000 Total energy: -39.345358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.345358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.345358 (E_RNA) where: Base-Base interactions energy: -12.977 where: short stacking energy: -12.977 Base-Backbone interact. energy: -0.000 local terms energy: -26.368316 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -5.336 flat angles C4'-P-C4' energy: -5.480 flat angles P-C4'-P energy: -3.210 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: 4, replica: 7 ===================================== Write number: 277 Temperature: 1.050000 Total energy: -38.616642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.616642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.616642 (E_RNA) where: Base-Base interactions energy: -11.769 where: short stacking energy: -11.769 Base-Backbone interact. energy: -0.000 local terms energy: -26.847119 where: bonds (distance) C4'-P energy: -6.354 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -5.330 flat angles P-C4'-P energy: -2.841 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: 5, replica: 4 ===================================== Write number: 277 Temperature: 1.100000 Total energy: -33.866468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.866468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.866468 (E_RNA) where: Base-Base interactions energy: -8.549 where: short stacking energy: -8.549 Base-Backbone interact. energy: -0.064 local terms energy: -25.253247 where: bonds (distance) C4'-P energy: -5.651 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -5.589 flat angles P-C4'-P energy: -5.128 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: 6, replica: 8 ===================================== Write number: 277 Temperature: 1.150000 Total energy: -35.453654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.453654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.453654 (E_RNA) where: Base-Base interactions energy: -13.410 where: short stacking energy: -13.410 Base-Backbone interact. energy: -0.033 local terms energy: -22.010650 where: bonds (distance) C4'-P energy: -3.928 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -6.058 flat angles P-C4'-P energy: -3.323 tors. eta vs tors. theta energy: -2.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 277 Temperature: 1.200000 Total energy: -36.769086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.769086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.769086 (E_RNA) where: Base-Base interactions energy: -16.136 where: short stacking energy: -16.136 Base-Backbone interact. energy: -0.001 local terms energy: -20.632039 where: bonds (distance) C4'-P energy: -4.761 bonds (distance) P-C4' energy: -4.276 flat angles C4'-P-C4' energy: -5.651 flat angles P-C4'-P energy: -3.833 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: 8, replica: 5 ===================================== Write number: 277 Temperature: 1.250000 Total energy: -32.114319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.114319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.114319 (E_RNA) where: Base-Base interactions energy: -8.608 where: short stacking energy: -8.608 Base-Backbone interact. energy: -0.000 local terms energy: -23.506204 where: bonds (distance) C4'-P energy: -4.603 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -6.348 flat angles P-C4'-P energy: -4.099 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: 9, replica: 10 ===================================== Write number: 277 Temperature: 1.300000 Total energy: -30.255112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.255112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.255112 (E_RNA) where: Base-Base interactions energy: -9.349 where: short stacking energy: -9.349 Base-Backbone interact. energy: -0.005 local terms energy: -20.900650 where: bonds (distance) C4'-P energy: -4.035 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -4.266 flat angles P-C4'-P energy: -4.670 tors. eta vs tors. theta energy: -1.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 277 Temperature: 1.350000 Total energy: -29.645077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.645077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.645077 (E_RNA) where: Base-Base interactions energy: -9.960 where: short stacking energy: -9.960 Base-Backbone interact. energy: -0.107 local terms energy: -19.578115 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -5.051 flat angles C4'-P-C4' energy: -4.977 flat angles P-C4'-P energy: -4.870 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: 278 Temperature: 0.900000 Total energy: -37.212617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.212617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.212617 (E_RNA) where: Base-Base interactions energy: -12.850 where: short stacking energy: -12.850 Base-Backbone interact. energy: -0.023 local terms energy: -24.339420 where: bonds (distance) C4'-P energy: -4.988 bonds (distance) P-C4' energy: -4.688 flat angles C4'-P-C4' energy: -5.376 flat angles P-C4'-P energy: -5.068 tors. eta vs tors. theta energy: -4.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 278 Temperature: 0.950000 Total energy: -36.715238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.715238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.715238 (E_RNA) where: Base-Base interactions energy: -13.770 where: short stacking energy: -13.770 Base-Backbone interact. energy: -0.000 local terms energy: -22.944959 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -4.140 flat angles C4'-P-C4' energy: -5.504 flat angles P-C4'-P energy: -2.429 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: 3, replica: 9 ===================================== Write number: 278 Temperature: 1.000000 Total energy: -38.225755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.225755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.225755 (E_RNA) where: Base-Base interactions energy: -13.235 where: short stacking energy: -13.235 Base-Backbone interact. energy: -0.049 local terms energy: -24.941897 where: bonds (distance) C4'-P energy: -3.828 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -6.197 flat angles P-C4'-P energy: -2.920 tors. eta vs tors. theta energy: -5.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 278 Temperature: 1.050000 Total energy: -32.502810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.502810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.502810 (E_RNA) where: Base-Base interactions energy: -10.208 where: short stacking energy: -10.208 Base-Backbone interact. energy: -0.063 local terms energy: -22.232726 where: bonds (distance) C4'-P energy: -4.975 bonds (distance) P-C4' energy: -4.131 flat angles C4'-P-C4' energy: -5.619 flat angles P-C4'-P energy: -5.056 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: 5, replica: 4 ===================================== Write number: 278 Temperature: 1.100000 Total energy: -32.996818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.996818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.996818 (E_RNA) where: Base-Base interactions energy: -11.515 where: short stacking energy: -11.515 Base-Backbone interact. energy: -0.018 local terms energy: -21.464425 where: bonds (distance) C4'-P energy: -3.430 bonds (distance) P-C4' energy: -4.914 flat angles C4'-P-C4' energy: -5.095 flat angles P-C4'-P energy: -4.062 tors. eta vs tors. theta energy: -3.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 278 Temperature: 1.150000 Total energy: -33.169579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.169579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.169579 (E_RNA) where: Base-Base interactions energy: -13.290 where: short stacking energy: -13.290 Base-Backbone interact. energy: -0.128 local terms energy: -19.751145 where: bonds (distance) C4'-P energy: -4.126 bonds (distance) P-C4' energy: -6.382 flat angles C4'-P-C4' energy: -4.561 flat angles P-C4'-P energy: -0.684 tors. eta vs tors. theta energy: -3.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 278 Temperature: 1.200000 Total energy: -32.813044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.813044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.813044 (E_RNA) where: Base-Base interactions energy: -10.189 where: short stacking energy: -10.189 Base-Backbone interact. energy: -0.004 local terms energy: -22.620087 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -4.530 flat angles P-C4'-P energy: -2.014 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: 8, replica: 1 ===================================== Write number: 278 Temperature: 1.250000 Total energy: -33.000925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.000925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.000925 (E_RNA) where: Base-Base interactions energy: -10.897 where: short stacking energy: -10.897 Base-Backbone interact. energy: -0.000 local terms energy: -22.103924 where: bonds (distance) C4'-P energy: -4.665 bonds (distance) P-C4' energy: -5.674 flat angles C4'-P-C4' energy: -4.461 flat angles P-C4'-P energy: -3.565 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: 3 ===================================== Write number: 278 Temperature: 1.300000 Total energy: -34.071128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.071128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.071128 (E_RNA) where: Base-Base interactions energy: -12.069 where: short stacking energy: -12.069 Base-Backbone interact. energy: -0.000 local terms energy: -22.002459 where: bonds (distance) C4'-P energy: -5.368 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -5.450 flat angles P-C4'-P energy: 0.483 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: 10, replica: 10 ===================================== Write number: 278 Temperature: 1.350000 Total energy: -32.429932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.429932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.429932 (E_RNA) where: Base-Base interactions energy: -8.005 where: short stacking energy: -8.005 Base-Backbone interact. energy: -0.033 local terms energy: -24.392372 where: bonds (distance) C4'-P energy: -5.252 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -5.268 flat angles P-C4'-P energy: -4.505 tors. eta vs tors. theta energy: -2.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 279 Temperature: 0.900000 Total energy: -38.271729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.271729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.271729 (E_RNA) where: Base-Base interactions energy: -17.616 where: short stacking energy: -17.616 Base-Backbone interact. energy: -0.051 local terms energy: -20.605128 where: bonds (distance) C4'-P energy: -5.650 bonds (distance) P-C4' energy: -5.730 flat angles C4'-P-C4' energy: -4.130 flat angles P-C4'-P energy: -4.032 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: 2, replica: 9 ===================================== Write number: 279 Temperature: 0.950000 Total energy: -39.220054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.220054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.220054 (E_RNA) where: Base-Base interactions energy: -13.770 where: short stacking energy: -13.770 Base-Backbone interact. energy: -0.001 local terms energy: -25.448529 where: bonds (distance) C4'-P energy: -4.316 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -5.288 flat angles P-C4'-P energy: -5.007 tors. eta vs tors. theta energy: -4.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 279 Temperature: 1.000000 Total energy: -39.210812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.210812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.210812 (E_RNA) where: Base-Base interactions energy: -17.761 where: short stacking energy: -17.761 Base-Backbone interact. energy: -0.000 local terms energy: -21.449714 where: bonds (distance) C4'-P energy: -5.456 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.312 flat angles P-C4'-P energy: -2.594 tors. eta vs tors. theta energy: -2.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 279 Temperature: 1.050000 Total energy: -34.960395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.960395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.960395 (E_RNA) where: Base-Base interactions energy: -13.822 where: short stacking energy: -13.822 Base-Backbone interact. energy: -0.001 local terms energy: -21.137347 where: bonds (distance) C4'-P energy: -4.496 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -4.886 flat angles P-C4'-P energy: -2.540 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: 5, replica: 7 ===================================== Write number: 279 Temperature: 1.100000 Total energy: -32.703072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.703072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.703072 (E_RNA) where: Base-Base interactions energy: -12.129 where: short stacking energy: -12.129 Base-Backbone interact. energy: -0.000 local terms energy: -20.573631 where: bonds (distance) C4'-P energy: -4.006 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -2.981 flat angles P-C4'-P energy: -3.730 tors. eta vs tors. theta energy: -3.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 279 Temperature: 1.150000 Total energy: -29.758050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.758050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.758050 (E_RNA) where: Base-Base interactions energy: -10.326 where: short stacking energy: -10.326 Base-Backbone interact. energy: -0.024 local terms energy: -19.408570 where: bonds (distance) C4'-P energy: -4.160 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -3.590 flat angles P-C4'-P energy: -3.473 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: 7, replica: 8 ===================================== Write number: 279 Temperature: 1.200000 Total energy: -32.645029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.645029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.645029 (E_RNA) where: Base-Base interactions energy: -9.704 where: short stacking energy: -9.704 Base-Backbone interact. energy: -0.002 local terms energy: -22.939513 where: bonds (distance) C4'-P energy: -5.357 bonds (distance) P-C4' energy: -6.445 flat angles C4'-P-C4' energy: -5.760 flat angles P-C4'-P energy: -4.437 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: 8, replica: 3 ===================================== Write number: 279 Temperature: 1.250000 Total energy: -32.373198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.373198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.373198 (E_RNA) where: Base-Base interactions energy: -13.120 where: short stacking energy: -13.120 Base-Backbone interact. energy: -0.016 local terms energy: -19.236804 where: bonds (distance) C4'-P energy: -4.367 bonds (distance) P-C4' energy: -5.336 flat angles C4'-P-C4' energy: -3.136 flat angles P-C4'-P energy: -3.646 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: 9, replica: 1 ===================================== Write number: 279 Temperature: 1.300000 Total energy: -32.322657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.322657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.322657 (E_RNA) where: Base-Base interactions energy: -16.290 where: short stacking energy: -16.290 Base-Backbone interact. energy: -0.116 local terms energy: -15.916493 where: bonds (distance) C4'-P energy: 0.082 bonds (distance) P-C4' energy: -6.156 flat angles C4'-P-C4' energy: -5.813 flat angles P-C4'-P energy: -1.820 tors. eta vs tors. theta energy: -2.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 279 Temperature: 1.350000 Total energy: -29.969739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.969739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.969739 (E_RNA) where: Base-Base interactions energy: -10.208 where: short stacking energy: -10.208 Base-Backbone interact. energy: -0.009 local terms energy: -19.753648 where: bonds (distance) C4'-P energy: -5.882 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -3.610 flat angles P-C4'-P energy: -2.574 tors. eta vs tors. theta energy: -0.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 280 Temperature: 0.900000 Total energy: -38.204334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.204334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.204334 (E_RNA) where: Base-Base interactions energy: -14.246 where: short stacking energy: -14.246 Base-Backbone interact. energy: -0.035 local terms energy: -23.923008 where: bonds (distance) C4'-P energy: -4.747 bonds (distance) P-C4' energy: -6.174 flat angles C4'-P-C4' energy: -6.014 flat angles P-C4'-P energy: -3.816 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: 2, replica: 6 ===================================== Write number: 280 Temperature: 0.950000 Total energy: -40.793200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.793200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.793200 (E_RNA) where: Base-Base interactions energy: -14.095 where: short stacking energy: -14.095 Base-Backbone interact. energy: -0.100 local terms energy: -26.598550 where: bonds (distance) C4'-P energy: -5.982 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -6.182 flat angles P-C4'-P energy: -4.243 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: 3, replica: 4 ===================================== Write number: 280 Temperature: 1.000000 Total energy: -38.107711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.107711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.107711 (E_RNA) where: Base-Base interactions energy: -13.392 where: short stacking energy: -13.392 Base-Backbone interact. energy: -0.000 local terms energy: -24.715762 where: bonds (distance) C4'-P energy: -4.548 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.425 flat angles P-C4'-P energy: -2.706 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: 4, replica: 2 ===================================== Write number: 280 Temperature: 1.050000 Total energy: -35.103539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.103539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.103539 (E_RNA) where: Base-Base interactions energy: -12.748 where: short stacking energy: -12.748 Base-Backbone interact. energy: -0.075 local terms energy: -22.280588 where: bonds (distance) C4'-P energy: -3.042 bonds (distance) P-C4' energy: -5.767 flat angles C4'-P-C4' energy: -5.500 flat angles P-C4'-P energy: -5.008 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: 5, replica: 7 ===================================== Write number: 280 Temperature: 1.100000 Total energy: -30.865449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.865449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.865449 (E_RNA) where: Base-Base interactions energy: -9.157 where: short stacking energy: -9.157 Base-Backbone interact. energy: -0.105 local terms energy: -21.603382 where: bonds (distance) C4'-P energy: -4.161 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -4.143 flat angles P-C4'-P energy: -4.644 tors. eta vs tors. theta energy: -1.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 280 Temperature: 1.150000 Total energy: -33.021098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.021098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.021098 (E_RNA) where: Base-Base interactions energy: -8.545 where: short stacking energy: -8.545 Base-Backbone interact. energy: -0.047 local terms energy: -24.429008 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -6.389 flat angles C4'-P-C4' energy: -5.809 flat angles P-C4'-P energy: -4.262 tors. eta vs tors. theta energy: -2.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 280 Temperature: 1.200000 Total energy: -31.949671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.949671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.949671 (E_RNA) where: Base-Base interactions energy: -14.450 where: short stacking energy: -14.450 Base-Backbone interact. energy: -0.000 local terms energy: -17.499793 where: bonds (distance) C4'-P energy: -5.037 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -3.819 flat angles P-C4'-P energy: -0.471 tors. eta vs tors. theta energy: -1.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 280 Temperature: 1.250000 Total energy: -34.049937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.049937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.049937 (E_RNA) where: Base-Base interactions energy: -13.545 where: short stacking energy: -13.545 Base-Backbone interact. energy: -0.043 local terms energy: -20.462069 where: bonds (distance) C4'-P energy: -4.254 bonds (distance) P-C4' energy: -4.681 flat angles C4'-P-C4' energy: -5.528 flat angles P-C4'-P energy: -3.836 tors. eta vs tors. theta energy: -2.163 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: 1 ===================================== Write number: 280 Temperature: 1.300000 Total energy: -28.471013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.471013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.471013 (E_RNA) where: Base-Base interactions energy: -7.318 where: short stacking energy: -7.318 Base-Backbone interact. energy: -0.065 local terms energy: -21.088822 where: bonds (distance) C4'-P energy: -5.998 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -5.885 flat angles P-C4'-P energy: -3.382 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: 10, replica: 10 ===================================== Write number: 280 Temperature: 1.350000 Total energy: -28.894845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.894845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.894845 (E_RNA) where: Base-Base interactions energy: -9.972 where: short stacking energy: -9.972 Base-Backbone interact. energy: -0.080 local terms energy: -18.842366 where: bonds (distance) C4'-P energy: -4.499 bonds (distance) P-C4' energy: -6.174 flat angles C4'-P-C4' energy: -4.969 flat angles P-C4'-P energy: -2.381 tors. eta vs tors. theta energy: -0.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 281 Temperature: 0.900000 Total energy: -38.593214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.593214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.593214 (E_RNA) where: Base-Base interactions energy: -16.166 where: short stacking energy: -16.166 Base-Backbone interact. energy: -0.007 local terms energy: -22.419679 where: bonds (distance) C4'-P energy: -4.905 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -3.981 flat angles P-C4'-P energy: -3.604 tors. eta vs tors. theta energy: -3.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 281 Temperature: 0.950000 Total energy: -38.712771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.712771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.712771 (E_RNA) where: Base-Base interactions energy: -15.649 where: short stacking energy: -15.649 Base-Backbone interact. energy: -0.039 local terms energy: -23.024595 where: bonds (distance) C4'-P energy: -5.501 bonds (distance) P-C4' energy: -4.202 flat angles C4'-P-C4' energy: -5.673 flat angles P-C4'-P energy: -5.064 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: 3, replica: 4 ===================================== Write number: 281 Temperature: 1.000000 Total energy: -39.494920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.494920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.494920 (E_RNA) where: Base-Base interactions energy: -14.553 where: short stacking energy: -14.553 Base-Backbone interact. energy: -0.073 local terms energy: -24.869471 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -6.118 flat angles C4'-P-C4' energy: -6.479 flat angles P-C4'-P energy: -2.598 tors. eta vs tors. theta energy: -3.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 281 Temperature: 1.050000 Total energy: -37.108644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.108644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.108644 (E_RNA) where: Base-Base interactions energy: -14.466 where: short stacking energy: -14.466 Base-Backbone interact. energy: -0.136 local terms energy: -22.506605 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -2.936 flat angles P-C4'-P energy: -4.454 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: 5, replica: 2 ===================================== Write number: 281 Temperature: 1.100000 Total energy: -31.123832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.123832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.123832 (E_RNA) where: Base-Base interactions energy: -8.789 where: short stacking energy: -9.512 Base-Backbone interact. energy: -0.053 local terms energy: -22.281755 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -5.151 flat angles P-C4'-P energy: -4.341 tors. eta vs tors. theta energy: -0.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 281 Temperature: 1.150000 Total energy: -39.291313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.291313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.291313 (E_RNA) where: Base-Base interactions energy: -13.581 where: short stacking energy: -13.581 Base-Backbone interact. energy: -0.000 local terms energy: -25.710091 where: bonds (distance) C4'-P energy: -5.306 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -6.146 flat angles P-C4'-P energy: -3.915 tors. eta vs tors. theta energy: -4.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 281 Temperature: 1.200000 Total energy: -37.696941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.696941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.696941 (E_RNA) where: Base-Base interactions energy: -11.338 where: short stacking energy: -11.338 Base-Backbone interact. energy: -0.000 local terms energy: -26.358370 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -5.410 flat angles P-C4'-P energy: -3.369 tors. eta vs tors. theta energy: -6.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 281 Temperature: 1.250000 Total energy: -32.712799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.712799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.712799 (E_RNA) where: Base-Base interactions energy: -12.073 where: short stacking energy: -12.073 Base-Backbone interact. energy: -0.010 local terms energy: -20.629507 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -3.673 flat angles P-C4'-P energy: -3.001 tors. eta vs tors. theta energy: -0.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 281 Temperature: 1.300000 Total energy: -31.734994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.734994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.734994 (E_RNA) where: Base-Base interactions energy: -8.540 where: short stacking energy: -7.411 Base-Backbone interact. energy: -0.000 local terms energy: -23.194497 where: bonds (distance) C4'-P energy: -4.797 bonds (distance) P-C4' energy: -5.530 flat angles C4'-P-C4' energy: -5.682 flat angles P-C4'-P energy: -3.149 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: 10, replica: 10 ===================================== Write number: 281 Temperature: 1.350000 Total energy: -31.948599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.948599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.948599 (E_RNA) where: Base-Base interactions energy: -12.959 where: short stacking energy: -12.959 Base-Backbone interact. energy: -0.000 local terms energy: -18.989185 where: bonds (distance) C4'-P energy: -2.429 bonds (distance) P-C4' energy: -6.625 flat angles C4'-P-C4' energy: -2.998 flat angles P-C4'-P energy: -4.142 tors. eta vs tors. theta energy: -2.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 282 Temperature: 0.900000 Total energy: -38.642762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.642762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.642762 (E_RNA) where: Base-Base interactions energy: -13.832 where: short stacking energy: -14.414 Base-Backbone interact. energy: -0.022 local terms energy: -24.789001 where: bonds (distance) C4'-P energy: -5.729 bonds (distance) P-C4' energy: -6.438 flat angles C4'-P-C4' energy: -5.572 flat angles P-C4'-P energy: -2.971 tors. eta vs tors. theta energy: -4.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 282 Temperature: 0.950000 Total energy: -38.888193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.888193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.888193 (E_RNA) where: Base-Base interactions energy: -12.830 where: short stacking energy: -12.830 Base-Backbone interact. energy: -0.131 local terms energy: -25.927691 where: bonds (distance) C4'-P energy: -5.998 bonds (distance) P-C4' energy: -7.144 flat angles C4'-P-C4' energy: -6.070 flat angles P-C4'-P energy: -3.724 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: 3, replica: 7 ===================================== Write number: 282 Temperature: 1.000000 Total energy: -34.389569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.389569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.389569 (E_RNA) where: Base-Base interactions energy: -11.799 where: short stacking energy: -11.799 Base-Backbone interact. energy: -0.057 local terms energy: -22.532923 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -5.144 flat angles P-C4'-P energy: -4.517 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: 4, replica: 4 ===================================== Write number: 282 Temperature: 1.050000 Total energy: -41.405048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.405048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.405048 (E_RNA) where: Base-Base interactions energy: -15.143 where: short stacking energy: -15.143 Base-Backbone interact. energy: -0.000 local terms energy: -26.261488 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -5.661 flat angles P-C4'-P energy: -2.859 tors. eta vs tors. theta energy: -5.217 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: 3 ===================================== Write number: 282 Temperature: 1.100000 Total energy: -39.502985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.502985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.502985 (E_RNA) where: Base-Base interactions energy: -15.373 where: short stacking energy: -15.373 Base-Backbone interact. energy: -0.006 local terms energy: -24.123781 where: bonds (distance) C4'-P energy: -5.484 bonds (distance) P-C4' energy: -4.677 flat angles C4'-P-C4' energy: -5.890 flat angles P-C4'-P energy: -4.350 tors. eta vs tors. theta energy: -3.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 282 Temperature: 1.150000 Total energy: -32.185899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.185899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.185899 (E_RNA) where: Base-Base interactions energy: -7.833 where: short stacking energy: -7.833 Base-Backbone interact. energy: -0.001 local terms energy: -24.351470 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -5.387 flat angles P-C4'-P energy: -4.590 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: 7, replica: 1 ===================================== Write number: 282 Temperature: 1.200000 Total energy: -32.923390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.923390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.923390 (E_RNA) where: Base-Base interactions energy: -14.268 where: short stacking energy: -14.268 Base-Backbone interact. energy: -0.011 local terms energy: -18.644334 where: bonds (distance) C4'-P energy: -5.572 bonds (distance) P-C4' energy: -3.352 flat angles C4'-P-C4' energy: -4.430 flat angles P-C4'-P energy: -1.481 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: 8, replica: 5 ===================================== Write number: 282 Temperature: 1.250000 Total energy: -35.331410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.331410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.331410 (E_RNA) where: Base-Base interactions energy: -12.587 where: short stacking energy: -12.587 Base-Backbone interact. energy: -0.101 local terms energy: -22.643062 where: bonds (distance) C4'-P energy: -5.456 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -3.189 flat angles P-C4'-P energy: -4.919 tors. eta vs tors. theta energy: -3.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 282 Temperature: 1.300000 Total energy: -30.794738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.794738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.794738 (E_RNA) where: Base-Base interactions energy: -8.530 where: short stacking energy: -8.530 Base-Backbone interact. energy: -0.000 local terms energy: -22.264261 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -5.830 flat angles C4'-P-C4' energy: -5.621 flat angles P-C4'-P energy: -3.485 tors. eta vs tors. theta energy: -1.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 282 Temperature: 1.350000 Total energy: -35.921385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.921385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.921385 (E_RNA) where: Base-Base interactions energy: -16.483 where: short stacking energy: -16.483 Base-Backbone interact. energy: -0.000 local terms energy: -19.438512 where: bonds (distance) C4'-P energy: -4.748 bonds (distance) P-C4' energy: -5.604 flat angles C4'-P-C4' energy: -4.093 flat angles P-C4'-P energy: -3.773 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: 1, replica: 9 ===================================== Write number: 283 Temperature: 0.900000 Total energy: -40.006997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.006997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.006997 (E_RNA) where: Base-Base interactions energy: -12.082 where: short stacking energy: -12.082 Base-Backbone interact. energy: -0.000 local terms energy: -27.924930 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -6.182 flat angles P-C4'-P energy: -4.089 tors. eta vs tors. theta energy: -5.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 283 Temperature: 0.950000 Total energy: -41.577357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.577357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.577357 (E_RNA) where: Base-Base interactions energy: -15.449 where: short stacking energy: -15.449 Base-Backbone interact. energy: -0.000 local terms energy: -26.128384 where: bonds (distance) C4'-P energy: -5.252 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -5.075 flat angles P-C4'-P energy: -4.850 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: 3, replica: 6 ===================================== Write number: 283 Temperature: 1.000000 Total energy: -39.939927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.939927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.939927 (E_RNA) where: Base-Base interactions energy: -14.059 where: short stacking energy: -14.059 Base-Backbone interact. energy: -0.000 local terms energy: -25.880934 where: bonds (distance) C4'-P energy: -4.624 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -5.373 flat angles P-C4'-P energy: -4.665 tors. eta vs tors. theta energy: -4.548 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: 3 ===================================== Write number: 283 Temperature: 1.050000 Total energy: -36.679635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.679635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.679635 (E_RNA) where: Base-Base interactions energy: -12.241 where: short stacking energy: -12.241 Base-Backbone interact. energy: -0.000 local terms energy: -24.438376 where: bonds (distance) C4'-P energy: -5.510 bonds (distance) P-C4' energy: -4.892 flat angles C4'-P-C4' energy: -4.533 flat angles P-C4'-P energy: -4.735 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: 5, replica: 4 ===================================== Write number: 283 Temperature: 1.100000 Total energy: -36.047130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.047130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.047130 (E_RNA) where: Base-Base interactions energy: -12.497 where: short stacking energy: -12.497 Base-Backbone interact. energy: -0.011 local terms energy: -23.539626 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -3.799 flat angles P-C4'-P energy: -4.403 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: 6, replica: 1 ===================================== Write number: 283 Temperature: 1.150000 Total energy: -31.536481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.536481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.536481 (E_RNA) where: Base-Base interactions energy: -9.427 where: short stacking energy: -9.427 Base-Backbone interact. energy: -0.000 local terms energy: -22.109833 where: bonds (distance) C4'-P energy: -2.865 bonds (distance) P-C4' energy: -6.442 flat angles C4'-P-C4' energy: -6.332 flat angles P-C4'-P energy: -2.698 tors. eta vs tors. theta energy: -3.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 283 Temperature: 1.200000 Total energy: -34.756711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.756711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.756711 (E_RNA) where: Base-Base interactions energy: -13.519 where: short stacking energy: -13.519 Base-Backbone interact. energy: -0.007 local terms energy: -21.231100 where: bonds (distance) C4'-P energy: -5.133 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -4.641 flat angles P-C4'-P energy: -4.107 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: 8, replica: 10 ===================================== Write number: 283 Temperature: 1.250000 Total energy: -32.919224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.919224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.919224 (E_RNA) where: Base-Base interactions energy: -10.102 where: short stacking energy: -10.102 Base-Backbone interact. energy: -0.005 local terms energy: -22.812655 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -4.409 flat angles P-C4'-P energy: -4.866 tors. eta vs tors. theta energy: -1.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 283 Temperature: 1.300000 Total energy: -31.046952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.046952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.046952 (E_RNA) where: Base-Base interactions energy: -10.801 where: short stacking energy: -10.801 Base-Backbone interact. energy: -0.000 local terms energy: -20.245624 where: bonds (distance) C4'-P energy: -6.354 bonds (distance) P-C4' energy: -5.534 flat angles C4'-P-C4' energy: -4.886 flat angles P-C4'-P energy: -2.822 tors. eta vs tors. theta energy: -0.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 283 Temperature: 1.350000 Total energy: -25.385820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.385820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.385820 (E_RNA) where: Base-Base interactions energy: -9.155 where: short stacking energy: -9.155 Base-Backbone interact. energy: -0.055 local terms energy: -16.176581 where: bonds (distance) C4'-P energy: -4.983 bonds (distance) P-C4' energy: -4.227 flat angles C4'-P-C4' energy: -4.725 flat angles P-C4'-P energy: -4.920 tors. eta vs tors. theta energy: 2.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 284 Temperature: 0.900000 Total energy: -34.396091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.396091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.396091 (E_RNA) where: Base-Base interactions energy: -12.818 where: short stacking energy: -12.818 Base-Backbone interact. energy: -0.018 local terms energy: -21.560008 where: bonds (distance) C4'-P energy: -5.357 bonds (distance) P-C4' energy: -6.203 flat angles C4'-P-C4' energy: -3.564 flat angles P-C4'-P energy: -3.307 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: 2, replica: 9 ===================================== Write number: 284 Temperature: 0.950000 Total energy: -31.888085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.888085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.888085 (E_RNA) where: Base-Base interactions energy: -9.323 where: short stacking energy: -9.323 Base-Backbone interact. energy: -0.002 local terms energy: -22.562874 where: bonds (distance) C4'-P energy: -6.354 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -5.850 flat angles P-C4'-P energy: -3.339 tors. eta vs tors. theta energy: -0.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 284 Temperature: 1.000000 Total energy: -37.270140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.270140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.270140 (E_RNA) where: Base-Base interactions energy: -12.010 where: short stacking energy: -12.010 Base-Backbone interact. energy: -0.001 local terms energy: -25.259182 where: bonds (distance) C4'-P energy: -5.837 bonds (distance) P-C4' energy: -6.432 flat angles C4'-P-C4' energy: -5.803 flat angles P-C4'-P energy: -4.452 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: 4, replica: 6 ===================================== Write number: 284 Temperature: 1.050000 Total energy: -41.473525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.473525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.473525 (E_RNA) where: Base-Base interactions energy: -15.926 where: short stacking energy: -15.926 Base-Backbone interact. energy: -0.051 local terms energy: -25.497182 where: bonds (distance) C4'-P energy: -6.006 bonds (distance) P-C4' energy: -6.199 flat angles C4'-P-C4' energy: -6.799 flat angles P-C4'-P energy: -4.020 tors. eta vs tors. theta energy: -2.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 284 Temperature: 1.100000 Total energy: -31.959002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.959002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.959002 (E_RNA) where: Base-Base interactions energy: -11.310 where: short stacking energy: -11.310 Base-Backbone interact. energy: -0.001 local terms energy: -20.647681 where: bonds (distance) C4'-P energy: -4.727 bonds (distance) P-C4' energy: -6.122 flat angles C4'-P-C4' energy: -3.214 flat angles P-C4'-P energy: -4.232 tors. eta vs tors. theta energy: -2.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 284 Temperature: 1.150000 Total energy: -33.454943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.454943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.454943 (E_RNA) where: Base-Base interactions energy: -12.003 where: short stacking energy: -12.003 Base-Backbone interact. energy: -0.000 local terms energy: -21.451323 where: bonds (distance) C4'-P energy: -4.975 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -4.572 flat angles P-C4'-P energy: -4.142 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: 7, replica: 10 ===================================== Write number: 284 Temperature: 1.200000 Total energy: -31.536259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.536259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.536259 (E_RNA) where: Base-Base interactions energy: -13.593 where: short stacking energy: -13.593 Base-Backbone interact. energy: -0.016 local terms energy: -17.926709 where: bonds (distance) C4'-P energy: -2.284 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -5.482 flat angles P-C4'-P energy: -2.089 tors. eta vs tors. theta energy: -1.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 284 Temperature: 1.250000 Total energy: -37.296811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.296811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.296811 (E_RNA) where: Base-Base interactions energy: -15.025 where: short stacking energy: -15.025 Base-Backbone interact. energy: -0.000 local terms energy: -22.271539 where: bonds (distance) C4'-P energy: -5.137 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -2.508 flat angles P-C4'-P energy: -4.349 tors. eta vs tors. theta energy: -3.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 284 Temperature: 1.300000 Total energy: -32.017274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.017274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.017274 (E_RNA) where: Base-Base interactions energy: -13.273 where: short stacking energy: -13.273 Base-Backbone interact. energy: -0.060 local terms energy: -18.684043 where: bonds (distance) C4'-P energy: -5.659 bonds (distance) P-C4' energy: -4.874 flat angles C4'-P-C4' energy: -4.618 flat angles P-C4'-P energy: -3.503 tors. eta vs tors. theta energy: -0.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 284 Temperature: 1.350000 Total energy: -29.310943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.310943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.310943 (E_RNA) where: Base-Base interactions energy: -10.307 where: short stacking energy: -10.307 Base-Backbone interact. energy: -0.028 local terms energy: -18.975998 where: bonds (distance) C4'-P energy: -5.368 bonds (distance) P-C4' energy: -3.342 flat angles C4'-P-C4' energy: -4.379 flat angles P-C4'-P energy: -4.777 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: 1, replica: 7 ===================================== Write number: 285 Temperature: 0.900000 Total energy: -38.879502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.879502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.879502 (E_RNA) where: Base-Base interactions energy: -17.268 where: short stacking energy: -17.268 Base-Backbone interact. energy: -0.006 local terms energy: -21.605360 where: bonds (distance) C4'-P energy: -4.975 bonds (distance) P-C4' energy: -4.847 flat angles C4'-P-C4' energy: -4.632 flat angles P-C4'-P energy: -5.308 tors. eta vs tors. theta energy: -1.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 285 Temperature: 0.950000 Total energy: -35.528007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.528007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.528007 (E_RNA) where: Base-Base interactions energy: -13.646 where: short stacking energy: -13.646 Base-Backbone interact. energy: -0.001 local terms energy: -21.880836 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -4.913 flat angles P-C4'-P energy: -4.693 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: 3, replica: 9 ===================================== Write number: 285 Temperature: 1.000000 Total energy: -35.257443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.257443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.257443 (E_RNA) where: Base-Base interactions energy: -12.417 where: short stacking energy: -12.417 Base-Backbone interact. energy: -0.000 local terms energy: -22.839654 where: bonds (distance) C4'-P energy: -5.837 bonds (distance) P-C4' energy: -5.840 flat angles C4'-P-C4' energy: -4.938 flat angles P-C4'-P energy: -3.488 tors. eta vs tors. theta energy: -2.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 285 Temperature: 1.050000 Total energy: -40.854244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.854244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.854244 (E_RNA) where: Base-Base interactions energy: -13.782 where: short stacking energy: -13.782 Base-Backbone interact. energy: -0.000 local terms energy: -27.072443 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -6.419 flat angles P-C4'-P energy: -3.975 tors. eta vs tors. theta energy: -4.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 285 Temperature: 1.100000 Total energy: -32.516652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.516652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.516652 (E_RNA) where: Base-Base interactions energy: -12.290 where: short stacking energy: -12.290 Base-Backbone interact. energy: -0.028 local terms energy: -20.198883 where: bonds (distance) C4'-P energy: -4.126 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -5.173 flat angles P-C4'-P energy: -2.457 tors. eta vs tors. theta energy: -2.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 285 Temperature: 1.150000 Total energy: -38.340965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.340965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.340965 (E_RNA) where: Base-Base interactions energy: -14.413 where: short stacking energy: -14.413 Base-Backbone interact. energy: -0.001 local terms energy: -23.926630 where: bonds (distance) C4'-P energy: -6.014 bonds (distance) P-C4' energy: -6.231 flat angles C4'-P-C4' energy: -4.871 flat angles P-C4'-P energy: -3.025 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: 7, replica: 10 ===================================== Write number: 285 Temperature: 1.200000 Total energy: -34.580681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.580681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.580681 (E_RNA) where: Base-Base interactions energy: -11.823 where: short stacking energy: -9.428 Base-Backbone interact. energy: -0.001 local terms energy: -22.756735 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -4.728 flat angles P-C4'-P energy: -4.103 tors. eta vs tors. theta energy: -1.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 285 Temperature: 1.250000 Total energy: -33.359994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.359994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.359994 (E_RNA) where: Base-Base interactions energy: -10.271 where: short stacking energy: -10.271 Base-Backbone interact. energy: -0.001 local terms energy: -23.088732 where: bonds (distance) C4'-P energy: -6.470 bonds (distance) P-C4' energy: -5.417 flat angles C4'-P-C4' energy: -5.658 flat angles P-C4'-P energy: -4.735 tors. eta vs tors. theta energy: -0.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 285 Temperature: 1.300000 Total energy: -30.231265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.231265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.231265 (E_RNA) where: Base-Base interactions energy: -10.631 where: short stacking energy: -10.673 Base-Backbone interact. energy: -0.191 local terms energy: -19.409447 where: bonds (distance) C4'-P energy: -4.673 bonds (distance) P-C4' energy: -4.297 flat angles C4'-P-C4' energy: -5.921 flat angles P-C4'-P energy: -2.730 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: 10, replica: 5 ===================================== Write number: 285 Temperature: 1.350000 Total energy: -35.967115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.967115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.967115 (E_RNA) where: Base-Base interactions energy: -13.049 where: short stacking energy: -13.049 Base-Backbone interact. energy: -0.000 local terms energy: -22.918002 where: bonds (distance) C4'-P energy: -3.924 bonds (distance) P-C4' energy: -5.330 flat angles C4'-P-C4' energy: -5.089 flat angles P-C4'-P energy: -3.489 tors. eta vs tors. theta energy: -5.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 286 Temperature: 0.900000 Total energy: -36.804121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.804121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.804121 (E_RNA) where: Base-Base interactions energy: -13.233 where: short stacking energy: -13.233 Base-Backbone interact. energy: -0.054 local terms energy: -23.517106 where: bonds (distance) C4'-P energy: -5.021 bonds (distance) P-C4' energy: -6.873 flat angles C4'-P-C4' energy: -4.061 flat angles P-C4'-P energy: -4.207 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: 2, replica: 7 ===================================== Write number: 286 Temperature: 0.950000 Total energy: -37.126518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.126518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.126518 (E_RNA) where: Base-Base interactions energy: -14.472 where: short stacking energy: -14.472 Base-Backbone interact. energy: -0.000 local terms energy: -22.654066 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -4.867 flat angles P-C4'-P energy: -2.583 tors. eta vs tors. theta energy: -3.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 286 Temperature: 1.000000 Total energy: -37.242607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.242607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.242607 (E_RNA) where: Base-Base interactions energy: -13.294 where: short stacking energy: -13.294 Base-Backbone interact. energy: -0.024 local terms energy: -23.924627 where: bonds (distance) C4'-P energy: -5.535 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -4.521 flat angles P-C4'-P energy: -2.392 tors. eta vs tors. theta energy: -4.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 286 Temperature: 1.050000 Total energy: -35.999015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.999015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.999015 (E_RNA) where: Base-Base interactions energy: -13.056 where: short stacking energy: -13.056 Base-Backbone interact. energy: -0.140 local terms energy: -22.802303 where: bonds (distance) C4'-P energy: -5.368 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -6.046 flat angles P-C4'-P energy: -5.013 tors. eta vs tors. theta energy: -0.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 286 Temperature: 1.100000 Total energy: -36.576753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.576753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.576753 (E_RNA) where: Base-Base interactions energy: -12.408 where: short stacking energy: -12.408 Base-Backbone interact. energy: -0.043 local terms energy: -24.125942 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -6.309 flat angles P-C4'-P energy: -2.905 tors. eta vs tors. theta energy: -2.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 286 Temperature: 1.150000 Total energy: -31.061799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.061799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.061799 (E_RNA) where: Base-Base interactions energy: -9.696 where: short stacking energy: -9.696 Base-Backbone interact. energy: 0.767 local terms energy: -22.132200 where: bonds (distance) C4'-P energy: -5.766 bonds (distance) P-C4' energy: -6.622 flat angles C4'-P-C4' energy: -4.591 flat angles P-C4'-P energy: -5.043 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: 7, replica: 2 ===================================== Write number: 286 Temperature: 1.200000 Total energy: -36.586890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.586890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.586890 (E_RNA) where: Base-Base interactions energy: -13.979 where: short stacking energy: -13.979 Base-Backbone interact. energy: -0.006 local terms energy: -22.602062 where: bonds (distance) C4'-P energy: -4.285 bonds (distance) P-C4' energy: -5.438 flat angles C4'-P-C4' energy: -6.184 flat angles P-C4'-P energy: -4.276 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: 10 ===================================== Write number: 286 Temperature: 1.250000 Total energy: -29.781423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.781423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.781423 (E_RNA) where: Base-Base interactions energy: -8.673 where: short stacking energy: -8.673 Base-Backbone interact. energy: -0.001 local terms energy: -21.106960 where: bonds (distance) C4'-P energy: -3.867 bonds (distance) P-C4' energy: -5.509 flat angles C4'-P-C4' energy: -5.976 flat angles P-C4'-P energy: -3.102 tors. eta vs tors. theta energy: -2.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 286 Temperature: 1.300000 Total energy: -31.562131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.562131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.562131 (E_RNA) where: Base-Base interactions energy: -12.538 where: short stacking energy: -12.538 Base-Backbone interact. energy: -0.023 local terms energy: -19.001398 where: bonds (distance) C4'-P energy: -3.042 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -5.252 flat angles P-C4'-P energy: -4.898 tors. eta vs tors. theta energy: -1.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 286 Temperature: 1.350000 Total energy: -31.644182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.644182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.644182 (E_RNA) where: Base-Base interactions energy: -11.225 where: short stacking energy: -11.225 Base-Backbone interact. energy: -0.001 local terms energy: -20.417806 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -6.131 flat angles C4'-P-C4' energy: -3.738 flat angles P-C4'-P energy: -1.087 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: 1, replica: 3 ===================================== Write number: 287 Temperature: 0.900000 Total energy: -40.577349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.577349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.577349 (E_RNA) where: Base-Base interactions energy: -15.372 where: short stacking energy: -15.372 Base-Backbone interact. energy: -0.021 local terms energy: -25.185119 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -5.451 flat angles C4'-P-C4' energy: -5.557 flat angles P-C4'-P energy: -5.162 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: 2, replica: 9 ===================================== Write number: 287 Temperature: 0.950000 Total energy: -32.939079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.939079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.939079 (E_RNA) where: Base-Base interactions energy: -12.443 where: short stacking energy: -12.443 Base-Backbone interact. energy: -0.076 local terms energy: -20.419998 where: bonds (distance) C4'-P energy: -5.277 bonds (distance) P-C4' energy: -5.343 flat angles C4'-P-C4' energy: -4.181 flat angles P-C4'-P energy: -5.118 tors. eta vs tors. theta energy: -0.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 287 Temperature: 1.000000 Total energy: -36.786268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.786268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.786268 (E_RNA) where: Base-Base interactions energy: -12.320 where: short stacking energy: -12.320 Base-Backbone interact. energy: -0.000 local terms energy: -24.465558 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -5.733 flat angles C4'-P-C4' energy: -5.282 flat angles P-C4'-P energy: -0.759 tors. eta vs tors. theta energy: -6.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 287 Temperature: 1.050000 Total energy: -36.662600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.662600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.662600 (E_RNA) where: Base-Base interactions energy: -15.860 where: short stacking energy: -15.860 Base-Backbone interact. energy: -0.000 local terms energy: -20.802681 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -3.356 flat angles C4'-P-C4' energy: -5.129 flat angles P-C4'-P energy: -2.847 tors. eta vs tors. theta energy: -3.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 287 Temperature: 1.100000 Total energy: -36.634223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.634223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.634223 (E_RNA) where: Base-Base interactions energy: -13.444 where: short stacking energy: -13.444 Base-Backbone interact. energy: -0.250 local terms energy: -22.939990 where: bonds (distance) C4'-P energy: -4.019 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -4.096 flat angles P-C4'-P energy: -5.063 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: 6, replica: 2 ===================================== Write number: 287 Temperature: 1.150000 Total energy: -31.367180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.367180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.367180 (E_RNA) where: Base-Base interactions energy: -11.903 where: short stacking energy: -11.903 Base-Backbone interact. energy: -0.094 local terms energy: -19.370841 where: bonds (distance) C4'-P energy: -4.988 bonds (distance) P-C4' energy: -4.342 flat angles C4'-P-C4' energy: -4.827 flat angles P-C4'-P energy: -2.039 tors. eta vs tors. theta energy: -3.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 287 Temperature: 1.200000 Total energy: -36.943555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.943555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.943555 (E_RNA) where: Base-Base interactions energy: -12.368 where: short stacking energy: -12.368 Base-Backbone interact. energy: -0.516 local terms energy: -24.059973 where: bonds (distance) C4'-P energy: -4.975 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -5.136 flat angles P-C4'-P energy: -4.174 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: 8, replica: 5 ===================================== Write number: 287 Temperature: 1.250000 Total energy: -30.618153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.618153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.618153 (E_RNA) where: Base-Base interactions energy: -9.972 where: short stacking energy: -9.972 Base-Backbone interact. energy: -0.079 local terms energy: -20.567459 where: bonds (distance) C4'-P energy: -5.252 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -4.354 flat angles P-C4'-P energy: -3.373 tors. eta vs tors. theta energy: -0.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 287 Temperature: 1.300000 Total energy: -30.868272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.868272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.868272 (E_RNA) where: Base-Base interactions energy: -10.298 where: short stacking energy: -10.298 Base-Backbone interact. energy: -0.012 local terms energy: -20.558607 where: bonds (distance) C4'-P energy: -3.299 bonds (distance) P-C4' energy: -7.130 flat angles C4'-P-C4' energy: -4.461 flat angles P-C4'-P energy: -2.532 tors. eta vs tors. theta energy: -3.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 287 Temperature: 1.350000 Total energy: -26.551414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.551414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.551414 (E_RNA) where: Base-Base interactions energy: -9.940 where: short stacking energy: -9.940 Base-Backbone interact. energy: -0.056 local terms energy: -16.555787 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -2.654 flat angles P-C4'-P energy: -3.155 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: 1, replica: 9 ===================================== Write number: 288 Temperature: 0.900000 Total energy: -40.271998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.271998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.271998 (E_RNA) where: Base-Base interactions energy: -12.977 where: short stacking energy: -12.977 Base-Backbone interact. energy: -0.000 local terms energy: -27.294753 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -5.572 flat angles P-C4'-P energy: -3.804 tors. eta vs tors. theta energy: -5.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 288 Temperature: 0.950000 Total energy: -39.422984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.422984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.422984 (E_RNA) where: Base-Base interactions energy: -12.675 where: short stacking energy: -12.675 Base-Backbone interact. energy: -0.000 local terms energy: -26.747861 where: bonds (distance) C4'-P energy: -4.921 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -6.521 flat angles P-C4'-P energy: -5.248 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: 3, replica: 6 ===================================== Write number: 288 Temperature: 1.000000 Total energy: -35.269056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.269056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.269056 (E_RNA) where: Base-Base interactions energy: -13.799 where: short stacking energy: -13.799 Base-Backbone interact. energy: -0.000 local terms energy: -21.470277 where: bonds (distance) C4'-P energy: -5.953 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -3.079 flat angles P-C4'-P energy: -3.378 tors. eta vs tors. theta energy: -1.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 288 Temperature: 1.050000 Total energy: -39.143103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.143103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.143103 (E_RNA) where: Base-Base interactions energy: -16.219 where: short stacking energy: -14.946 Base-Backbone interact. energy: -0.000 local terms energy: -22.924283 where: bonds (distance) C4'-P energy: -5.169 bonds (distance) P-C4' energy: -5.723 flat angles C4'-P-C4' energy: -5.713 flat angles P-C4'-P energy: -3.995 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: 5, replica: 2 ===================================== Write number: 288 Temperature: 1.100000 Total energy: -33.821022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.821022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.821022 (E_RNA) where: Base-Base interactions energy: -9.841 where: short stacking energy: -9.841 Base-Backbone interact. energy: -0.025 local terms energy: -23.955640 where: bonds (distance) C4'-P energy: -4.309 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -5.049 flat angles P-C4'-P energy: -5.385 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: 6, replica: 1 ===================================== Write number: 288 Temperature: 1.150000 Total energy: -28.840437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.840437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.840437 (E_RNA) where: Base-Base interactions energy: -11.130 where: short stacking energy: -11.130 Base-Backbone interact. energy: -0.056 local terms energy: -17.655306 where: bonds (distance) C4'-P energy: -4.524 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -3.645 flat angles P-C4'-P energy: -1.748 tors. eta vs tors. theta energy: -1.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 288 Temperature: 1.200000 Total energy: -33.808770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.808770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.808770 (E_RNA) where: Base-Base interactions energy: -10.474 where: short stacking energy: -10.474 Base-Backbone interact. energy: 0.024 local terms energy: -23.357929 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -5.709 flat angles P-C4'-P energy: -4.319 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: 8, replica: 4 ===================================== Write number: 288 Temperature: 1.250000 Total energy: -32.641281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.641281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.641281 (E_RNA) where: Base-Base interactions energy: -10.345 where: short stacking energy: -10.345 Base-Backbone interact. energy: -0.002 local terms energy: -22.294461 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -5.837 flat angles C4'-P-C4' energy: -5.493 flat angles P-C4'-P energy: -4.908 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: 9, replica: 8 ===================================== Write number: 288 Temperature: 1.300000 Total energy: -28.754138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.754138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.754138 (E_RNA) where: Base-Base interactions energy: -8.597 where: short stacking energy: -8.597 Base-Backbone interact. energy: -0.000 local terms energy: -20.156625 where: bonds (distance) C4'-P energy: -5.349 bonds (distance) P-C4' energy: -4.377 flat angles C4'-P-C4' energy: -5.262 flat angles P-C4'-P energy: -2.536 tors. eta vs tors. theta energy: -2.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 288 Temperature: 1.350000 Total energy: -28.140002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.140002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.140002 (E_RNA) where: Base-Base interactions energy: -9.182 where: short stacking energy: -9.182 Base-Backbone interact. energy: -0.110 local terms energy: -18.847989 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -4.892 flat angles C4'-P-C4' energy: -4.513 flat angles P-C4'-P energy: -2.441 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: 1, replica: 9 ===================================== Write number: 289 Temperature: 0.900000 Total energy: -40.539621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.539621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.539621 (E_RNA) where: Base-Base interactions energy: -15.484 where: short stacking energy: -15.484 Base-Backbone interact. energy: -0.418 local terms energy: -24.638159 where: bonds (distance) C4'-P energy: -5.109 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -5.764 flat angles P-C4'-P energy: -4.840 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: 2, replica: 3 ===================================== Write number: 289 Temperature: 0.950000 Total energy: -37.879122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.879122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.879122 (E_RNA) where: Base-Base interactions energy: -12.532 where: short stacking energy: -12.532 Base-Backbone interact. energy: -0.029 local terms energy: -25.318627 where: bonds (distance) C4'-P energy: -6.354 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -5.970 flat angles P-C4'-P energy: -4.949 tors. eta vs tors. theta energy: -0.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 289 Temperature: 1.000000 Total energy: -41.963371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.963371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.963371 (E_RNA) where: Base-Base interactions energy: -17.282 where: short stacking energy: -17.282 Base-Backbone interact. energy: -0.001 local terms energy: -24.681049 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.625 flat angles C4'-P-C4' energy: -4.739 flat angles P-C4'-P energy: -2.892 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: 2 ===================================== Write number: 289 Temperature: 1.050000 Total energy: -31.812511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.812511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.812511 (E_RNA) where: Base-Base interactions energy: -9.840 where: short stacking energy: -9.840 Base-Backbone interact. energy: -0.001 local terms energy: -21.972114 where: bonds (distance) C4'-P energy: -3.564 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -5.730 flat angles P-C4'-P energy: -4.274 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: 5, replica: 7 ===================================== Write number: 289 Temperature: 1.100000 Total energy: -27.826086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.826086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.826086 (E_RNA) where: Base-Base interactions energy: -9.052 where: short stacking energy: -9.052 Base-Backbone interact. energy: -0.073 local terms energy: -18.700990 where: bonds (distance) C4'-P energy: -3.630 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.216 flat angles P-C4'-P energy: -1.944 tors. eta vs tors. theta energy: -1.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 289 Temperature: 1.150000 Total energy: -32.744710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.744710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.744710 (E_RNA) where: Base-Base interactions energy: -10.746 where: short stacking energy: -10.746 Base-Backbone interact. energy: -0.027 local terms energy: -21.971633 where: bonds (distance) C4'-P energy: -5.608 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -5.501 flat angles P-C4'-P energy: -3.560 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: 7, replica: 1 ===================================== Write number: 289 Temperature: 1.200000 Total energy: -31.372426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.372426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.372426 (E_RNA) where: Base-Base interactions energy: -11.341 where: short stacking energy: -11.341 Base-Backbone interact. energy: -0.008 local terms energy: -20.023959 where: bonds (distance) C4'-P energy: -4.781 bonds (distance) P-C4' energy: -2.606 flat angles C4'-P-C4' energy: -5.591 flat angles P-C4'-P energy: -3.380 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: 8 ===================================== Write number: 289 Temperature: 1.250000 Total energy: -32.076012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.076012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.076012 (E_RNA) where: Base-Base interactions energy: -9.430 where: short stacking energy: -9.430 Base-Backbone interact. energy: -0.012 local terms energy: -22.633681 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -6.174 flat angles C4'-P-C4' energy: -5.798 flat angles P-C4'-P energy: -3.591 tors. eta vs tors. theta energy: -0.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 289 Temperature: 1.300000 Total energy: -35.948801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.948801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.948801 (E_RNA) where: Base-Base interactions energy: -10.488 where: short stacking energy: -10.488 Base-Backbone interact. energy: -0.000 local terms energy: -25.460847 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -5.279 flat angles C4'-P-C4' energy: -6.666 flat angles P-C4'-P energy: -4.310 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: 10 ===================================== Write number: 289 Temperature: 1.350000 Total energy: -30.960188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.960188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.960188 (E_RNA) where: Base-Base interactions energy: -12.982 where: short stacking energy: -12.982 Base-Backbone interact. energy: -0.103 local terms energy: -17.874902 where: bonds (distance) C4'-P energy: -5.100 bonds (distance) P-C4' energy: -6.358 flat angles C4'-P-C4' energy: -2.539 flat angles P-C4'-P energy: -2.176 tors. eta vs tors. theta energy: -1.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 290 Temperature: 0.900000 Total energy: -44.668442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.668442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.668442 (E_RNA) where: Base-Base interactions energy: -14.665 where: short stacking energy: -14.665 Base-Backbone interact. energy: -0.000 local terms energy: -30.003189 where: bonds (distance) C4'-P energy: -6.014 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -6.660 flat angles P-C4'-P energy: -4.898 tors. eta vs tors. theta energy: -5.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 290 Temperature: 0.950000 Total energy: -35.816915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.816915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.816915 (E_RNA) where: Base-Base interactions energy: -12.721 where: short stacking energy: -12.721 Base-Backbone interact. energy: -0.078 local terms energy: -23.018483 where: bonds (distance) C4'-P energy: -5.199 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -5.058 flat angles P-C4'-P energy: -3.832 tors. eta vs tors. theta energy: -2.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 290 Temperature: 1.000000 Total energy: -36.682795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.682795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.682795 (E_RNA) where: Base-Base interactions energy: -11.698 where: short stacking energy: -9.427 Base-Backbone interact. energy: -0.013 local terms energy: -24.972106 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -6.460 flat angles C4'-P-C4' energy: -6.551 flat angles P-C4'-P energy: -5.135 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: 4, replica: 6 ===================================== Write number: 290 Temperature: 1.050000 Total energy: -34.475377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.475377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.475377 (E_RNA) where: Base-Base interactions energy: -9.577 where: short stacking energy: -9.577 Base-Backbone interact. energy: -0.010 local terms energy: -24.888735 where: bonds (distance) C4'-P energy: -4.044 bonds (distance) P-C4' energy: -7.144 flat angles C4'-P-C4' energy: -6.175 flat angles P-C4'-P energy: -4.121 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: 5, replica: 5 ===================================== Write number: 290 Temperature: 1.100000 Total energy: -34.838145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.838145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.838145 (E_RNA) where: Base-Base interactions energy: -11.768 where: short stacking energy: -11.768 Base-Backbone interact. energy: -0.000 local terms energy: -23.070033 where: bonds (distance) C4'-P energy: -4.392 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -5.968 flat angles P-C4'-P energy: -2.358 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: 6, replica: 7 ===================================== Write number: 290 Temperature: 1.150000 Total energy: -36.957474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.957474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.957474 (E_RNA) where: Base-Base interactions energy: -14.471 where: short stacking energy: -14.471 Base-Backbone interact. energy: -0.048 local terms energy: -22.438516 where: bonds (distance) C4'-P energy: -4.383 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -3.573 flat angles P-C4'-P energy: -3.793 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: 7, replica: 8 ===================================== Write number: 290 Temperature: 1.200000 Total energy: -31.592117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.592117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.592117 (E_RNA) where: Base-Base interactions energy: -9.760 where: short stacking energy: -9.760 Base-Backbone interact. energy: -0.021 local terms energy: -21.810444 where: bonds (distance) C4'-P energy: -6.044 bonds (distance) P-C4' energy: -4.403 flat angles C4'-P-C4' energy: -5.992 flat angles P-C4'-P energy: -4.301 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: 8, replica: 1 ===================================== Write number: 290 Temperature: 1.250000 Total energy: -32.520945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.520945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.520945 (E_RNA) where: Base-Base interactions energy: -12.807 where: short stacking energy: -12.807 Base-Backbone interact. energy: -0.002 local terms energy: -19.712541 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -2.655 flat angles C4'-P-C4' energy: -4.258 flat angles P-C4'-P energy: -3.993 tors. eta vs tors. theta energy: -2.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 290 Temperature: 1.300000 Total energy: -34.721783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.721783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.721783 (E_RNA) where: Base-Base interactions energy: -13.396 where: short stacking energy: -13.396 Base-Backbone interact. energy: -0.002 local terms energy: -21.324649 where: bonds (distance) C4'-P energy: -5.411 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -5.399 flat angles P-C4'-P energy: -2.483 tors. eta vs tors. theta energy: -1.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 290 Temperature: 1.350000 Total energy: -29.891518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.891518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.891518 (E_RNA) where: Base-Base interactions energy: -12.913 where: short stacking energy: -12.913 Base-Backbone interact. energy: -0.001 local terms energy: -16.976872 where: bonds (distance) C4'-P energy: -4.719 bonds (distance) P-C4' energy: -5.671 flat angles C4'-P-C4' energy: -3.788 flat angles P-C4'-P energy: -1.040 tors. eta vs tors. theta energy: -1.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 291 Temperature: 0.900000 Total energy: -36.129693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.129693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.129693 (E_RNA) where: Base-Base interactions energy: -13.106 where: short stacking energy: -13.106 Base-Backbone interact. energy: -0.077 local terms energy: -22.946360 where: bonds (distance) C4'-P energy: -4.640 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -5.404 flat angles P-C4'-P energy: -3.894 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: 2, replica: 2 ===================================== Write number: 291 Temperature: 0.950000 Total energy: -35.137953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.137953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.137953 (E_RNA) where: Base-Base interactions energy: -13.605 where: short stacking energy: -13.605 Base-Backbone interact. energy: -0.047 local terms energy: -21.485093 where: bonds (distance) C4'-P energy: -3.378 bonds (distance) P-C4' energy: -4.460 flat angles C4'-P-C4' energy: -5.404 flat angles P-C4'-P energy: -5.296 tors. eta vs tors. theta energy: -2.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 291 Temperature: 1.000000 Total energy: -36.450913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.450913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.450913 (E_RNA) where: Base-Base interactions energy: -13.377 where: short stacking energy: -12.042 Base-Backbone interact. energy: -0.004 local terms energy: -23.070601 where: bonds (distance) C4'-P energy: -5.419 bonds (distance) P-C4' energy: -6.447 flat angles C4'-P-C4' energy: -4.987 flat angles P-C4'-P energy: -3.993 tors. eta vs tors. theta energy: -2.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 291 Temperature: 1.050000 Total energy: -33.951763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.951763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.951763 (E_RNA) where: Base-Base interactions energy: -12.550 where: short stacking energy: -12.550 Base-Backbone interact. energy: -0.371 local terms energy: -21.031567 where: bonds (distance) C4'-P energy: -4.462 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.541 flat angles P-C4'-P energy: -3.437 tors. eta vs tors. theta energy: -1.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 291 Temperature: 1.100000 Total energy: -35.869137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.869137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.869137 (E_RNA) where: Base-Base interactions energy: -13.757 where: short stacking energy: -13.757 Base-Backbone interact. energy: -0.000 local terms energy: -22.112587 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -4.631 flat angles C4'-P-C4' energy: -4.933 flat angles P-C4'-P energy: -3.420 tors. eta vs tors. theta energy: -3.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 291 Temperature: 1.150000 Total energy: -30.367530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.367530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.367530 (E_RNA) where: Base-Base interactions energy: -8.524 where: short stacking energy: -8.524 Base-Backbone interact. energy: -1.060 local terms energy: -20.783686 where: bonds (distance) C4'-P energy: -3.903 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.853 flat angles P-C4'-P energy: -4.944 tors. eta vs tors. theta energy: 0.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 291 Temperature: 1.200000 Total energy: -30.264765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.264765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.264765 (E_RNA) where: Base-Base interactions energy: -12.055 where: short stacking energy: -12.055 Base-Backbone interact. energy: -0.003 local terms energy: -18.207183 where: bonds (distance) C4'-P energy: -2.732 bonds (distance) P-C4' energy: -3.916 flat angles C4'-P-C4' energy: -6.095 flat angles P-C4'-P energy: -4.321 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: 10 ===================================== Write number: 291 Temperature: 1.250000 Total energy: -31.069251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.069251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.069251 (E_RNA) where: Base-Base interactions energy: -9.859 where: short stacking energy: -9.859 Base-Backbone interact. energy: -0.052 local terms energy: -21.159038 where: bonds (distance) C4'-P energy: -5.427 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -5.038 flat angles P-C4'-P energy: -3.059 tors. eta vs tors. theta energy: -1.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 291 Temperature: 1.300000 Total energy: -30.749659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.749659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.749659 (E_RNA) where: Base-Base interactions energy: -13.648 where: short stacking energy: -13.648 Base-Backbone interact. energy: -0.001 local terms energy: -17.101297 where: bonds (distance) C4'-P energy: -4.516 bonds (distance) P-C4' energy: -5.350 flat angles C4'-P-C4' energy: -2.986 flat angles P-C4'-P energy: -3.761 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: 4 ===================================== Write number: 291 Temperature: 1.350000 Total energy: -32.787820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.787820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.787820 (E_RNA) where: Base-Base interactions energy: -13.824 where: short stacking energy: -13.824 Base-Backbone interact. energy: -0.000 local terms energy: -18.963999 where: bonds (distance) C4'-P energy: -4.880 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -4.129 flat angles P-C4'-P energy: -4.278 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: 1, replica: 2 ===================================== Write number: 292 Temperature: 0.900000 Total energy: -42.188803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.188803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.188803 (E_RNA) where: Base-Base interactions energy: -18.110 where: short stacking energy: -18.110 Base-Backbone interact. energy: -0.003 local terms energy: -24.075102 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -5.343 flat angles C4'-P-C4' energy: -4.889 flat angles P-C4'-P energy: -4.301 tors. eta vs tors. theta energy: -4.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 292 Temperature: 0.950000 Total energy: -37.273271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.273271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.273271 (E_RNA) where: Base-Base interactions energy: -14.011 where: short stacking energy: -14.011 Base-Backbone interact. energy: -0.000 local terms energy: -23.262640 where: bonds (distance) C4'-P energy: -5.419 bonds (distance) P-C4' energy: -5.730 flat angles C4'-P-C4' energy: -6.130 flat angles P-C4'-P energy: -3.920 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: 3, replica: 5 ===================================== Write number: 292 Temperature: 1.000000 Total energy: -40.924859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.924859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.924859 (E_RNA) where: Base-Base interactions energy: -17.008 where: short stacking energy: -17.008 Base-Backbone interact. energy: -0.001 local terms energy: -23.915033 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -5.389 flat angles P-C4'-P energy: -4.386 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: 4, replica: 3 ===================================== Write number: 292 Temperature: 1.050000 Total energy: -32.296269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.296269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.296269 (E_RNA) where: Base-Base interactions energy: -8.768 where: short stacking energy: -8.768 Base-Backbone interact. energy: -0.165 local terms energy: -23.363233 where: bonds (distance) C4'-P energy: -4.487 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -5.443 flat angles P-C4'-P energy: -4.223 tors. eta vs tors. theta energy: -2.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 292 Temperature: 1.100000 Total energy: -36.281403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.281403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.281403 (E_RNA) where: Base-Base interactions energy: -12.782 where: short stacking energy: -12.782 Base-Backbone interact. energy: -0.000 local terms energy: -23.499819 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -5.935 flat angles C4'-P-C4' energy: -5.306 flat angles P-C4'-P energy: -4.428 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: 6, replica: 6 ===================================== Write number: 292 Temperature: 1.150000 Total energy: -29.079407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.079407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.079407 (E_RNA) where: Base-Base interactions energy: -5.687 where: short stacking energy: -5.687 Base-Backbone interact. energy: -0.100 local terms energy: -23.292898 where: bonds (distance) C4'-P energy: -5.473 bonds (distance) P-C4' energy: -6.128 flat angles C4'-P-C4' energy: -6.447 flat angles P-C4'-P energy: -4.092 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: 10 ===================================== Write number: 292 Temperature: 1.200000 Total energy: -35.764767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.764767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.764767 (E_RNA) where: Base-Base interactions energy: -11.255 where: short stacking energy: -11.255 Base-Backbone interact. energy: -0.002 local terms energy: -24.508290 where: bonds (distance) C4'-P energy: -4.897 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -6.538 flat angles P-C4'-P energy: -4.211 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: 7 ===================================== Write number: 292 Temperature: 1.250000 Total energy: -33.572531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.572531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.572531 (E_RNA) where: Base-Base interactions energy: -12.167 where: short stacking energy: -12.927 Base-Backbone interact. energy: -0.003 local terms energy: -21.402562 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -6.122 flat angles C4'-P-C4' energy: -4.656 flat angles P-C4'-P energy: -2.954 tors. eta vs tors. theta energy: -1.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 292 Temperature: 1.300000 Total energy: -31.726966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.726966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.726966 (E_RNA) where: Base-Base interactions energy: -9.759 where: short stacking energy: -9.759 Base-Backbone interact. energy: -0.012 local terms energy: -21.956229 where: bonds (distance) C4'-P energy: -5.882 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.082 flat angles P-C4'-P energy: -3.792 tors. eta vs tors. theta energy: -0.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 292 Temperature: 1.350000 Total energy: -30.431802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.431802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.431802 (E_RNA) where: Base-Base interactions energy: -9.598 where: short stacking energy: -9.598 Base-Backbone interact. energy: -0.080 local terms energy: -20.754156 where: bonds (distance) C4'-P energy: -4.988 bonds (distance) P-C4' energy: -6.622 flat angles C4'-P-C4' energy: -3.794 flat angles P-C4'-P energy: -3.464 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: 293 Temperature: 0.900000 Total energy: -38.082708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.082708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.082708 (E_RNA) where: Base-Base interactions energy: -13.600 where: short stacking energy: -13.600 Base-Backbone interact. energy: -0.023 local terms energy: -24.459746 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -3.014 flat angles P-C4'-P energy: -4.847 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: 2, replica: 5 ===================================== Write number: 293 Temperature: 0.950000 Total energy: -37.416658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.416658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.416658 (E_RNA) where: Base-Base interactions energy: -13.167 where: short stacking energy: -13.167 Base-Backbone interact. energy: -0.000 local terms energy: -24.249615 where: bonds (distance) C4'-P energy: -5.055 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -5.870 flat angles P-C4'-P energy: -3.362 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: 3, replica: 9 ===================================== Write number: 293 Temperature: 1.000000 Total energy: -34.364861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.364861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.364861 (E_RNA) where: Base-Base interactions energy: -13.652 where: short stacking energy: -13.652 Base-Backbone interact. energy: -0.067 local terms energy: -20.645100 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -4.173 flat angles P-C4'-P energy: -5.208 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: 4, replica: 8 ===================================== Write number: 293 Temperature: 1.050000 Total energy: -37.154868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.154868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.154868 (E_RNA) where: Base-Base interactions energy: -13.005 where: short stacking energy: -13.005 Base-Backbone interact. energy: -0.060 local terms energy: -24.089946 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -5.888 flat angles P-C4'-P energy: -2.879 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: 5, replica: 3 ===================================== Write number: 293 Temperature: 1.100000 Total energy: -37.893052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.893052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.893052 (E_RNA) where: Base-Base interactions energy: -13.484 where: short stacking energy: -13.484 Base-Backbone interact. energy: -0.009 local terms energy: -24.400144 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -5.820 flat angles P-C4'-P energy: -5.005 tors. eta vs tors. theta energy: -1.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 293 Temperature: 1.150000 Total energy: -34.859648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.859648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.859648 (E_RNA) where: Base-Base interactions energy: -12.551 where: short stacking energy: -12.851 Base-Backbone interact. energy: -0.058 local terms energy: -22.250355 where: bonds (distance) C4'-P energy: -4.578 bonds (distance) P-C4' energy: -6.389 flat angles C4'-P-C4' energy: -4.561 flat angles P-C4'-P energy: -3.339 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: 7, replica: 6 ===================================== Write number: 293 Temperature: 1.200000 Total energy: -33.790312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.790312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.790312 (E_RNA) where: Base-Base interactions energy: -12.601 where: short stacking energy: -12.601 Base-Backbone interact. energy: -0.096 local terms energy: -21.093860 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -5.676 flat angles P-C4'-P energy: -3.481 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: 4 ===================================== Write number: 293 Temperature: 1.250000 Total energy: -30.081001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.081001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.081001 (E_RNA) where: Base-Base interactions energy: -13.334 where: short stacking energy: -13.334 Base-Backbone interact. energy: -0.101 local terms energy: -16.646578 where: bonds (distance) C4'-P energy: -4.462 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -3.953 flat angles P-C4'-P energy: -1.263 tors. eta vs tors. theta energy: -0.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 293 Temperature: 1.300000 Total energy: -29.574817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.574817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.574817 (E_RNA) where: Base-Base interactions energy: -10.057 where: short stacking energy: -10.057 Base-Backbone interact. energy: -0.000 local terms energy: -19.517851 where: bonds (distance) C4'-P energy: -3.654 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -3.280 flat angles P-C4'-P energy: -3.341 tors. eta vs tors. theta energy: -2.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 293 Temperature: 1.350000 Total energy: -26.063021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.063021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.063021 (E_RNA) where: Base-Base interactions energy: -3.895 where: short stacking energy: -3.895 Base-Backbone interact. energy: -0.002 local terms energy: -22.166633 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -5.007 flat angles P-C4'-P energy: -4.559 tors. eta vs tors. theta energy: 0.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 294 Temperature: 0.900000 Total energy: -38.364514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.364514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.364514 (E_RNA) where: Base-Base interactions energy: -12.794 where: short stacking energy: -12.794 Base-Backbone interact. energy: -0.027 local terms energy: -25.543370 where: bonds (distance) C4'-P energy: -4.835 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -5.568 flat angles P-C4'-P energy: -5.298 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: 2, replica: 2 ===================================== Write number: 294 Temperature: 0.950000 Total energy: -39.797187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.797187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.797187 (E_RNA) where: Base-Base interactions energy: -14.256 where: short stacking energy: -14.256 Base-Backbone interact. energy: -0.005 local terms energy: -25.535810 where: bonds (distance) C4'-P energy: -5.261 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.268 flat angles P-C4'-P energy: -4.170 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: 3, replica: 8 ===================================== Write number: 294 Temperature: 1.000000 Total energy: -30.954280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.954280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.954280 (E_RNA) where: Base-Base interactions energy: -8.789 where: short stacking energy: -8.789 Base-Backbone interact. energy: -0.000 local terms energy: -22.165027 where: bonds (distance) C4'-P energy: -4.789 bonds (distance) P-C4' energy: -7.130 flat angles C4'-P-C4' energy: -6.137 flat angles P-C4'-P energy: -3.335 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: 4, replica: 9 ===================================== Write number: 294 Temperature: 1.050000 Total energy: -37.664680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.664680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.664680 (E_RNA) where: Base-Base interactions energy: -15.530 where: short stacking energy: -15.530 Base-Backbone interact. energy: -0.001 local terms energy: -22.133087 where: bonds (distance) C4'-P energy: -3.183 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -5.132 flat angles P-C4'-P energy: -4.196 tors. eta vs tors. theta energy: -2.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 294 Temperature: 1.100000 Total energy: -32.140667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.140667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.140667 (E_RNA) where: Base-Base interactions energy: -12.848 where: short stacking energy: -12.848 Base-Backbone interact. energy: -0.088 local terms energy: -19.205213 where: bonds (distance) C4'-P energy: -4.619 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -4.943 flat angles P-C4'-P energy: -4.477 tors. eta vs tors. theta energy: 0.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 294 Temperature: 1.150000 Total energy: -34.352115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.352115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.352115 (E_RNA) where: Base-Base interactions energy: -9.007 where: short stacking energy: -9.007 Base-Backbone interact. energy: -0.001 local terms energy: -25.344179 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.167 flat angles P-C4'-P energy: -4.321 tors. eta vs tors. theta energy: -2.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 294 Temperature: 1.200000 Total energy: -31.654988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.654988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.654988 (E_RNA) where: Base-Base interactions energy: -14.274 where: short stacking energy: -14.274 Base-Backbone interact. energy: -0.010 local terms energy: -17.371555 where: bonds (distance) C4'-P energy: -5.199 bonds (distance) P-C4' energy: -1.303 flat angles C4'-P-C4' energy: -6.520 flat angles P-C4'-P energy: -3.436 tors. eta vs tors. theta energy: -0.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 294 Temperature: 1.250000 Total energy: -30.618386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.618386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.618386 (E_RNA) where: Base-Base interactions energy: -8.764 where: short stacking energy: -8.764 Base-Backbone interact. energy: -0.001 local terms energy: -21.853314 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -5.534 flat angles C4'-P-C4' energy: -6.184 flat angles P-C4'-P energy: -3.731 tors. eta vs tors. theta energy: -0.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 294 Temperature: 1.300000 Total energy: -28.703699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.703699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.703699 (E_RNA) where: Base-Base interactions energy: -5.599 where: short stacking energy: -5.599 Base-Backbone interact. energy: -0.014 local terms energy: -23.090612 where: bonds (distance) C4'-P energy: -5.075 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -6.500 flat angles P-C4'-P energy: -4.014 tors. eta vs tors. theta energy: -1.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 294 Temperature: 1.350000 Total energy: -30.196515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.196515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.196515 (E_RNA) where: Base-Base interactions energy: -9.663 where: short stacking energy: -8.330 Base-Backbone interact. energy: -0.064 local terms energy: -20.469105 where: bonds (distance) C4'-P energy: -4.603 bonds (distance) P-C4' energy: -6.438 flat angles C4'-P-C4' energy: -4.711 flat angles P-C4'-P energy: -1.997 tors. eta vs tors. theta energy: -2.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 295 Temperature: 0.900000 Total energy: -37.497930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.497930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.497930 (E_RNA) where: Base-Base interactions energy: -13.457 where: short stacking energy: -13.457 Base-Backbone interact. energy: -0.036 local terms energy: -24.004513 where: bonds (distance) C4'-P energy: -5.340 bonds (distance) P-C4' energy: -5.830 flat angles C4'-P-C4' energy: -5.300 flat angles P-C4'-P energy: -5.137 tors. eta vs tors. theta energy: -2.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 295 Temperature: 0.950000 Total energy: -37.967588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.967588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.967588 (E_RNA) where: Base-Base interactions energy: -11.499 where: short stacking energy: -11.499 Base-Backbone interact. energy: -0.049 local terms energy: -26.419772 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.936 flat angles P-C4'-P energy: -3.957 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: 3, replica: 2 ===================================== Write number: 295 Temperature: 1.000000 Total energy: -35.671302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.671302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.671302 (E_RNA) where: Base-Base interactions energy: -13.086 where: short stacking energy: -13.086 Base-Backbone interact. energy: -0.001 local terms energy: -22.584342 where: bonds (distance) C4'-P energy: -2.694 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -6.401 flat angles P-C4'-P energy: -3.335 tors. eta vs tors. theta energy: -4.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 295 Temperature: 1.050000 Total energy: -35.651475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.651475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.651475 (E_RNA) where: Base-Base interactions energy: -11.477 where: short stacking energy: -11.477 Base-Backbone interact. energy: -0.000 local terms energy: -24.174361 where: bonds (distance) C4'-P energy: -4.921 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -5.451 flat angles P-C4'-P energy: -4.029 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: 5, replica: 9 ===================================== Write number: 295 Temperature: 1.100000 Total energy: -32.298425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.298425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.298425 (E_RNA) where: Base-Base interactions energy: -11.344 where: short stacking energy: -11.113 Base-Backbone interact. energy: -0.148 local terms energy: -20.806274 where: bonds (distance) C4'-P energy: -4.789 bonds (distance) P-C4' energy: -7.144 flat angles C4'-P-C4' energy: -5.173 flat angles P-C4'-P energy: -3.935 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: 6, replica: 3 ===================================== Write number: 295 Temperature: 1.150000 Total energy: -37.330627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.330627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.330627 (E_RNA) where: Base-Base interactions energy: -12.241 where: short stacking energy: -12.241 Base-Backbone interact. energy: -0.008 local terms energy: -25.081278 where: bonds (distance) C4'-P energy: -5.882 bonds (distance) P-C4' energy: -5.572 flat angles C4'-P-C4' energy: -6.170 flat angles P-C4'-P energy: -3.126 tors. eta vs tors. theta energy: -4.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 295 Temperature: 1.200000 Total energy: -37.292784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.292784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.292784 (E_RNA) where: Base-Base interactions energy: -14.432 where: short stacking energy: -14.432 Base-Backbone interact. energy: -0.001 local terms energy: -22.859031 where: bonds (distance) C4'-P energy: -5.287 bonds (distance) P-C4' energy: -5.509 flat angles C4'-P-C4' energy: -5.936 flat angles P-C4'-P energy: -3.913 tors. eta vs tors. theta energy: -2.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 295 Temperature: 1.250000 Total energy: -29.009949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.009949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.009949 (E_RNA) where: Base-Base interactions energy: -7.583 where: short stacking energy: -7.583 Base-Backbone interact. energy: -0.000 local terms energy: -21.427136 where: bonds (distance) C4'-P energy: -3.680 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -6.328 flat angles P-C4'-P energy: -3.858 tors. eta vs tors. theta energy: -1.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 295 Temperature: 1.300000 Total energy: -34.777084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.777084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.777084 (E_RNA) where: Base-Base interactions energy: -13.241 where: short stacking energy: -13.241 Base-Backbone interact. energy: -0.001 local terms energy: -21.535872 where: bonds (distance) C4'-P energy: -5.394 bonds (distance) P-C4' energy: -5.767 flat angles C4'-P-C4' energy: -4.804 flat angles P-C4'-P energy: -3.120 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: 10, replica: 7 ===================================== Write number: 295 Temperature: 1.350000 Total energy: -27.831382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.831382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.831382 (E_RNA) where: Base-Base interactions energy: -4.358 where: short stacking energy: -4.358 Base-Backbone interact. energy: -0.000 local terms energy: -23.472988 where: bonds (distance) C4'-P energy: -5.104 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -5.224 flat angles P-C4'-P energy: -3.804 tors. eta vs tors. theta energy: -2.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 296 Temperature: 0.900000 Total energy: -39.482736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.482736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.482736 (E_RNA) where: Base-Base interactions energy: -17.199 where: short stacking energy: -17.199 Base-Backbone interact. energy: -0.000 local terms energy: -22.283216 where: bonds (distance) C4'-P energy: -4.897 bonds (distance) P-C4' energy: -7.144 flat angles C4'-P-C4' energy: -2.720 flat angles P-C4'-P energy: -4.322 tors. eta vs tors. theta energy: -3.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 296 Temperature: 0.950000 Total energy: -35.238967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.238967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.238967 (E_RNA) where: Base-Base interactions energy: -12.364 where: short stacking energy: -12.364 Base-Backbone interact. energy: -0.000 local terms energy: -22.874468 where: bonds (distance) C4'-P energy: -5.278 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -5.542 flat angles P-C4'-P energy: -2.902 tors. eta vs tors. theta energy: -2.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 296 Temperature: 1.000000 Total energy: -38.764786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.764786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.764786 (E_RNA) where: Base-Base interactions energy: -16.230 where: short stacking energy: -16.230 Base-Backbone interact. energy: -0.000 local terms energy: -22.535226 where: bonds (distance) C4'-P energy: -5.484 bonds (distance) P-C4' energy: -4.846 flat angles C4'-P-C4' energy: -5.149 flat angles P-C4'-P energy: -3.530 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: 4, replica: 2 ===================================== Write number: 296 Temperature: 1.050000 Total energy: -35.115766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.115766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.115766 (E_RNA) where: Base-Base interactions energy: -13.743 where: short stacking energy: -13.743 Base-Backbone interact. energy: -0.100 local terms energy: -21.273211 where: bonds (distance) C4'-P energy: -4.673 bonds (distance) P-C4' energy: -5.892 flat angles C4'-P-C4' energy: -5.076 flat angles P-C4'-P energy: -3.996 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: 5, replica: 3 ===================================== Write number: 296 Temperature: 1.100000 Total energy: -32.990044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.990044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.990044 (E_RNA) where: Base-Base interactions energy: -11.284 where: short stacking energy: -11.284 Base-Backbone interact. energy: -0.014 local terms energy: -21.692864 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -4.933 flat angles P-C4'-P energy: -2.782 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: 296 Temperature: 1.150000 Total energy: -28.300923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.300923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.300923 (E_RNA) where: Base-Base interactions energy: -6.369 where: short stacking energy: -6.369 Base-Backbone interact. energy: -0.169 local terms energy: -21.763389 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -5.400 flat angles P-C4'-P energy: -3.083 tors. eta vs tors. theta energy: -0.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 296 Temperature: 1.200000 Total energy: -33.320969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.320969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.320969 (E_RNA) where: Base-Base interactions energy: -7.446 where: short stacking energy: -7.446 Base-Backbone interact. energy: -0.005 local terms energy: -25.869742 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -4.150 flat angles P-C4'-P energy: -4.858 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: 8, replica: 1 ===================================== Write number: 296 Temperature: 1.250000 Total energy: -29.997819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.997819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.997819 (E_RNA) where: Base-Base interactions energy: -10.096 where: short stacking energy: -10.096 Base-Backbone interact. energy: -0.114 local terms energy: -19.787693 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -4.850 flat angles C4'-P-C4' energy: -4.799 flat angles P-C4'-P energy: -3.687 tors. eta vs tors. theta energy: -0.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 296 Temperature: 1.300000 Total energy: -32.975450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.975450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.975450 (E_RNA) where: Base-Base interactions energy: -10.014 where: short stacking energy: -10.014 Base-Backbone interact. energy: -0.000 local terms energy: -22.961398 where: bonds (distance) C4'-P energy: -4.523 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -6.658 flat angles P-C4'-P energy: -4.424 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: 6 ===================================== Write number: 296 Temperature: 1.350000 Total energy: -31.172623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.172623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.172623 (E_RNA) where: Base-Base interactions energy: -7.721 where: short stacking energy: -7.721 Base-Backbone interact. energy: -0.068 local terms energy: -23.382780 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -5.155 flat angles P-C4'-P energy: -3.557 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: 1, replica: 8 ===================================== Write number: 297 Temperature: 0.900000 Total energy: -38.475547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.475547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.475547 (E_RNA) where: Base-Base interactions energy: -16.981 where: short stacking energy: -16.981 Base-Backbone interact. energy: -0.005 local terms energy: -21.489799 where: bonds (distance) C4'-P energy: -4.400 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -5.370 flat angles P-C4'-P energy: -2.865 tors. eta vs tors. theta energy: -2.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 297 Temperature: 0.950000 Total energy: -41.939165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.939165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.939165 (E_RNA) where: Base-Base interactions energy: -16.200 where: short stacking energy: -16.200 Base-Backbone interact. energy: -0.000 local terms energy: -25.739090 where: bonds (distance) C4'-P energy: -5.286 bonds (distance) P-C4' energy: -5.600 flat angles C4'-P-C4' energy: -5.101 flat angles P-C4'-P energy: -5.231 tors. eta vs tors. theta energy: -4.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 297 Temperature: 1.000000 Total energy: -36.256588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.256588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.256588 (E_RNA) where: Base-Base interactions energy: -13.146 where: short stacking energy: -13.146 Base-Backbone interact. energy: -0.101 local terms energy: -23.009563 where: bonds (distance) C4'-P energy: -5.191 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -4.060 flat angles P-C4'-P energy: -3.282 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: 4, replica: 3 ===================================== Write number: 297 Temperature: 1.050000 Total energy: -31.976335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.976335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.976335 (E_RNA) where: Base-Base interactions energy: -8.938 where: short stacking energy: -8.938 Base-Backbone interact. energy: -0.030 local terms energy: -23.008365 where: bonds (distance) C4'-P energy: -4.024 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -6.010 flat angles P-C4'-P energy: -4.796 tors. eta vs tors. theta energy: -1.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 297 Temperature: 1.100000 Total energy: -33.134372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.134372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.134372 (E_RNA) where: Base-Base interactions energy: -9.892 where: short stacking energy: -9.892 Base-Backbone interact. energy: -0.004 local terms energy: -23.238913 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -6.024 flat angles P-C4'-P energy: -4.743 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: 6, replica: 4 ===================================== Write number: 297 Temperature: 1.150000 Total energy: -28.601677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.601677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.601677 (E_RNA) where: Base-Base interactions energy: -7.583 where: short stacking energy: -7.583 Base-Backbone interact. energy: -0.534 local terms energy: -20.484650 where: bonds (distance) C4'-P energy: -5.047 bonds (distance) P-C4' energy: -5.579 flat angles C4'-P-C4' energy: -5.921 flat angles P-C4'-P energy: -3.387 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: 7, replica: 9 ===================================== Write number: 297 Temperature: 1.200000 Total energy: -37.247698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.247698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.247698 (E_RNA) where: Base-Base interactions energy: -13.869 where: short stacking energy: -13.869 Base-Backbone interact. energy: -0.088 local terms energy: -23.290106 where: bonds (distance) C4'-P energy: -4.019 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -3.035 flat angles P-C4'-P energy: -3.935 tors. eta vs tors. theta energy: -5.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 297 Temperature: 1.250000 Total energy: -28.617794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.617794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.617794 (E_RNA) where: Base-Base interactions energy: -9.922 where: short stacking energy: -9.922 Base-Backbone interact. energy: -0.046 local terms energy: -18.649312 where: bonds (distance) C4'-P energy: -0.910 bonds (distance) P-C4' energy: -5.935 flat angles C4'-P-C4' energy: -6.131 flat angles P-C4'-P energy: -4.176 tors. eta vs tors. theta energy: -1.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 297 Temperature: 1.300000 Total energy: -31.433803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.433803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.433803 (E_RNA) where: Base-Base interactions energy: -8.772 where: short stacking energy: -9.039 Base-Backbone interact. energy: -0.004 local terms energy: -22.657508 where: bonds (distance) C4'-P energy: -5.766 bonds (distance) P-C4' energy: -6.407 flat angles C4'-P-C4' energy: -6.288 flat angles P-C4'-P energy: -2.236 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: 10, replica: 6 ===================================== Write number: 297 Temperature: 1.350000 Total energy: -28.949477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.949477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.949477 (E_RNA) where: Base-Base interactions energy: -5.927 where: short stacking energy: -5.927 Base-Backbone interact. energy: -0.025 local terms energy: -22.997543 where: bonds (distance) C4'-P energy: -5.750 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -4.157 flat angles P-C4'-P energy: -4.583 tors. eta vs tors. theta energy: -1.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 298 Temperature: 0.900000 Total energy: -34.352379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.352379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.352379 (E_RNA) where: Base-Base interactions energy: -9.512 where: short stacking energy: -9.512 Base-Backbone interact. energy: -0.002 local terms energy: -24.837487 where: bonds (distance) C4'-P energy: -5.518 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -5.342 flat angles P-C4'-P energy: -4.540 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: 2, replica: 8 ===================================== Write number: 298 Temperature: 0.950000 Total energy: -46.455060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.455060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.455060 (E_RNA) where: Base-Base interactions energy: -18.214 where: short stacking energy: -18.214 Base-Backbone interact. energy: -0.000 local terms energy: -28.240915 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -5.443 flat angles P-C4'-P energy: -5.496 tors. eta vs tors. theta energy: -5.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 298 Temperature: 1.000000 Total energy: -37.682635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.682635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.682635 (E_RNA) where: Base-Base interactions energy: -12.708 where: short stacking energy: -10.062 Base-Backbone interact. energy: -0.850 local terms energy: -24.124011 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -6.417 flat angles C4'-P-C4' energy: -3.638 flat angles P-C4'-P energy: -4.361 tors. eta vs tors. theta energy: -4.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 298 Temperature: 1.050000 Total energy: -37.531462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.531462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.531462 (E_RNA) where: Base-Base interactions energy: -13.211 where: short stacking energy: -13.211 Base-Backbone interact. energy: -0.002 local terms energy: -24.318450 where: bonds (distance) C4'-P energy: -5.013 bonds (distance) P-C4' energy: -6.438 flat angles C4'-P-C4' energy: -5.061 flat angles P-C4'-P energy: -4.220 tors. eta vs tors. theta energy: -3.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 298 Temperature: 1.100000 Total energy: -32.592742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.592742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.592742 (E_RNA) where: Base-Base interactions energy: -8.510 where: short stacking energy: -8.510 Base-Backbone interact. energy: -0.082 local terms energy: -24.001475 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -5.377 flat angles P-C4'-P energy: -5.316 tors. eta vs tors. theta energy: -0.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 298 Temperature: 1.150000 Total energy: -33.378332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.378332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.378332 (E_RNA) where: Base-Base interactions energy: -9.280 where: short stacking energy: -9.280 Base-Backbone interact. energy: -0.684 local terms energy: -23.413886 where: bonds (distance) C4'-P energy: -5.456 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.279 flat angles P-C4'-P energy: -5.278 tors. eta vs tors. theta energy: -0.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 298 Temperature: 1.200000 Total energy: -34.471991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.471991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.471991 (E_RNA) where: Base-Base interactions energy: -8.978 where: short stacking energy: -8.978 Base-Backbone interact. energy: -0.000 local terms energy: -25.494347 where: bonds (distance) C4'-P energy: -4.797 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -5.961 flat angles P-C4'-P energy: -4.704 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: 9 ===================================== Write number: 298 Temperature: 1.250000 Total energy: -31.562248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.562248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.562248 (E_RNA) where: Base-Base interactions energy: -8.811 where: short stacking energy: -8.811 Base-Backbone interact. energy: -0.001 local terms energy: -22.750275 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -5.935 flat angles C4'-P-C4' energy: -6.382 flat angles P-C4'-P energy: -3.547 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: 9, replica: 6 ===================================== Write number: 298 Temperature: 1.300000 Total energy: -31.526023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.526023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.526023 (E_RNA) where: Base-Base interactions energy: -9.013 where: short stacking energy: -9.013 Base-Backbone interact. energy: -0.012 local terms energy: -22.500129 where: bonds (distance) C4'-P energy: -5.075 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -5.183 flat angles P-C4'-P energy: -2.686 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: 10, replica: 1 ===================================== Write number: 298 Temperature: 1.350000 Total energy: -29.879586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.879586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.879586 (E_RNA) where: Base-Base interactions energy: -7.366 where: short stacking energy: -7.366 Base-Backbone interact. energy: -0.011 local terms energy: -22.503252 where: bonds (distance) C4'-P energy: -4.647 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -6.348 flat angles P-C4'-P energy: -3.059 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: 1, replica: 10 ===================================== Write number: 299 Temperature: 0.900000 Total energy: -42.405745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.405745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.405745 (E_RNA) where: Base-Base interactions energy: -13.697 where: short stacking energy: -13.697 Base-Backbone interact. energy: -0.000 local terms energy: -28.708266 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -6.201 flat angles P-C4'-P energy: -4.828 tors. eta vs tors. theta energy: -5.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 299 Temperature: 0.950000 Total energy: -41.848859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.848859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.848859 (E_RNA) where: Base-Base interactions energy: -16.095 where: short stacking energy: -15.938 Base-Backbone interact. energy: -0.104 local terms energy: -25.649562 where: bonds (distance) C4'-P energy: -5.837 bonds (distance) P-C4' energy: -5.970 flat angles C4'-P-C4' energy: -6.293 flat angles P-C4'-P energy: -4.468 tors. eta vs tors. theta energy: -3.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 299 Temperature: 1.000000 Total energy: -41.448755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.448755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.448755 (E_RNA) where: Base-Base interactions energy: -13.394 where: short stacking energy: -13.394 Base-Backbone interact. energy: -0.000 local terms energy: -28.054666 where: bonds (distance) C4'-P energy: -6.462 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -5.173 flat angles P-C4'-P energy: -4.475 tors. eta vs tors. theta energy: -5.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 299 Temperature: 1.050000 Total energy: -37.185041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.185041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.185041 (E_RNA) where: Base-Base interactions energy: -17.077 where: short stacking energy: -17.077 Base-Backbone interact. energy: -0.010 local terms energy: -20.097742 where: bonds (distance) C4'-P energy: -4.781 bonds (distance) P-C4' energy: -4.923 flat angles C4'-P-C4' energy: -3.797 flat angles P-C4'-P energy: -2.474 tors. eta vs tors. theta energy: -4.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 299 Temperature: 1.100000 Total energy: -38.240417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.240417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.240417 (E_RNA) where: Base-Base interactions energy: -13.649 where: short stacking energy: -13.649 Base-Backbone interact. energy: -0.000 local terms energy: -24.591705 where: bonds (distance) C4'-P energy: -6.569 bonds (distance) P-C4' energy: -3.656 flat angles C4'-P-C4' energy: -3.653 flat angles P-C4'-P energy: -3.576 tors. eta vs tors. theta energy: -7.138 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: 7 ===================================== Write number: 299 Temperature: 1.150000 Total energy: -32.040325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.040325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.040325 (E_RNA) where: Base-Base interactions energy: -11.348 where: short stacking energy: -11.348 Base-Backbone interact. energy: -0.005 local terms energy: -20.687880 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -6.763 flat angles P-C4'-P energy: -1.354 tors. eta vs tors. theta energy: -0.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 299 Temperature: 1.200000 Total energy: -30.041122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.041122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.041122 (E_RNA) where: Base-Base interactions energy: -8.939 where: short stacking energy: -8.939 Base-Backbone interact. energy: -0.000 local terms energy: -21.101571 where: bonds (distance) C4'-P energy: -5.287 bonds (distance) P-C4' energy: -4.868 flat angles C4'-P-C4' energy: -5.777 flat angles P-C4'-P energy: -4.267 tors. eta vs tors. theta energy: -0.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 299 Temperature: 1.250000 Total energy: -30.802647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.802647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.802647 (E_RNA) where: Base-Base interactions energy: -10.808 where: short stacking energy: -10.808 Base-Backbone interact. energy: -0.019 local terms energy: -19.975010 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -3.891 flat angles C4'-P-C4' energy: -4.981 flat angles P-C4'-P energy: -4.010 tors. eta vs tors. theta energy: -0.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 299 Temperature: 1.300000 Total energy: -38.124565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.124565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.124565 (E_RNA) where: Base-Base interactions energy: -11.778 where: short stacking energy: -11.778 Base-Backbone interact. energy: -0.005 local terms energy: -26.341541 where: bonds (distance) C4'-P energy: -6.354 bonds (distance) P-C4' energy: -5.864 flat angles C4'-P-C4' energy: -6.622 flat angles P-C4'-P energy: -3.120 tors. eta vs tors. theta energy: -4.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 299 Temperature: 1.350000 Total energy: -30.618904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.618904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.618904 (E_RNA) where: Base-Base interactions energy: -8.958 where: short stacking energy: -8.958 Base-Backbone interact. energy: -0.110 local terms energy: -21.551104 where: bonds (distance) C4'-P energy: -5.484 bonds (distance) P-C4' energy: -5.541 flat angles C4'-P-C4' energy: -5.422 flat angles P-C4'-P energy: -3.633 tors. eta vs tors. theta energy: -1.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 300 Temperature: 0.900000 Total energy: -34.742844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.742844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.742844 (E_RNA) where: Base-Base interactions energy: -8.378 where: short stacking energy: -8.378 Base-Backbone interact. energy: -0.007 local terms energy: -26.357107 where: bonds (distance) C4'-P energy: -4.815 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -6.607 flat angles P-C4'-P energy: -4.039 tors. eta vs tors. theta energy: -4.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 300 Temperature: 0.950000 Total energy: -36.153848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.153848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.153848 (E_RNA) where: Base-Base interactions energy: -13.308 where: short stacking energy: -13.308 Base-Backbone interact. energy: -0.034 local terms energy: -22.811751 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -5.512 flat angles C4'-P-C4' energy: -3.989 flat angles P-C4'-P energy: -4.256 tors. eta vs tors. theta energy: -3.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 300 Temperature: 1.000000 Total energy: -39.422745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.422745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.422745 (E_RNA) where: Base-Base interactions energy: -12.725 where: short stacking energy: -12.725 Base-Backbone interact. energy: -0.000 local terms energy: -26.697346 where: bonds (distance) C4'-P energy: -5.518 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -6.627 flat angles P-C4'-P energy: -3.586 tors. eta vs tors. theta energy: -4.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 300 Temperature: 1.050000 Total energy: -34.973804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.973804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.973804 (E_RNA) where: Base-Base interactions energy: -13.365 where: short stacking energy: -13.365 Base-Backbone interact. energy: -0.071 local terms energy: -21.537072 where: bonds (distance) C4'-P energy: -5.225 bonds (distance) P-C4' energy: -6.622 flat angles C4'-P-C4' energy: -5.504 flat angles P-C4'-P energy: -2.379 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: 5, replica: 5 ===================================== Write number: 300 Temperature: 1.100000 Total energy: -36.134334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.134334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.134334 (E_RNA) where: Base-Base interactions energy: -13.478 where: short stacking energy: -13.478 Base-Backbone interact. energy: -0.000 local terms energy: -22.656782 where: bonds (distance) C4'-P energy: -1.415 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -6.766 flat angles P-C4'-P energy: -3.399 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: 6, replica: 7 ===================================== Write number: 300 Temperature: 1.150000 Total energy: -39.965447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.965447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.965447 (E_RNA) where: Base-Base interactions energy: -16.094 where: short stacking energy: -16.094 Base-Backbone interact. energy: -0.000 local terms energy: -23.871669 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -4.477 flat angles P-C4'-P energy: -5.115 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: 6 ===================================== Write number: 300 Temperature: 1.200000 Total energy: -32.025517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.025517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.025517 (E_RNA) where: Base-Base interactions energy: -9.126 where: short stacking energy: -9.126 Base-Backbone interact. energy: -0.046 local terms energy: -22.853606 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -5.273 flat angles C4'-P-C4' energy: -4.704 flat angles P-C4'-P energy: -2.869 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: 8, replica: 2 ===================================== Write number: 300 Temperature: 1.250000 Total energy: -33.550135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.550135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.550135 (E_RNA) where: Base-Base interactions energy: -10.791 where: short stacking energy: -10.791 Base-Backbone interact. energy: -0.037 local terms energy: -22.721597 where: bonds (distance) C4'-P energy: -5.171 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -4.353 flat angles P-C4'-P energy: -3.843 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: 9, replica: 1 ===================================== Write number: 300 Temperature: 1.300000 Total energy: -30.855019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.855019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.855019 (E_RNA) where: Base-Base interactions energy: -5.751 where: short stacking energy: -5.751 Base-Backbone interact. energy: -0.029 local terms energy: -25.075658 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.891 flat angles P-C4'-P energy: -3.724 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: 9 ===================================== Write number: 300 Temperature: 1.350000 Total energy: -31.711443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.711443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.711443 (E_RNA) where: Base-Base interactions energy: -9.837 where: short stacking energy: -9.837 Base-Backbone interact. energy: -0.001 local terms energy: -21.873375 where: bonds (distance) C4'-P energy: -5.473 bonds (distance) P-C4' energy: -5.594 flat angles C4'-P-C4' energy: -6.181 flat angles P-C4'-P energy: -0.697 tors. eta vs tors. theta energy: -3.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 301 Temperature: 0.900000 Total energy: -35.685741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.685741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.685741 (E_RNA) where: Base-Base interactions energy: -12.822 where: short stacking energy: -12.822 Base-Backbone interact. energy: -0.033 local terms energy: -22.830871 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -5.566 flat angles C4'-P-C4' energy: -5.926 flat angles P-C4'-P energy: -2.759 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: 2, replica: 4 ===================================== Write number: 301 Temperature: 0.950000 Total energy: -34.022029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.022029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.022029 (E_RNA) where: Base-Base interactions energy: -12.418 where: short stacking energy: -12.418 Base-Backbone interact. energy: -0.018 local terms energy: -21.585372 where: bonds (distance) C4'-P energy: -4.238 bonds (distance) P-C4' energy: -5.018 flat angles C4'-P-C4' energy: -6.361 flat angles P-C4'-P energy: -4.482 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: 10 ===================================== Write number: 301 Temperature: 1.000000 Total energy: -37.194740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.194740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.194740 (E_RNA) where: Base-Base interactions energy: -11.698 where: short stacking energy: -11.698 Base-Backbone interact. energy: -0.000 local terms energy: -25.496909 where: bonds (distance) C4'-P energy: -3.655 bonds (distance) P-C4' energy: -7.130 flat angles C4'-P-C4' energy: -6.695 flat angles P-C4'-P energy: -3.120 tors. eta vs tors. theta energy: -4.897 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: 4, replica: 5 ===================================== Write number: 301 Temperature: 1.050000 Total energy: -39.016586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.016586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.016586 (E_RNA) where: Base-Base interactions energy: -17.819 where: short stacking energy: -17.819 Base-Backbone interact. energy: -0.017 local terms energy: -21.180681 where: bonds (distance) C4'-P energy: -5.091 bonds (distance) P-C4' energy: -5.318 flat angles C4'-P-C4' energy: -4.277 flat angles P-C4'-P energy: -2.279 tors. eta vs tors. theta energy: -4.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 301 Temperature: 1.100000 Total energy: -36.517054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.517054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.517054 (E_RNA) where: Base-Base interactions energy: -13.716 where: short stacking energy: -13.716 Base-Backbone interact. energy: -0.060 local terms energy: -22.740723 where: bonds (distance) C4'-P energy: -5.891 bonds (distance) P-C4' energy: -3.365 flat angles C4'-P-C4' energy: -5.975 flat angles P-C4'-P energy: -2.585 tors. eta vs tors. theta energy: -4.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 301 Temperature: 1.150000 Total energy: -33.432247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.432247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.432247 (E_RNA) where: Base-Base interactions energy: -13.529 where: short stacking energy: -13.529 Base-Backbone interact. energy: 0.763 local terms energy: -20.666566 where: bonds (distance) C4'-P energy: -2.616 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -5.237 flat angles P-C4'-P energy: -3.165 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: 7, replica: 7 ===================================== Write number: 301 Temperature: 1.200000 Total energy: -38.745349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.745349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.745349 (E_RNA) where: Base-Base interactions energy: -13.996 where: short stacking energy: -13.996 Base-Backbone interact. energy: -0.052 local terms energy: -24.697719 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -4.733 flat angles P-C4'-P energy: -4.036 tors. eta vs tors. theta energy: -3.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 301 Temperature: 1.250000 Total energy: -29.140128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.140128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.140128 (E_RNA) where: Base-Base interactions energy: -8.875 where: short stacking energy: -8.875 Base-Backbone interact. energy: -0.100 local terms energy: -20.165059 where: bonds (distance) C4'-P energy: -6.254 bonds (distance) P-C4' energy: -5.861 flat angles C4'-P-C4' energy: -2.861 flat angles P-C4'-P energy: -4.905 tors. eta vs tors. theta energy: -0.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 301 Temperature: 1.300000 Total energy: -35.286724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.286724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.286724 (E_RNA) where: Base-Base interactions energy: -13.519 where: short stacking energy: -13.519 Base-Backbone interact. energy: -0.000 local terms energy: -21.767602 where: bonds (distance) C4'-P energy: -2.707 bonds (distance) P-C4' energy: -3.826 flat angles C4'-P-C4' energy: -5.637 flat angles P-C4'-P energy: -4.455 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: 9 ===================================== Write number: 301 Temperature: 1.350000 Total energy: -27.714457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.714457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.714457 (E_RNA) where: Base-Base interactions energy: -12.017 where: short stacking energy: -12.017 Base-Backbone interact. energy: -0.069 local terms energy: -15.629141 where: bonds (distance) C4'-P energy: -3.142 bonds (distance) P-C4' energy: -5.916 flat angles C4'-P-C4' energy: -6.317 flat angles P-C4'-P energy: -1.300 tors. eta vs tors. theta energy: 1.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 302 Temperature: 0.900000 Total energy: -34.258894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.258894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.258894 (E_RNA) where: Base-Base interactions energy: -10.628 where: short stacking energy: -10.628 Base-Backbone interact. energy: -0.069 local terms energy: -23.561883 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -5.610 flat angles C4'-P-C4' energy: -6.350 flat angles P-C4'-P energy: -4.831 tors. eta vs tors. theta energy: -0.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 302 Temperature: 0.950000 Total energy: -36.645695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.645695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.645695 (E_RNA) where: Base-Base interactions energy: -12.551 where: short stacking energy: -12.551 Base-Backbone interact. energy: -0.008 local terms energy: -24.087165 where: bonds (distance) C4'-P energy: -6.023 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.715 flat angles P-C4'-P energy: -3.993 tors. eta vs tors. theta energy: -1.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 302 Temperature: 1.000000 Total energy: -37.711977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.711977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.711977 (E_RNA) where: Base-Base interactions energy: -14.208 where: short stacking energy: -14.208 Base-Backbone interact. energy: -0.000 local terms energy: -23.503766 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.798 flat angles P-C4'-P energy: -1.819 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: 4, replica: 10 ===================================== Write number: 302 Temperature: 1.050000 Total energy: -32.599758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.599758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.599758 (E_RNA) where: Base-Base interactions energy: -9.295 where: short stacking energy: -9.295 Base-Backbone interact. energy: -0.029 local terms energy: -23.275835 where: bonds (distance) C4'-P energy: -4.781 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -4.420 flat angles P-C4'-P energy: -4.575 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: 5, replica: 8 ===================================== Write number: 302 Temperature: 1.100000 Total energy: -35.291823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.291823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.291823 (E_RNA) where: Base-Base interactions energy: -11.452 where: short stacking energy: -11.053 Base-Backbone interact. energy: -0.000 local terms energy: -23.839849 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -5.253 flat angles P-C4'-P energy: -2.666 tors. eta vs tors. theta energy: -3.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 302 Temperature: 1.150000 Total energy: -29.923491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.923491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.923491 (E_RNA) where: Base-Base interactions energy: -9.449 where: short stacking energy: -9.449 Base-Backbone interact. energy: 1.674 local terms energy: -22.148821 where: bonds (distance) C4'-P energy: -5.365 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -6.026 flat angles P-C4'-P energy: -2.626 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: 7, replica: 1 ===================================== Write number: 302 Temperature: 1.200000 Total energy: -31.321087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.321087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.321087 (E_RNA) where: Base-Base interactions energy: -11.950 where: short stacking energy: -11.950 Base-Backbone interact. energy: -0.095 local terms energy: -19.275173 where: bonds (distance) C4'-P energy: -0.486 bonds (distance) P-C4' energy: -6.181 flat angles C4'-P-C4' energy: -4.792 flat angles P-C4'-P energy: -5.201 tors. eta vs tors. theta energy: -2.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 302 Temperature: 1.250000 Total energy: -38.477279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.477279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.477279 (E_RNA) where: Base-Base interactions energy: -12.691 where: short stacking energy: -12.691 Base-Backbone interact. energy: -0.000 local terms energy: -25.786770 where: bonds (distance) C4'-P energy: -4.864 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.972 flat angles P-C4'-P energy: -4.431 tors. eta vs tors. theta energy: -3.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 302 Temperature: 1.300000 Total energy: -35.076744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.076744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.076744 (E_RNA) where: Base-Base interactions energy: -12.310 where: short stacking energy: -12.310 Base-Backbone interact. energy: -0.110 local terms energy: -22.656992 where: bonds (distance) C4'-P energy: -3.282 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -5.765 flat angles P-C4'-P energy: -4.899 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: 10, replica: 9 ===================================== Write number: 302 Temperature: 1.350000 Total energy: -26.309387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.309387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.309387 (E_RNA) where: Base-Base interactions energy: -8.702 where: short stacking energy: -8.702 Base-Backbone interact. energy: -0.044 local terms energy: -17.563776 where: bonds (distance) C4'-P energy: -3.878 bonds (distance) P-C4' energy: -4.031 flat angles C4'-P-C4' energy: -3.011 flat angles P-C4'-P energy: -4.239 tors. eta vs tors. theta energy: -2.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 303 Temperature: 0.900000 Total energy: -43.010392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.010392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.010392 (E_RNA) where: Base-Base interactions energy: -14.271 where: short stacking energy: -14.271 Base-Backbone interact. energy: 0.067 local terms energy: -28.806510 where: bonds (distance) C4'-P energy: -6.139 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -5.762 flat angles P-C4'-P energy: -4.014 tors. eta vs tors. theta energy: -6.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 303 Temperature: 0.950000 Total energy: -33.808924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.808924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.808924 (E_RNA) where: Base-Base interactions energy: -12.943 where: short stacking energy: -12.943 Base-Backbone interact. energy: -0.068 local terms energy: -20.798411 where: bonds (distance) C4'-P energy: -3.270 bonds (distance) P-C4' energy: -6.153 flat angles C4'-P-C4' energy: -5.119 flat angles P-C4'-P energy: -4.845 tors. eta vs tors. theta energy: -1.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 303 Temperature: 1.000000 Total energy: -37.623645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.623645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.623645 (E_RNA) where: Base-Base interactions energy: -14.595 where: short stacking energy: -14.595 Base-Backbone interact. energy: -0.013 local terms energy: -23.014999 where: bonds (distance) C4'-P energy: -4.400 bonds (distance) P-C4' energy: -5.600 flat angles C4'-P-C4' energy: -6.167 flat angles P-C4'-P energy: -4.511 tors. eta vs tors. theta energy: -2.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 303 Temperature: 1.050000 Total energy: -37.787226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.787226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.787226 (E_RNA) where: Base-Base interactions energy: -12.285 where: short stacking energy: -12.285 Base-Backbone interact. energy: -0.008 local terms energy: -25.494371 where: bonds (distance) C4'-P energy: -5.696 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.334 flat angles P-C4'-P energy: -4.351 tors. eta vs tors. theta energy: -3.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 303 Temperature: 1.100000 Total energy: -37.784736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.784736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.784736 (E_RNA) where: Base-Base interactions energy: -13.321 where: short stacking energy: -13.321 Base-Backbone interact. energy: -0.009 local terms energy: -24.454609 where: bonds (distance) C4'-P energy: -5.600 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -5.459 flat angles P-C4'-P energy: -3.862 tors. eta vs tors. theta energy: -2.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 303 Temperature: 1.150000 Total energy: -33.652742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.652742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.652742 (E_RNA) where: Base-Base interactions energy: -9.206 where: short stacking energy: -9.206 Base-Backbone interact. energy: -0.000 local terms energy: -24.446988 where: bonds (distance) C4'-P energy: -5.750 bonds (distance) P-C4' energy: -7.144 flat angles C4'-P-C4' energy: -4.914 flat angles P-C4'-P energy: -3.369 tors. eta vs tors. theta energy: -3.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 303 Temperature: 1.200000 Total energy: -30.352078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.352078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.352078 (E_RNA) where: Base-Base interactions energy: -8.196 where: short stacking energy: -8.196 Base-Backbone interact. energy: 0.070 local terms energy: -22.226475 where: bonds (distance) C4'-P energy: -6.014 bonds (distance) P-C4' energy: -5.770 flat angles C4'-P-C4' energy: -4.948 flat angles P-C4'-P energy: -2.429 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: 8, replica: 2 ===================================== Write number: 303 Temperature: 1.250000 Total energy: -29.942463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.942463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.942463 (E_RNA) where: Base-Base interactions energy: -8.660 where: short stacking energy: -8.660 Base-Backbone interact. energy: -0.174 local terms energy: -21.109260 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.624 flat angles P-C4'-P energy: -4.389 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: 9, replica: 7 ===================================== Write number: 303 Temperature: 1.300000 Total energy: -32.548830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.548830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.548830 (E_RNA) where: Base-Base interactions energy: -10.745 where: short stacking energy: -10.745 Base-Backbone interact. energy: -0.000 local terms energy: -21.803509 where: bonds (distance) C4'-P energy: -3.572 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.789 flat angles P-C4'-P energy: -4.772 tors. eta vs tors. theta energy: -1.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 303 Temperature: 1.350000 Total energy: -32.580354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.580354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.580354 (E_RNA) where: Base-Base interactions energy: -12.259 where: short stacking energy: -12.259 Base-Backbone interact. energy: -0.000 local terms energy: -20.321377 where: bonds (distance) C4'-P energy: -5.866 bonds (distance) P-C4' energy: -3.374 flat angles C4'-P-C4' energy: -4.643 flat angles P-C4'-P energy: -3.355 tors. eta vs tors. theta energy: -3.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 304 Temperature: 0.900000 Total energy: -40.573333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.573333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.573333 (E_RNA) where: Base-Base interactions energy: -13.120 where: short stacking energy: -13.120 Base-Backbone interact. energy: -0.001 local terms energy: -27.452900 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -4.723 flat angles P-C4'-P energy: -5.190 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: 3 ===================================== Write number: 304 Temperature: 0.950000 Total energy: -42.803060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.803060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.803060 (E_RNA) where: Base-Base interactions energy: -16.822 where: short stacking energy: -16.822 Base-Backbone interact. energy: -0.000 local terms energy: -25.980749 where: bonds (distance) C4'-P energy: -4.959 bonds (distance) P-C4' energy: -6.156 flat angles C4'-P-C4' energy: -5.996 flat angles P-C4'-P energy: -5.412 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: 3, replica: 8 ===================================== Write number: 304 Temperature: 1.000000 Total energy: -38.474344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.474344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.474344 (E_RNA) where: Base-Base interactions energy: -14.926 where: short stacking energy: -14.926 Base-Backbone interact. energy: -0.706 local terms energy: -22.841857 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -5.600 flat angles C4'-P-C4' energy: -5.037 flat angles P-C4'-P energy: -2.651 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: 4, replica: 4 ===================================== Write number: 304 Temperature: 1.050000 Total energy: -40.694468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.694468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.694468 (E_RNA) where: Base-Base interactions energy: -17.045 where: short stacking energy: -17.045 Base-Backbone interact. energy: -0.000 local terms energy: -23.649918 where: bonds (distance) C4'-P energy: -4.603 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -6.381 flat angles P-C4'-P energy: -2.301 tors. eta vs tors. theta energy: -4.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 304 Temperature: 1.100000 Total energy: -37.178640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.178640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.178640 (E_RNA) where: Base-Base interactions energy: -13.012 where: short stacking energy: -13.012 Base-Backbone interact. energy: 0.284 local terms energy: -24.450602 where: bonds (distance) C4'-P energy: -4.318 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -6.167 flat angles P-C4'-P energy: -3.830 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: 6, replica: 10 ===================================== Write number: 304 Temperature: 1.150000 Total energy: -30.709896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.709896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.709896 (E_RNA) where: Base-Base interactions energy: -9.667 where: short stacking energy: -9.141 Base-Backbone interact. energy: -0.261 local terms energy: -20.781436 where: bonds (distance) C4'-P energy: -3.678 bonds (distance) P-C4' energy: -6.202 flat angles C4'-P-C4' energy: -6.466 flat angles P-C4'-P energy: -3.419 tors. eta vs tors. theta energy: -1.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 304 Temperature: 1.200000 Total energy: -33.586172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.586172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.586172 (E_RNA) where: Base-Base interactions energy: -11.939 where: short stacking energy: -11.939 Base-Backbone interact. energy: -0.038 local terms energy: -21.608409 where: bonds (distance) C4'-P energy: -4.392 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -4.683 flat angles P-C4'-P energy: -3.409 tors. eta vs tors. theta energy: -3.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 304 Temperature: 1.250000 Total energy: -33.383189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.383189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.383189 (E_RNA) where: Base-Base interactions energy: -8.205 where: short stacking energy: -7.756 Base-Backbone interact. energy: -0.017 local terms energy: -25.161298 where: bonds (distance) C4'-P energy: -3.779 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -4.696 flat angles P-C4'-P energy: -4.820 tors. eta vs tors. theta energy: -4.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 304 Temperature: 1.300000 Total energy: -31.770694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.770694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.770694 (E_RNA) where: Base-Base interactions energy: -9.777 where: short stacking energy: -9.777 Base-Backbone interact. energy: -0.001 local terms energy: -21.992746 where: bonds (distance) C4'-P energy: -5.419 bonds (distance) P-C4' energy: -3.237 flat angles C4'-P-C4' energy: -5.079 flat angles P-C4'-P energy: -4.544 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: 10, replica: 7 ===================================== Write number: 304 Temperature: 1.350000 Total energy: -26.929334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.929334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.929334 (E_RNA) where: Base-Base interactions energy: -9.598 where: short stacking energy: -9.598 Base-Backbone interact. energy: -0.022 local terms energy: -17.309757 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -2.039 flat angles P-C4'-P energy: -3.512 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: 1, replica: 5 ===================================== Write number: 305 Temperature: 0.900000 Total energy: -40.344510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.344510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.344510 (E_RNA) where: Base-Base interactions energy: -16.640 where: short stacking energy: -16.640 Base-Backbone interact. energy: -0.000 local terms energy: -23.704226 where: bonds (distance) C4'-P energy: -5.518 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -4.032 flat angles P-C4'-P energy: -4.233 tors. eta vs tors. theta energy: -3.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 305 Temperature: 0.950000 Total energy: -40.773935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.773935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.773935 (E_RNA) where: Base-Base interactions energy: -16.789 where: short stacking energy: -16.789 Base-Backbone interact. energy: -0.001 local terms energy: -23.983652 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -5.920 flat angles C4'-P-C4' energy: -6.011 flat angles P-C4'-P energy: -4.683 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: 3, replica: 3 ===================================== Write number: 305 Temperature: 1.000000 Total energy: -35.051879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.051879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.051879 (E_RNA) where: Base-Base interactions energy: -12.233 where: short stacking energy: -12.233 Base-Backbone interact. energy: -0.007 local terms energy: -22.811272 where: bonds (distance) C4'-P energy: -4.905 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -4.916 flat angles P-C4'-P energy: -4.676 tors. eta vs tors. theta energy: -2.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 305 Temperature: 1.050000 Total energy: -37.657459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.657459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.657459 (E_RNA) where: Base-Base interactions energy: -13.914 where: short stacking energy: -13.914 Base-Backbone interact. energy: -0.000 local terms energy: -23.743227 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -6.240 flat angles P-C4'-P energy: -2.803 tors. eta vs tors. theta energy: -2.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 305 Temperature: 1.100000 Total energy: -36.557346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.557346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.557346 (E_RNA) where: Base-Base interactions energy: -13.614 where: short stacking energy: -13.614 Base-Backbone interact. energy: -0.001 local terms energy: -22.942744 where: bonds (distance) C4'-P energy: -4.624 bonds (distance) P-C4' energy: -6.389 flat angles C4'-P-C4' energy: -6.162 flat angles P-C4'-P energy: -3.749 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: 6, replica: 2 ===================================== Write number: 305 Temperature: 1.150000 Total energy: -34.173772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.173772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.173772 (E_RNA) where: Base-Base interactions energy: -12.173 where: short stacking energy: -12.173 Base-Backbone interact. energy: -0.013 local terms energy: -21.988012 where: bonds (distance) C4'-P energy: -4.242 bonds (distance) P-C4' energy: -6.873 flat angles C4'-P-C4' energy: -5.954 flat angles P-C4'-P energy: -4.537 tors. eta vs tors. theta energy: -0.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 305 Temperature: 1.200000 Total energy: -31.311874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.311874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.311874 (E_RNA) where: Base-Base interactions energy: -12.366 where: short stacking energy: -12.366 Base-Backbone interact. energy: 0.313 local terms energy: -19.258268 where: bonds (distance) C4'-P energy: -5.199 bonds (distance) P-C4' energy: -6.184 flat angles C4'-P-C4' energy: -3.665 flat angles P-C4'-P energy: -3.646 tors. eta vs tors. theta energy: -0.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 305 Temperature: 1.250000 Total energy: -34.522016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.522016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.522016 (E_RNA) where: Base-Base interactions energy: -11.352 where: short stacking energy: -11.352 Base-Backbone interact. energy: -0.000 local terms energy: -23.170346 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -5.445 flat angles P-C4'-P energy: -4.525 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: 6 ===================================== Write number: 305 Temperature: 1.300000 Total energy: -33.719073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.719073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.719073 (E_RNA) where: Base-Base interactions energy: -10.098 where: short stacking energy: -9.762 Base-Backbone interact. energy: -0.004 local terms energy: -23.618012 where: bonds (distance) C4'-P energy: -5.837 bonds (distance) P-C4' energy: -5.956 flat angles C4'-P-C4' energy: -5.453 flat angles P-C4'-P energy: -4.054 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: 10, replica: 7 ===================================== Write number: 305 Temperature: 1.350000 Total energy: -31.428461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.428461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.428461 (E_RNA) where: Base-Base interactions energy: -12.165 where: short stacking energy: -12.165 Base-Backbone interact. energy: -0.000 local terms energy: -19.263138 where: bonds (distance) C4'-P energy: -4.110 bonds (distance) P-C4' energy: -4.032 flat angles C4'-P-C4' energy: -3.228 flat angles P-C4'-P energy: -3.199 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: 1, replica: 5 ===================================== Write number: 306 Temperature: 0.900000 Total energy: -42.895318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.895318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.895318 (E_RNA) where: Base-Base interactions energy: -14.533 where: short stacking energy: -14.533 Base-Backbone interact. energy: -0.000 local terms energy: -28.362312 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -6.202 flat angles C4'-P-C4' energy: -4.972 flat angles P-C4'-P energy: -4.678 tors. eta vs tors. theta energy: -6.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 306 Temperature: 0.950000 Total energy: -30.754124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.754124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.754124 (E_RNA) where: Base-Base interactions energy: -7.659 where: short stacking energy: -7.659 Base-Backbone interact. energy: -0.014 local terms energy: -23.081647 where: bonds (distance) C4'-P energy: -4.756 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -3.941 flat angles P-C4'-P energy: -4.339 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: 4 ===================================== Write number: 306 Temperature: 1.000000 Total energy: -34.661662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.661662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.661662 (E_RNA) where: Base-Base interactions energy: -11.197 where: short stacking energy: -11.197 Base-Backbone interact. energy: -0.099 local terms energy: -23.365647 where: bonds (distance) C4'-P energy: -5.481 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -4.810 flat angles P-C4'-P energy: -4.281 tors. eta vs tors. theta energy: -1.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 306 Temperature: 1.050000 Total energy: -38.076012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.076012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.076012 (E_RNA) where: Base-Base interactions energy: -14.008 where: short stacking energy: -14.008 Base-Backbone interact. energy: -0.000 local terms energy: -24.068186 where: bonds (distance) C4'-P energy: -4.763 bonds (distance) P-C4' energy: -6.886 flat angles C4'-P-C4' energy: -4.564 flat angles P-C4'-P energy: -4.744 tors. eta vs tors. theta energy: -3.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 306 Temperature: 1.100000 Total energy: -28.875612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.875612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.875612 (E_RNA) where: Base-Base interactions energy: -9.265 where: short stacking energy: -9.265 Base-Backbone interact. energy: -0.000 local terms energy: -19.610279 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -2.699 flat angles C4'-P-C4' energy: -6.370 flat angles P-C4'-P energy: -2.763 tors. eta vs tors. theta energy: -1.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 306 Temperature: 1.150000 Total energy: -33.662705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.662705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.662705 (E_RNA) where: Base-Base interactions energy: -11.709 where: short stacking energy: -11.709 Base-Backbone interact. energy: -0.011 local terms energy: -21.943216 where: bonds (distance) C4'-P energy: -4.471 bonds (distance) P-C4' energy: -4.532 flat angles C4'-P-C4' energy: -6.049 flat angles P-C4'-P energy: -3.174 tors. eta vs tors. theta energy: -3.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 306 Temperature: 1.200000 Total energy: -30.439946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.439946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.439946 (E_RNA) where: Base-Base interactions energy: -8.869 where: short stacking energy: -8.869 Base-Backbone interact. energy: -0.011 local terms energy: -21.559890 where: bonds (distance) C4'-P energy: -3.146 bonds (distance) P-C4' energy: -6.174 flat angles C4'-P-C4' energy: -5.103 flat angles P-C4'-P energy: -3.140 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: 8, replica: 10 ===================================== Write number: 306 Temperature: 1.250000 Total energy: -28.776854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.776854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.776854 (E_RNA) where: Base-Base interactions energy: -10.025 where: short stacking energy: -10.025 Base-Backbone interact. energy: -0.016 local terms energy: -18.736476 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -4.835 flat angles C4'-P-C4' energy: -4.998 flat angles P-C4'-P energy: -2.524 tors. eta vs tors. theta energy: -0.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 306 Temperature: 1.300000 Total energy: -30.370199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.370199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.370199 (E_RNA) where: Base-Base interactions energy: -9.442 where: short stacking energy: -9.442 Base-Backbone interact. energy: -0.158 local terms energy: -20.769925 where: bonds (distance) C4'-P energy: -4.126 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -4.609 flat angles P-C4'-P energy: -3.506 tors. eta vs tors. theta energy: -1.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 306 Temperature: 1.350000 Total energy: -29.131340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.131340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.131340 (E_RNA) where: Base-Base interactions energy: -7.305 where: short stacking energy: -7.305 Base-Backbone interact. energy: 0.093 local terms energy: -21.919567 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -6.097 flat angles C4'-P-C4' energy: -6.503 flat angles P-C4'-P energy: -3.329 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: 1, replica: 5 ===================================== Write number: 307 Temperature: 0.900000 Total energy: -44.384538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.384538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.384538 (E_RNA) where: Base-Base interactions energy: -17.807 where: short stacking energy: -17.807 Base-Backbone interact. energy: -0.000 local terms energy: -26.577420 where: bonds (distance) C4'-P energy: -5.340 bonds (distance) P-C4' energy: -6.177 flat angles C4'-P-C4' energy: -6.234 flat angles P-C4'-P energy: -3.815 tors. eta vs tors. theta energy: -5.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 307 Temperature: 0.950000 Total energy: -37.735619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.735619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.735619 (E_RNA) where: Base-Base interactions energy: -14.701 where: short stacking energy: -14.701 Base-Backbone interact. energy: -0.121 local terms energy: -22.913316 where: bonds (distance) C4'-P energy: -4.690 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -6.524 flat angles P-C4'-P energy: -3.901 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: 3, replica: 4 ===================================== Write number: 307 Temperature: 1.000000 Total energy: -35.659180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.659180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.659180 (E_RNA) where: Base-Base interactions energy: -12.786 where: short stacking energy: -12.786 Base-Backbone interact. energy: -1.758 local terms energy: -21.114798 where: bonds (distance) C4'-P energy: -4.330 bonds (distance) P-C4' energy: -4.994 flat angles C4'-P-C4' energy: -5.532 flat angles P-C4'-P energy: -4.477 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: 2 ===================================== Write number: 307 Temperature: 1.050000 Total energy: -38.924807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.924807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.924807 (E_RNA) where: Base-Base interactions energy: -12.788 where: short stacking energy: -12.788 Base-Backbone interact. energy: -0.000 local terms energy: -26.136966 where: bonds (distance) C4'-P energy: -6.014 bonds (distance) P-C4' energy: -5.597 flat angles C4'-P-C4' energy: -6.186 flat angles P-C4'-P energy: -4.149 tors. eta vs tors. theta energy: -4.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 307 Temperature: 1.100000 Total energy: -37.789447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.789447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.789447 (E_RNA) where: Base-Base interactions energy: -14.144 where: short stacking energy: -14.144 Base-Backbone interact. energy: -0.076 local terms energy: -23.569488 where: bonds (distance) C4'-P energy: -3.609 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.318 flat angles P-C4'-P energy: -4.887 tors. eta vs tors. theta energy: -3.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 307 Temperature: 1.150000 Total energy: -34.693504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.693504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.693504 (E_RNA) where: Base-Base interactions energy: -11.487 where: short stacking energy: -11.487 Base-Backbone interact. energy: -0.006 local terms energy: -23.200493 where: bonds (distance) C4'-P energy: -5.608 bonds (distance) P-C4' energy: -4.466 flat angles C4'-P-C4' energy: -6.028 flat angles P-C4'-P energy: -4.436 tors. eta vs tors. theta energy: -2.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 307 Temperature: 1.200000 Total energy: -32.761083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.761083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.761083 (E_RNA) where: Base-Base interactions energy: -11.199 where: short stacking energy: -11.199 Base-Backbone interact. energy: -0.020 local terms energy: -21.541631 where: bonds (distance) C4'-P energy: -5.117 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -5.606 flat angles P-C4'-P energy: -0.501 tors. eta vs tors. theta energy: -4.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 307 Temperature: 1.250000 Total energy: -28.339713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.339713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.339713 (E_RNA) where: Base-Base interactions energy: -9.562 where: short stacking energy: -9.562 Base-Backbone interact. energy: -0.001 local terms energy: -18.777179 where: bonds (distance) C4'-P energy: -4.106 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -3.622 flat angles P-C4'-P energy: -3.373 tors. eta vs tors. theta energy: -1.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 307 Temperature: 1.300000 Total energy: -29.228417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.228417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.228417 (E_RNA) where: Base-Base interactions energy: -7.403 where: short stacking energy: -7.403 Base-Backbone interact. energy: -0.000 local terms energy: -21.825414 where: bonds (distance) C4'-P energy: -5.456 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -4.165 flat angles P-C4'-P energy: -3.112 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: 10, replica: 6 ===================================== Write number: 307 Temperature: 1.350000 Total energy: -33.889258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.889258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.889258 (E_RNA) where: Base-Base interactions energy: -14.512 where: short stacking energy: -14.512 Base-Backbone interact. energy: -0.012 local terms energy: -19.365210 where: bonds (distance) C4'-P energy: -2.516 bonds (distance) P-C4' energy: -5.085 flat angles C4'-P-C4' energy: -4.030 flat angles P-C4'-P energy: -4.037 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: 1, replica: 5 ===================================== Write number: 308 Temperature: 0.900000 Total energy: -39.186296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.186296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.186296 (E_RNA) where: Base-Base interactions energy: -14.423 where: short stacking energy: -14.423 Base-Backbone interact. energy: -0.000 local terms energy: -24.763490 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -5.091 flat angles P-C4'-P energy: -3.851 tors. eta vs tors. theta energy: -4.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 308 Temperature: 0.950000 Total energy: -38.718210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.718210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.718210 (E_RNA) where: Base-Base interactions energy: -13.722 where: short stacking energy: -13.722 Base-Backbone interact. energy: -0.000 local terms energy: -24.996052 where: bonds (distance) C4'-P energy: -5.108 bonds (distance) P-C4' energy: -5.346 flat angles C4'-P-C4' energy: -3.122 flat angles P-C4'-P energy: -5.423 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: 2 ===================================== Write number: 308 Temperature: 1.000000 Total energy: -32.484921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.484921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.484921 (E_RNA) where: Base-Base interactions energy: -12.785 where: short stacking energy: -12.785 Base-Backbone interact. energy: -0.000 local terms energy: -19.699219 where: bonds (distance) C4'-P energy: -4.508 bonds (distance) P-C4' energy: -6.678 flat angles C4'-P-C4' energy: -4.110 flat angles P-C4'-P energy: -3.718 tors. eta vs tors. theta energy: -0.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 308 Temperature: 1.050000 Total energy: -32.157155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.157155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.157155 (E_RNA) where: Base-Base interactions energy: -10.560 where: short stacking energy: -10.560 Base-Backbone interact. energy: -0.033 local terms energy: -21.564472 where: bonds (distance) C4'-P energy: -5.295 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -5.390 flat angles P-C4'-P energy: -2.474 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: 5, replica: 3 ===================================== Write number: 308 Temperature: 1.100000 Total energy: -32.441322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.441322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.441322 (E_RNA) where: Base-Base interactions energy: -12.277 where: short stacking energy: -12.277 Base-Backbone interact. energy: -0.001 local terms energy: -20.163504 where: bonds (distance) C4'-P energy: -3.518 bonds (distance) P-C4' energy: -2.441 flat angles C4'-P-C4' energy: -5.438 flat angles P-C4'-P energy: -4.175 tors. eta vs tors. theta energy: -4.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 308 Temperature: 1.150000 Total energy: -29.581454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.581454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.581454 (E_RNA) where: Base-Base interactions energy: -10.460 where: short stacking energy: -10.460 Base-Backbone interact. energy: -0.078 local terms energy: -19.043685 where: bonds (distance) C4'-P energy: -4.975 bonds (distance) P-C4' energy: -6.407 flat angles C4'-P-C4' energy: -4.533 flat angles P-C4'-P energy: -3.221 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: 7, replica: 7 ===================================== Write number: 308 Temperature: 1.200000 Total energy: -33.890506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.890506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.890506 (E_RNA) where: Base-Base interactions energy: -9.303 where: short stacking energy: -9.303 Base-Backbone interact. energy: -0.000 local terms energy: -24.587994 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -5.189 flat angles P-C4'-P energy: -3.660 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: 8, replica: 1 ===================================== Write number: 308 Temperature: 1.250000 Total energy: -30.556971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.556971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.556971 (E_RNA) where: Base-Base interactions energy: -10.504 where: short stacking energy: -10.220 Base-Backbone interact. energy: -0.118 local terms energy: -19.934218 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -5.970 flat angles C4'-P-C4' energy: -4.552 flat angles P-C4'-P energy: -3.843 tors. eta vs tors. theta energy: 0.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 308 Temperature: 1.300000 Total energy: -26.244918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.244918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.244918 (E_RNA) where: Base-Base interactions energy: -8.352 where: short stacking energy: -8.352 Base-Backbone interact. energy: -0.181 local terms energy: -17.711641 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -5.364 flat angles C4'-P-C4' energy: -5.626 flat angles P-C4'-P energy: -3.784 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: 10, replica: 10 ===================================== Write number: 308 Temperature: 1.350000 Total energy: -33.322576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.322576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.322576 (E_RNA) where: Base-Base interactions energy: -12.401 where: short stacking energy: -12.401 Base-Backbone interact. energy: -0.000 local terms energy: -20.921372 where: bonds (distance) C4'-P energy: -2.358 bonds (distance) P-C4' energy: -3.803 flat angles C4'-P-C4' energy: -5.380 flat angles P-C4'-P energy: -2.998 tors. eta vs tors. theta energy: -6.382 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: 5 ===================================== Write number: 309 Temperature: 0.900000 Total energy: -38.181486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.181486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.181486 (E_RNA) where: Base-Base interactions energy: -17.731 where: short stacking energy: -17.731 Base-Backbone interact. energy: -0.004 local terms energy: -20.447219 where: bonds (distance) C4'-P energy: -4.392 bonds (distance) P-C4' energy: -5.597 flat angles C4'-P-C4' energy: -4.926 flat angles P-C4'-P energy: -3.251 tors. eta vs tors. theta energy: -2.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 309 Temperature: 0.950000 Total energy: -39.758080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.758080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.758080 (E_RNA) where: Base-Base interactions energy: -16.455 where: short stacking energy: -16.455 Base-Backbone interact. energy: -0.021 local terms energy: -23.282917 where: bonds (distance) C4'-P energy: -3.655 bonds (distance) P-C4' energy: -6.128 flat angles C4'-P-C4' energy: -5.322 flat angles P-C4'-P energy: -4.902 tors. eta vs tors. theta energy: -3.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 309 Temperature: 1.000000 Total energy: -33.801422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.801422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.801422 (E_RNA) where: Base-Base interactions energy: -12.974 where: short stacking energy: -12.974 Base-Backbone interact. energy: -0.001 local terms energy: -20.826669 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -4.416 flat angles C4'-P-C4' energy: -6.207 flat angles P-C4'-P energy: -3.718 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: 4, replica: 4 ===================================== Write number: 309 Temperature: 1.050000 Total energy: -39.504702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.504702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.504702 (E_RNA) where: Base-Base interactions energy: -13.212 where: short stacking energy: -13.212 Base-Backbone interact. energy: -0.000 local terms energy: -26.292808 where: bonds (distance) C4'-P energy: -4.996 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -2.796 flat angles P-C4'-P energy: -5.344 tors. eta vs tors. theta energy: -6.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 309 Temperature: 1.100000 Total energy: -32.870261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.870261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.870261 (E_RNA) where: Base-Base interactions energy: -9.733 where: short stacking energy: -9.733 Base-Backbone interact. energy: -0.000 local terms energy: -23.137241 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -4.537 flat angles P-C4'-P energy: -3.477 tors. eta vs tors. theta energy: -3.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 309 Temperature: 1.150000 Total energy: -35.308363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.308363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.308363 (E_RNA) where: Base-Base interactions energy: -14.626 where: short stacking energy: -14.626 Base-Backbone interact. energy: -0.001 local terms energy: -20.680652 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -5.830 flat angles C4'-P-C4' energy: -3.318 flat angles P-C4'-P energy: -2.927 tors. eta vs tors. theta energy: -2.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 309 Temperature: 1.200000 Total energy: -30.935039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.935039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.935039 (E_RNA) where: Base-Base interactions energy: -8.728 where: short stacking energy: -8.728 Base-Backbone interact. energy: -0.000 local terms energy: -22.207489 where: bonds (distance) C4'-P energy: -5.357 bonds (distance) P-C4' energy: -6.382 flat angles C4'-P-C4' energy: -5.938 flat angles P-C4'-P energy: -3.792 tors. eta vs tors. theta energy: -0.739 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: 6 ===================================== Write number: 309 Temperature: 1.250000 Total energy: -33.338752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.338752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.338752 (E_RNA) where: Base-Base interactions energy: -10.173 where: short stacking energy: -10.173 Base-Backbone interact. energy: -0.000 local terms energy: -23.165378 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -4.593 flat angles P-C4'-P energy: -3.108 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: 9, replica: 1 ===================================== Write number: 309 Temperature: 1.300000 Total energy: -30.698174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.698174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.698174 (E_RNA) where: Base-Base interactions energy: -13.018 where: short stacking energy: -13.018 Base-Backbone interact. energy: -0.000 local terms energy: -17.680194 where: bonds (distance) C4'-P energy: -5.191 bonds (distance) P-C4' energy: -5.966 flat angles C4'-P-C4' energy: -3.545 flat angles P-C4'-P energy: -2.403 tors. eta vs tors. theta energy: -0.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 309 Temperature: 1.350000 Total energy: -28.019138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.019138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.019138 (E_RNA) where: Base-Base interactions energy: -5.431 where: short stacking energy: -5.431 Base-Backbone interact. energy: -0.589 local terms energy: -21.998459 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -6.148 flat angles P-C4'-P energy: -2.796 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: 1, replica: 2 ===================================== Write number: 310 Temperature: 0.900000 Total energy: -43.139837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.139837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.139837 (E_RNA) where: Base-Base interactions energy: -17.482 where: short stacking energy: -17.482 Base-Backbone interact. energy: -0.000 local terms energy: -25.657529 where: bonds (distance) C4'-P energy: -6.105 bonds (distance) P-C4' energy: -6.097 flat angles C4'-P-C4' energy: -5.579 flat angles P-C4'-P energy: -4.579 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: 5 ===================================== Write number: 310 Temperature: 0.950000 Total energy: -40.816126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.816126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.816126 (E_RNA) where: Base-Base interactions energy: -16.240 where: short stacking energy: -16.240 Base-Backbone interact. energy: -0.001 local terms energy: -24.576006 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -5.066 flat angles P-C4'-P energy: -3.320 tors. eta vs tors. theta energy: -3.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 310 Temperature: 1.000000 Total energy: -32.689232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.689232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.689232 (E_RNA) where: Base-Base interactions energy: -8.544 where: short stacking energy: -8.544 Base-Backbone interact. energy: -0.001 local terms energy: -24.145144 where: bonds (distance) C4'-P energy: -5.651 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -5.418 flat angles P-C4'-P energy: -4.633 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: 4, replica: 8 ===================================== Write number: 310 Temperature: 1.050000 Total energy: -37.528524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.528524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.528524 (E_RNA) where: Base-Base interactions energy: -11.173 where: short stacking energy: -11.173 Base-Backbone interact. energy: -0.008 local terms energy: -26.347369 where: bonds (distance) C4'-P energy: -5.332 bonds (distance) P-C4' energy: -5.889 flat angles C4'-P-C4' energy: -5.056 flat angles P-C4'-P energy: -5.564 tors. eta vs tors. theta energy: -4.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 310 Temperature: 1.100000 Total energy: -32.463524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.463524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.463524 (E_RNA) where: Base-Base interactions energy: -11.143 where: short stacking energy: -11.143 Base-Backbone interact. energy: -0.053 local terms energy: -21.268235 where: bonds (distance) C4'-P energy: -5.323 bonds (distance) P-C4' energy: -5.966 flat angles C4'-P-C4' energy: -5.058 flat angles P-C4'-P energy: -1.921 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: 6, replica: 3 ===================================== Write number: 310 Temperature: 1.150000 Total energy: -29.047926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.047926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.047926 (E_RNA) where: Base-Base interactions energy: -6.834 where: short stacking energy: -6.834 Base-Backbone interact. energy: -0.214 local terms energy: -21.999898 where: bonds (distance) C4'-P energy: -4.905 bonds (distance) P-C4' energy: -6.407 flat angles C4'-P-C4' energy: -5.624 flat angles P-C4'-P energy: -4.781 tors. eta vs tors. theta energy: -0.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 310 Temperature: 1.200000 Total energy: -32.790167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.790167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.790167 (E_RNA) where: Base-Base interactions energy: -13.096 where: short stacking energy: -13.096 Base-Backbone interact. energy: -0.029 local terms energy: -19.664594 where: bonds (distance) C4'-P energy: -5.365 bonds (distance) P-C4' energy: -4.230 flat angles C4'-P-C4' energy: -5.319 flat angles P-C4'-P energy: -4.165 tors. eta vs tors. theta energy: -0.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 310 Temperature: 1.250000 Total energy: -30.560837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.560837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.560837 (E_RNA) where: Base-Base interactions energy: -10.089 where: short stacking energy: -10.089 Base-Backbone interact. energy: -0.012 local terms energy: -20.460371 where: bonds (distance) C4'-P energy: -5.589 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -4.186 flat angles P-C4'-P energy: -2.922 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: 10 ===================================== Write number: 310 Temperature: 1.300000 Total energy: -35.950881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.950881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.950881 (E_RNA) where: Base-Base interactions energy: -13.024 where: short stacking energy: -13.024 Base-Backbone interact. energy: -0.014 local terms energy: -22.913213 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -5.390 flat angles P-C4'-P energy: -2.713 tors. eta vs tors. theta energy: -2.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 310 Temperature: 1.350000 Total energy: -27.228598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.228598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.228598 (E_RNA) where: Base-Base interactions energy: -5.126 where: short stacking energy: -5.126 Base-Backbone interact. energy: -0.002 local terms energy: -22.100105 where: bonds (distance) C4'-P energy: -5.543 bonds (distance) P-C4' energy: -5.938 flat angles C4'-P-C4' energy: -6.520 flat angles P-C4'-P energy: -2.136 tors. eta vs tors. theta energy: -1.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 311 Temperature: 0.900000 Total energy: -42.553779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.553779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.553779 (E_RNA) where: Base-Base interactions energy: -16.583 where: short stacking energy: -16.583 Base-Backbone interact. energy: -0.001 local terms energy: -25.969224 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -5.770 flat angles C4'-P-C4' energy: -4.658 flat angles P-C4'-P energy: -3.009 tors. eta vs tors. theta energy: -6.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 311 Temperature: 0.950000 Total energy: -41.249250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.249250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.249250 (E_RNA) where: Base-Base interactions energy: -15.994 where: short stacking energy: -15.994 Base-Backbone interact. energy: -0.000 local terms energy: -25.254731 where: bonds (distance) C4'-P energy: -4.230 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -6.420 flat angles P-C4'-P energy: -3.716 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: 5 ===================================== Write number: 311 Temperature: 1.000000 Total energy: -42.568959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.568959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.568959 (E_RNA) where: Base-Base interactions energy: -19.115 where: short stacking energy: -19.115 Base-Backbone interact. energy: -0.000 local terms energy: -23.453272 where: bonds (distance) C4'-P energy: -5.501 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -5.210 flat angles P-C4'-P energy: -3.647 tors. eta vs tors. theta energy: -3.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 311 Temperature: 1.050000 Total energy: -38.798090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.798090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.798090 (E_RNA) where: Base-Base interactions energy: -13.309 where: short stacking energy: -13.309 Base-Backbone interact. energy: -0.000 local terms energy: -25.488385 where: bonds (distance) C4'-P energy: -5.953 bonds (distance) P-C4' energy: -7.130 flat angles C4'-P-C4' energy: -3.796 flat angles P-C4'-P energy: -4.379 tors. eta vs tors. theta energy: -4.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 311 Temperature: 1.100000 Total energy: -36.478782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.478782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.478782 (E_RNA) where: Base-Base interactions energy: -12.319 where: short stacking energy: -12.319 Base-Backbone interact. energy: -0.000 local terms energy: -24.159642 where: bonds (distance) C4'-P energy: -5.278 bonds (distance) P-C4' energy: -6.382 flat angles C4'-P-C4' energy: -5.296 flat angles P-C4'-P energy: -4.040 tors. eta vs tors. theta energy: -3.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 311 Temperature: 1.150000 Total energy: -34.031337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.031337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.031337 (E_RNA) where: Base-Base interactions energy: -9.215 where: short stacking energy: -9.215 Base-Backbone interact. energy: -0.071 local terms energy: -24.745760 where: bonds (distance) C4'-P energy: -4.735 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -6.486 flat angles P-C4'-P energy: -3.739 tors. eta vs tors. theta energy: -3.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 311 Temperature: 1.200000 Total energy: -27.192883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.192883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.192883 (E_RNA) where: Base-Base interactions energy: -7.037 where: short stacking energy: -7.037 Base-Backbone interact. energy: -0.013 local terms energy: -20.143047 where: bonds (distance) C4'-P energy: -4.888 bonds (distance) P-C4' energy: -6.432 flat angles C4'-P-C4' energy: -5.552 flat angles P-C4'-P energy: -3.743 tors. eta vs tors. theta energy: 0.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 311 Temperature: 1.250000 Total energy: -30.517801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.517801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.517801 (E_RNA) where: Base-Base interactions energy: -13.522 where: short stacking energy: -13.522 Base-Backbone interact. energy: -0.000 local terms energy: -16.996035 where: bonds (distance) C4'-P energy: -1.245 bonds (distance) P-C4' energy: -6.125 flat angles C4'-P-C4' energy: -5.062 flat angles P-C4'-P energy: -3.658 tors. eta vs tors. theta energy: -0.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 311 Temperature: 1.300000 Total energy: -31.560705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.560705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.560705 (E_RNA) where: Base-Base interactions energy: -12.940 where: short stacking energy: -12.940 Base-Backbone interact. energy: -0.001 local terms energy: -18.619856 where: bonds (distance) C4'-P energy: -4.843 bonds (distance) P-C4' energy: -1.806 flat angles C4'-P-C4' energy: -5.204 flat angles P-C4'-P energy: -3.488 tors. eta vs tors. theta energy: -3.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 311 Temperature: 1.350000 Total energy: -25.176005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.176005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.176005 (E_RNA) where: Base-Base interactions energy: -4.811 where: short stacking energy: -3.174 Base-Backbone interact. energy: -0.594 local terms energy: -19.771133 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -5.941 flat angles C4'-P-C4' energy: -3.021 flat angles P-C4'-P energy: -1.683 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: 2 ===================================== Write number: 312 Temperature: 0.900000 Total energy: -37.740573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.740573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.740573 (E_RNA) where: Base-Base interactions energy: -13.780 where: short stacking energy: -13.780 Base-Backbone interact. energy: -0.000 local terms energy: -23.959857 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -6.391 flat angles P-C4'-P energy: -5.325 tors. eta vs tors. theta energy: 0.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 312 Temperature: 0.950000 Total energy: -38.799653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.799653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.799653 (E_RNA) where: Base-Base interactions energy: -11.981 where: short stacking energy: -11.981 Base-Backbone interact. energy: -0.000 local terms energy: -26.818579 where: bonds (distance) C4'-P energy: -6.453 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -4.862 flat angles P-C4'-P energy: -5.260 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: 7 ===================================== Write number: 312 Temperature: 1.000000 Total energy: -37.246118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.246118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.246118 (E_RNA) where: Base-Base interactions energy: -8.723 where: short stacking energy: -8.723 Base-Backbone interact. energy: -0.005 local terms energy: -28.518338 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -6.479 flat angles P-C4'-P energy: -5.215 tors. eta vs tors. theta energy: -4.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 312 Temperature: 1.050000 Total energy: -36.721566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.721566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.721566 (E_RNA) where: Base-Base interactions energy: -15.737 where: short stacking energy: -15.734 Base-Backbone interact. energy: -0.066 local terms energy: -20.918651 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.432 flat angles C4'-P-C4' energy: -2.089 flat angles P-C4'-P energy: -4.169 tors. eta vs tors. theta energy: -2.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 312 Temperature: 1.100000 Total energy: -39.375087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.375087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.375087 (E_RNA) where: Base-Base interactions energy: -16.668 where: short stacking energy: -16.668 Base-Backbone interact. energy: -0.023 local terms energy: -22.683314 where: bonds (distance) C4'-P energy: -5.055 bonds (distance) P-C4' energy: -6.382 flat angles C4'-P-C4' energy: -4.155 flat angles P-C4'-P energy: -4.330 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: 6, replica: 8 ===================================== Write number: 312 Temperature: 1.150000 Total energy: -34.348527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.348527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.348527 (E_RNA) where: Base-Base interactions energy: -12.197 where: short stacking energy: -12.197 Base-Backbone interact. energy: -0.025 local terms energy: -22.126270 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -4.586 flat angles P-C4'-P energy: -2.696 tors. eta vs tors. theta energy: -2.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 312 Temperature: 1.200000 Total energy: -38.779874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.779874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.779874 (E_RNA) where: Base-Base interactions energy: -15.165 where: short stacking energy: -15.165 Base-Backbone interact. energy: -0.000 local terms energy: -23.614289 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -5.339 flat angles C4'-P-C4' energy: -4.990 flat angles P-C4'-P energy: -3.245 tors. eta vs tors. theta energy: -4.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 312 Temperature: 1.250000 Total energy: -38.539094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.539094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.539094 (E_RNA) where: Base-Base interactions energy: -11.800 where: short stacking energy: -11.800 Base-Backbone interact. energy: -0.000 local terms energy: -26.738773 where: bonds (distance) C4'-P energy: -6.168 bonds (distance) P-C4' energy: -5.594 flat angles C4'-P-C4' energy: -4.726 flat angles P-C4'-P energy: -4.985 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: 9, replica: 1 ===================================== Write number: 312 Temperature: 1.300000 Total energy: -28.873647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.873647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.873647 (E_RNA) where: Base-Base interactions energy: -9.396 where: short stacking energy: -9.396 Base-Backbone interact. energy: -0.052 local terms energy: -19.424941 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -1.247 flat angles P-C4'-P energy: -4.743 tors. eta vs tors. theta energy: -0.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 312 Temperature: 1.350000 Total energy: -30.584258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.584258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.584258 (E_RNA) where: Base-Base interactions energy: -11.537 where: short stacking energy: -11.537 Base-Backbone interact. energy: -0.010 local terms energy: -19.037141 where: bonds (distance) C4'-P energy: -2.544 bonds (distance) P-C4' energy: -5.833 flat angles C4'-P-C4' energy: -5.699 flat angles P-C4'-P energy: -4.127 tors. eta vs tors. theta energy: -0.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 313 Temperature: 0.900000 Total energy: -37.023632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.023632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.023632 (E_RNA) where: Base-Base interactions energy: -14.404 where: short stacking energy: -14.404 Base-Backbone interact. energy: -0.042 local terms energy: -22.577626 where: bonds (distance) C4'-P energy: -4.090 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.995 flat angles P-C4'-P energy: -3.971 tors. eta vs tors. theta energy: -2.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 313 Temperature: 0.950000 Total energy: -36.065836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.065836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.065836 (E_RNA) where: Base-Base interactions energy: -13.188 where: short stacking energy: -13.188 Base-Backbone interact. energy: -0.067 local terms energy: -22.810477 where: bonds (distance) C4'-P energy: -4.832 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.437 flat angles P-C4'-P energy: -1.452 tors. eta vs tors. theta energy: -4.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 313 Temperature: 1.000000 Total energy: -38.032629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.032629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.032629 (E_RNA) where: Base-Base interactions energy: -13.026 where: short stacking energy: -13.026 Base-Backbone interact. energy: -0.000 local terms energy: -25.006855 where: bonds (distance) C4'-P energy: -5.021 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -3.507 flat angles P-C4'-P energy: -4.658 tors. eta vs tors. theta energy: -5.604 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: 9 ===================================== Write number: 313 Temperature: 1.050000 Total energy: -34.887232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.887232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.887232 (E_RNA) where: Base-Base interactions energy: -7.523 where: short stacking energy: -7.523 Base-Backbone interact. energy: -0.144 local terms energy: -27.221017 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -6.217 flat angles P-C4'-P energy: -5.326 tors. eta vs tors. theta energy: -2.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 313 Temperature: 1.100000 Total energy: -38.048227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.048227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.048227 (E_RNA) where: Base-Base interactions energy: -13.373 where: short stacking energy: -13.373 Base-Backbone interact. energy: -0.054 local terms energy: -24.621345 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -3.680 flat angles P-C4'-P energy: -5.011 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: 6, replica: 10 ===================================== Write number: 313 Temperature: 1.150000 Total energy: -36.397301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.397301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.397301 (E_RNA) where: Base-Base interactions energy: -16.506 where: short stacking energy: -16.506 Base-Backbone interact. energy: -0.007 local terms energy: -19.883723 where: bonds (distance) C4'-P energy: -3.315 bonds (distance) P-C4' energy: -6.432 flat angles C4'-P-C4' energy: -4.067 flat angles P-C4'-P energy: -5.064 tors. eta vs tors. theta energy: -1.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 313 Temperature: 1.200000 Total energy: -34.158055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.158055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.158055 (E_RNA) where: Base-Base interactions energy: -9.922 where: short stacking energy: -9.922 Base-Backbone interact. energy: -0.000 local terms energy: -24.236244 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -6.203 flat angles P-C4'-P energy: -3.337 tors. eta vs tors. theta energy: -2.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 313 Temperature: 1.250000 Total energy: -28.536047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.536047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.536047 (E_RNA) where: Base-Base interactions energy: -10.320 where: short stacking energy: -10.320 Base-Backbone interact. energy: 1.024 local terms energy: -19.240546 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -4.238 flat angles P-C4'-P energy: -4.985 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: 9, replica: 3 ===================================== Write number: 313 Temperature: 1.300000 Total energy: -33.802547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.802547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.802547 (E_RNA) where: Base-Base interactions energy: -12.582 where: short stacking energy: -12.763 Base-Backbone interact. energy: -0.002 local terms energy: -21.218964 where: bonds (distance) C4'-P energy: -3.600 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -4.224 flat angles P-C4'-P energy: -2.893 tors. eta vs tors. theta energy: -4.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 313 Temperature: 1.350000 Total energy: -29.108648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.108648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.108648 (E_RNA) where: Base-Base interactions energy: -8.459 where: short stacking energy: -8.459 Base-Backbone interact. energy: -0.098 local terms energy: -20.551297 where: bonds (distance) C4'-P energy: -5.286 bonds (distance) P-C4' energy: -5.576 flat angles C4'-P-C4' energy: -5.761 flat angles P-C4'-P energy: -3.860 tors. eta vs tors. theta energy: -0.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 314 Temperature: 0.900000 Total energy: -41.640536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.640536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.640536 (E_RNA) where: Base-Base interactions energy: -14.451 where: short stacking energy: -14.451 Base-Backbone interact. energy: -0.000 local terms energy: -27.189844 where: bonds (distance) C4'-P energy: -5.456 bonds (distance) P-C4' energy: -5.942 flat angles C4'-P-C4' energy: -5.829 flat angles P-C4'-P energy: -4.835 tors. eta vs tors. theta energy: -5.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 314 Temperature: 0.950000 Total energy: -42.403035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.403035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.403035 (E_RNA) where: Base-Base interactions energy: -17.453 where: short stacking energy: -17.453 Base-Backbone interact. energy: -0.000 local terms energy: -24.949930 where: bonds (distance) C4'-P energy: -5.518 bonds (distance) P-C4' energy: -6.156 flat angles C4'-P-C4' energy: -5.689 flat angles P-C4'-P energy: -1.934 tors. eta vs tors. theta energy: -5.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 314 Temperature: 1.000000 Total energy: -39.563571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.563571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.563571 (E_RNA) where: Base-Base interactions energy: -12.516 where: short stacking energy: -12.516 Base-Backbone interact. energy: -0.000 local terms energy: -27.047854 where: bonds (distance) C4'-P energy: -5.340 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -5.798 flat angles P-C4'-P energy: -4.960 tors. eta vs tors. theta energy: -4.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 314 Temperature: 1.050000 Total energy: -42.091152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.091152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.091152 (E_RNA) where: Base-Base interactions energy: -16.432 where: short stacking energy: -16.432 Base-Backbone interact. energy: -0.000 local terms energy: -25.659529 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -3.606 flat angles C4'-P-C4' energy: -6.316 flat angles P-C4'-P energy: -3.196 tors. eta vs tors. theta energy: -6.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 314 Temperature: 1.100000 Total energy: -31.272054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.272054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.272054 (E_RNA) where: Base-Base interactions energy: -9.887 where: short stacking energy: -9.887 Base-Backbone interact. energy: -0.002 local terms energy: -21.382458 where: bonds (distance) C4'-P energy: -4.975 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -4.751 flat angles P-C4'-P energy: -3.872 tors. eta vs tors. theta energy: -1.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 314 Temperature: 1.150000 Total energy: -32.581495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.581495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.581495 (E_RNA) where: Base-Base interactions energy: -12.196 where: short stacking energy: -12.196 Base-Backbone interact. energy: -0.016 local terms energy: -20.369643 where: bonds (distance) C4'-P energy: -5.001 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -3.473 flat angles P-C4'-P energy: -4.275 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: 7, replica: 1 ===================================== Write number: 314 Temperature: 1.200000 Total energy: -30.525478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.525478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.525478 (E_RNA) where: Base-Base interactions energy: -5.926 where: short stacking energy: -5.926 Base-Backbone interact. energy: -0.000 local terms energy: -24.599793 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -4.949 flat angles P-C4'-P energy: -2.736 tors. eta vs tors. theta energy: -4.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 314 Temperature: 1.250000 Total energy: -35.813633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.813633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.813633 (E_RNA) where: Base-Base interactions energy: -13.171 where: short stacking energy: -13.171 Base-Backbone interact. energy: -0.000 local terms energy: -22.642039 where: bonds (distance) C4'-P energy: -1.511 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -3.794 flat angles P-C4'-P energy: -4.442 tors. eta vs tors. theta energy: -6.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 314 Temperature: 1.300000 Total energy: -33.223994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.223994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.223994 (E_RNA) where: Base-Base interactions energy: -8.879 where: short stacking energy: -8.879 Base-Backbone interact. energy: -0.000 local terms energy: -24.344822 where: bonds (distance) C4'-P energy: -4.619 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -4.951 flat angles P-C4'-P energy: -4.965 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: 10, replica: 6 ===================================== Write number: 314 Temperature: 1.350000 Total energy: -30.392901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.392901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.392901 (E_RNA) where: Base-Base interactions energy: -8.987 where: short stacking energy: -8.987 Base-Backbone interact. energy: -0.049 local terms energy: -21.356845 where: bonds (distance) C4'-P energy: -5.501 bonds (distance) P-C4' energy: -6.189 flat angles C4'-P-C4' energy: -1.490 flat angles P-C4'-P energy: -4.820 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: 7 ===================================== Write number: 315 Temperature: 0.900000 Total energy: -40.498332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.498332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.498332 (E_RNA) where: Base-Base interactions energy: -12.935 where: short stacking energy: -12.935 Base-Backbone interact. energy: -0.000 local terms energy: -27.563270 where: bonds (distance) C4'-P energy: -6.569 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -4.827 flat angles P-C4'-P energy: -4.919 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: 9 ===================================== Write number: 315 Temperature: 0.950000 Total energy: -39.443498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.443498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.443498 (E_RNA) where: Base-Base interactions energy: -17.489 where: short stacking energy: -17.489 Base-Backbone interact. energy: -0.000 local terms energy: -21.954944 where: bonds (distance) C4'-P energy: -5.650 bonds (distance) P-C4' energy: -6.457 flat angles C4'-P-C4' energy: -4.584 flat angles P-C4'-P energy: -1.545 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: 3, replica: 2 ===================================== Write number: 315 Temperature: 1.000000 Total energy: -34.723985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.723985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.723985 (E_RNA) where: Base-Base interactions energy: -13.079 where: short stacking energy: -12.967 Base-Backbone interact. energy: -0.000 local terms energy: -21.644558 where: bonds (distance) C4'-P energy: -5.990 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -5.865 flat angles P-C4'-P energy: -2.051 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: 4, replica: 10 ===================================== Write number: 315 Temperature: 1.050000 Total energy: -36.975351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.975351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.975351 (E_RNA) where: Base-Base interactions energy: -11.242 where: short stacking energy: -11.242 Base-Backbone interact. energy: -0.000 local terms energy: -25.733381 where: bonds (distance) C4'-P energy: -5.075 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -6.534 flat angles P-C4'-P energy: -3.309 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: 5, replica: 4 ===================================== Write number: 315 Temperature: 1.100000 Total energy: -34.102605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.102605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.102605 (E_RNA) where: Base-Base interactions energy: -13.373 where: short stacking energy: -13.373 Base-Backbone interact. energy: -0.001 local terms energy: -20.728327 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -6.124 flat angles C4'-P-C4' energy: -4.796 flat angles P-C4'-P energy: -3.262 tors. eta vs tors. theta energy: -0.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 315 Temperature: 1.150000 Total energy: -31.507332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.507332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.507332 (E_RNA) where: Base-Base interactions energy: -7.301 where: short stacking energy: -7.251 Base-Backbone interact. energy: -0.000 local terms energy: -24.205682 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -6.407 flat angles C4'-P-C4' energy: -4.721 flat angles P-C4'-P energy: -4.889 tors. eta vs tors. theta energy: -1.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 315 Temperature: 1.200000 Total energy: -37.439952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.439952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.439952 (E_RNA) where: Base-Base interactions energy: -17.398 where: short stacking energy: -14.643 Base-Backbone interact. energy: -0.368 local terms energy: -19.673733 where: bonds (distance) C4'-P energy: -3.200 bonds (distance) P-C4' energy: -3.215 flat angles C4'-P-C4' energy: -6.301 flat angles P-C4'-P energy: -5.479 tors. eta vs tors. theta energy: -1.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 315 Temperature: 1.250000 Total energy: -34.359268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.359268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.359268 (E_RNA) where: Base-Base interactions energy: -13.024 where: short stacking energy: -13.024 Base-Backbone interact. energy: -0.007 local terms energy: -21.327713 where: bonds (distance) C4'-P energy: -4.487 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -5.915 flat angles P-C4'-P energy: -4.032 tors. eta vs tors. theta energy: -0.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 315 Temperature: 1.300000 Total energy: -34.035901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.035901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.035901 (E_RNA) where: Base-Base interactions energy: -11.405 where: short stacking energy: -11.405 Base-Backbone interact. energy: -0.008 local terms energy: -22.622030 where: bonds (distance) C4'-P energy: -4.988 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -4.195 flat angles P-C4'-P energy: -4.438 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: 10, replica: 6 ===================================== Write number: 315 Temperature: 1.350000 Total energy: -28.571955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.571955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.571955 (E_RNA) where: Base-Base interactions energy: -7.882 where: short stacking energy: -7.882 Base-Backbone interact. energy: -0.066 local terms energy: -20.624015 where: bonds (distance) C4'-P energy: -3.953 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -4.422 flat angles P-C4'-P energy: -3.897 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: 1, replica: 9 ===================================== Write number: 316 Temperature: 0.900000 Total energy: -36.279004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.279004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.279004 (E_RNA) where: Base-Base interactions energy: -9.927 where: short stacking energy: -9.927 Base-Backbone interact. energy: -0.000 local terms energy: -26.351517 where: bonds (distance) C4'-P energy: -6.044 bonds (distance) P-C4' energy: -6.177 flat angles C4'-P-C4' energy: -6.166 flat angles P-C4'-P energy: -4.093 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: 2, replica: 7 ===================================== Write number: 316 Temperature: 0.950000 Total energy: -37.833834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.833834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.833834 (E_RNA) where: Base-Base interactions energy: -13.501 where: short stacking energy: -13.501 Base-Backbone interact. energy: -0.068 local terms energy: -24.264686 where: bonds (distance) C4'-P energy: -5.501 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -5.814 flat angles P-C4'-P energy: -2.760 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: 316 Temperature: 1.000000 Total energy: -39.101939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.101939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.101939 (E_RNA) where: Base-Base interactions energy: -14.953 where: short stacking energy: -14.953 Base-Backbone interact. energy: -0.002 local terms energy: -24.146513 where: bonds (distance) C4'-P energy: -4.459 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -6.061 flat angles P-C4'-P energy: -4.024 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: 2 ===================================== Write number: 316 Temperature: 1.050000 Total energy: -38.657589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.657589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.657589 (E_RNA) where: Base-Base interactions energy: -15.940 where: short stacking energy: -15.940 Base-Backbone interact. energy: -0.000 local terms energy: -22.717161 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -3.045 flat angles P-C4'-P energy: -3.278 tors. eta vs tors. theta energy: -3.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 316 Temperature: 1.100000 Total energy: -36.159737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.159737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.159737 (E_RNA) where: Base-Base interactions energy: -16.424 where: short stacking energy: -16.424 Base-Backbone interact. energy: -0.000 local terms energy: -19.735837 where: bonds (distance) C4'-P energy: -4.106 bonds (distance) P-C4' energy: -5.600 flat angles C4'-P-C4' energy: -5.203 flat angles P-C4'-P energy: -2.779 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: 6, replica: 4 ===================================== Write number: 316 Temperature: 1.150000 Total energy: -33.458628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.458628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.458628 (E_RNA) where: Base-Base interactions energy: -12.706 where: short stacking energy: -12.706 Base-Backbone interact. energy: -0.114 local terms energy: -20.638305 where: bonds (distance) C4'-P energy: -4.905 bonds (distance) P-C4' energy: -6.361 flat angles C4'-P-C4' energy: -5.706 flat angles P-C4'-P energy: -4.255 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: 7, replica: 5 ===================================== Write number: 316 Temperature: 1.200000 Total energy: -31.598295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.598295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.598295 (E_RNA) where: Base-Base interactions energy: -9.403 where: short stacking energy: -9.403 Base-Backbone interact. energy: -0.013 local terms energy: -22.182312 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.616 flat angles P-C4'-P energy: -4.681 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: 8, replica: 3 ===================================== Write number: 316 Temperature: 1.250000 Total energy: -28.806787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.806787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.806787 (E_RNA) where: Base-Base interactions energy: -9.129 where: short stacking energy: -8.658 Base-Backbone interact. energy: -0.688 local terms energy: -18.990066 where: bonds (distance) C4'-P energy: -3.166 bonds (distance) P-C4' energy: -4.991 flat angles C4'-P-C4' energy: -5.961 flat angles P-C4'-P energy: -4.294 tors. eta vs tors. theta energy: -0.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 316 Temperature: 1.300000 Total energy: -28.858222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.858222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.858222 (E_RNA) where: Base-Base interactions energy: -9.201 where: short stacking energy: -9.201 Base-Backbone interact. energy: -0.021 local terms energy: -19.636520 where: bonds (distance) C4'-P energy: -4.346 bonds (distance) P-C4' energy: -5.861 flat angles C4'-P-C4' energy: -5.024 flat angles P-C4'-P energy: -4.308 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: 10, replica: 8 ===================================== Write number: 316 Temperature: 1.350000 Total energy: -30.832263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.832263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.832263 (E_RNA) where: Base-Base interactions energy: -8.725 where: short stacking energy: -8.825 Base-Backbone interact. energy: -0.043 local terms energy: -22.064190 where: bonds (distance) C4'-P energy: -5.572 bonds (distance) P-C4' energy: -7.144 flat angles C4'-P-C4' energy: -4.845 flat angles P-C4'-P energy: -3.168 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: 1, replica: 9 ===================================== Write number: 317 Temperature: 0.900000 Total energy: -39.734785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.734785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.734785 (E_RNA) where: Base-Base interactions energy: -16.236 where: short stacking energy: -16.236 Base-Backbone interact. energy: -0.001 local terms energy: -23.498211 where: bonds (distance) C4'-P energy: -5.306 bonds (distance) P-C4' energy: -5.156 flat angles C4'-P-C4' energy: -6.082 flat angles P-C4'-P energy: -3.848 tors. eta vs tors. theta energy: -3.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 317 Temperature: 0.950000 Total energy: -38.381883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.381883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.381883 (E_RNA) where: Base-Base interactions energy: -14.789 where: short stacking energy: -14.789 Base-Backbone interact. energy: -0.002 local terms energy: -23.590878 where: bonds (distance) C4'-P energy: -4.068 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -6.201 flat angles P-C4'-P energy: -2.451 tors. eta vs tors. theta energy: -3.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 317 Temperature: 1.000000 Total energy: -34.720524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.720524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.720524 (E_RNA) where: Base-Base interactions energy: -13.012 where: short stacking energy: -13.012 Base-Backbone interact. energy: -0.020 local terms energy: -21.689443 where: bonds (distance) C4'-P energy: -5.882 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.588 flat angles P-C4'-P energy: -3.408 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: 4, replica: 1 ===================================== Write number: 317 Temperature: 1.050000 Total energy: -38.367371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.367371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.367371 (E_RNA) where: Base-Base interactions energy: -12.510 where: short stacking energy: -12.510 Base-Backbone interact. energy: -0.004 local terms energy: -25.853416 where: bonds (distance) C4'-P energy: -5.659 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -5.017 flat angles P-C4'-P energy: -3.416 tors. eta vs tors. theta energy: -4.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 317 Temperature: 1.100000 Total energy: -34.574887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.574887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.574887 (E_RNA) where: Base-Base interactions energy: -13.034 where: short stacking energy: -13.034 Base-Backbone interact. energy: -0.099 local terms energy: -21.441635 where: bonds (distance) C4'-P energy: -4.318 bonds (distance) P-C4' energy: -4.917 flat angles C4'-P-C4' energy: -5.779 flat angles P-C4'-P energy: -3.235 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: 6, replica: 5 ===================================== Write number: 317 Temperature: 1.150000 Total energy: -31.849151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.849151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.849151 (E_RNA) where: Base-Base interactions energy: -12.727 where: short stacking energy: -12.727 Base-Backbone interact. energy: 0.353 local terms energy: -19.475137 where: bonds (distance) C4'-P energy: -5.484 bonds (distance) P-C4' energy: -5.494 flat angles C4'-P-C4' energy: -4.818 flat angles P-C4'-P energy: -3.009 tors. eta vs tors. theta energy: -0.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 317 Temperature: 1.200000 Total energy: -33.299359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.299359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.299359 (E_RNA) where: Base-Base interactions energy: -12.401 where: short stacking energy: -12.401 Base-Backbone interact. energy: -1.172 local terms energy: -19.725878 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -4.466 flat angles C4'-P-C4' energy: -5.775 flat angles P-C4'-P energy: -1.955 tors. eta vs tors. theta energy: -2.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 317 Temperature: 1.250000 Total energy: -36.453262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.453262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.453262 (E_RNA) where: Base-Base interactions energy: -13.473 where: short stacking energy: -13.473 Base-Backbone interact. energy: -0.000 local terms energy: -22.980397 where: bonds (distance) C4'-P energy: -2.562 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -5.920 flat angles P-C4'-P energy: -3.948 tors. eta vs tors. theta energy: -4.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 317 Temperature: 1.300000 Total energy: -35.496507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.496507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.496507 (E_RNA) where: Base-Base interactions energy: -14.351 where: short stacking energy: -14.351 Base-Backbone interact. energy: -0.000 local terms energy: -21.145437 where: bonds (distance) C4'-P energy: -5.099 bonds (distance) P-C4' energy: -7.130 flat angles C4'-P-C4' energy: -4.895 flat angles P-C4'-P energy: -2.307 tors. eta vs tors. theta energy: -1.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 317 Temperature: 1.350000 Total energy: -28.437124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.437124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.437124 (E_RNA) where: Base-Base interactions energy: -8.722 where: short stacking energy: -8.722 Base-Backbone interact. energy: -0.000 local terms energy: -19.714667 where: bonds (distance) C4'-P energy: -4.036 bonds (distance) P-C4' energy: -6.189 flat angles C4'-P-C4' energy: -4.674 flat angles P-C4'-P energy: -0.971 tors. eta vs tors. theta energy: -3.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 318 Temperature: 0.900000 Total energy: -40.013526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.013526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.013526 (E_RNA) where: Base-Base interactions energy: -18.613 where: short stacking energy: -18.613 Base-Backbone interact. energy: -0.006 local terms energy: -21.394645 where: bonds (distance) C4'-P energy: -4.337 bonds (distance) P-C4' energy: -5.916 flat angles C4'-P-C4' energy: -5.624 flat angles P-C4'-P energy: -4.491 tors. eta vs tors. theta energy: -1.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 318 Temperature: 0.950000 Total energy: -37.596389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.596389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.596389 (E_RNA) where: Base-Base interactions energy: -13.235 where: short stacking energy: -13.235 Base-Backbone interact. energy: -0.000 local terms energy: -24.361133 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -6.324 flat angles P-C4'-P energy: -1.754 tors. eta vs tors. theta energy: -4.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 318 Temperature: 1.000000 Total energy: -32.990743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.990743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.990743 (E_RNA) where: Base-Base interactions energy: -11.529 where: short stacking energy: -11.529 Base-Backbone interact. energy: -0.000 local terms energy: -21.462137 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -3.543 flat angles P-C4'-P energy: -4.993 tors. eta vs tors. theta energy: -0.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 318 Temperature: 1.050000 Total energy: -33.794777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.794777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.794777 (E_RNA) where: Base-Base interactions energy: -10.583 where: short stacking energy: -10.583 Base-Backbone interact. energy: -0.100 local terms energy: -23.111491 where: bonds (distance) C4'-P energy: -6.246 bonds (distance) P-C4' energy: -5.668 flat angles C4'-P-C4' energy: -4.271 flat angles P-C4'-P energy: -5.067 tors. eta vs tors. theta energy: -1.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 318 Temperature: 1.100000 Total energy: -36.565819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.565819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.565819 (E_RNA) where: Base-Base interactions energy: -13.362 where: short stacking energy: -13.362 Base-Backbone interact. energy: -0.000 local terms energy: -23.203461 where: bonds (distance) C4'-P energy: -3.920 bonds (distance) P-C4' energy: -5.339 flat angles C4'-P-C4' energy: -5.408 flat angles P-C4'-P energy: -4.204 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: 6, replica: 2 ===================================== Write number: 318 Temperature: 1.150000 Total energy: -28.152071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.152071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.152071 (E_RNA) where: Base-Base interactions energy: -6.820 where: short stacking energy: -6.820 Base-Backbone interact. energy: -0.054 local terms energy: -21.278207 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -6.101 flat angles P-C4'-P energy: -3.957 tors. eta vs tors. theta energy: 1.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 318 Temperature: 1.200000 Total energy: -31.803243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.803243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.803243 (E_RNA) where: Base-Base interactions energy: -6.503 where: short stacking energy: -6.503 Base-Backbone interact. energy: -0.001 local terms energy: -25.299553 where: bonds (distance) C4'-P energy: -5.269 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -5.766 flat angles P-C4'-P energy: -5.221 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: 8, replica: 4 ===================================== Write number: 318 Temperature: 1.250000 Total energy: -28.703892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.703892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.703892 (E_RNA) where: Base-Base interactions energy: -9.386 where: short stacking energy: -9.386 Base-Backbone interact. energy: -0.002 local terms energy: -19.315444 where: bonds (distance) C4'-P energy: -4.595 bonds (distance) P-C4' energy: -5.336 flat angles C4'-P-C4' energy: -6.469 flat angles P-C4'-P energy: -3.820 tors. eta vs tors. theta energy: 0.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 318 Temperature: 1.300000 Total energy: -32.643884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.643884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.643884 (E_RNA) where: Base-Base interactions energy: -12.721 where: short stacking energy: -12.721 Base-Backbone interact. energy: -0.012 local terms energy: -19.910982 where: bonds (distance) C4'-P energy: -5.721 bonds (distance) P-C4' energy: -5.723 flat angles C4'-P-C4' energy: -3.556 flat angles P-C4'-P energy: -5.107 tors. eta vs tors. theta energy: 0.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 318 Temperature: 1.350000 Total energy: -25.689638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.689638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.689638 (E_RNA) where: Base-Base interactions energy: -7.944 where: short stacking energy: -7.944 Base-Backbone interact. energy: -0.158 local terms energy: -17.587568 where: bonds (distance) C4'-P energy: -3.912 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -3.455 flat angles P-C4'-P energy: -1.286 tors. eta vs tors. theta energy: -2.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 319 Temperature: 0.900000 Total energy: -38.113904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.113904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.113904 (E_RNA) where: Base-Base interactions energy: -14.755 where: short stacking energy: -14.755 Base-Backbone interact. energy: -0.027 local terms energy: -23.330982 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -5.339 flat angles C4'-P-C4' energy: -4.637 flat angles P-C4'-P energy: -4.153 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: 2, replica: 1 ===================================== Write number: 319 Temperature: 0.950000 Total energy: -34.032673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.032673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.032673 (E_RNA) where: Base-Base interactions energy: -10.172 where: short stacking energy: -10.172 Base-Backbone interact. energy: 0.568 local terms energy: -24.428770 where: bonds (distance) C4'-P energy: -5.650 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -6.523 flat angles P-C4'-P energy: -3.467 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: 9 ===================================== Write number: 319 Temperature: 1.000000 Total energy: -34.627981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.627981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.627981 (E_RNA) where: Base-Base interactions energy: -9.875 where: short stacking energy: -9.875 Base-Backbone interact. energy: -0.106 local terms energy: -24.646811 where: bonds (distance) C4'-P energy: -5.063 bonds (distance) P-C4' energy: -6.447 flat angles C4'-P-C4' energy: -6.401 flat angles P-C4'-P energy: -3.435 tors. eta vs tors. theta energy: -3.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 319 Temperature: 1.050000 Total energy: -36.707292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.707292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.707292 (E_RNA) where: Base-Base interactions energy: -14.054 where: short stacking energy: -14.054 Base-Backbone interact. energy: -0.108 local terms energy: -22.545498 where: bonds (distance) C4'-P energy: -4.169 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -5.361 flat angles P-C4'-P energy: -4.426 tors. eta vs tors. theta energy: -2.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 319 Temperature: 1.100000 Total energy: -37.219412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.219412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.219412 (E_RNA) where: Base-Base interactions energy: -15.871 where: short stacking energy: -15.871 Base-Backbone interact. energy: -0.002 local terms energy: -21.346237 where: bonds (distance) C4'-P energy: -4.719 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -4.965 flat angles P-C4'-P energy: -2.281 tors. eta vs tors. theta energy: -3.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 319 Temperature: 1.150000 Total energy: -30.728658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.728658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.728658 (E_RNA) where: Base-Base interactions energy: -6.545 where: short stacking energy: -5.641 Base-Backbone interact. energy: -0.088 local terms energy: -24.095556 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -5.690 flat angles P-C4'-P energy: -4.177 tors. eta vs tors. theta energy: -1.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 319 Temperature: 1.200000 Total energy: -32.427683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.427683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.427683 (E_RNA) where: Base-Base interactions energy: -9.878 where: short stacking energy: -9.878 Base-Backbone interact. energy: -0.000 local terms energy: -22.549908 where: bonds (distance) C4'-P energy: -4.275 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -4.917 flat angles P-C4'-P energy: -4.709 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: 8, replica: 8 ===================================== Write number: 319 Temperature: 1.250000 Total energy: -31.641704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.641704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.641704 (E_RNA) where: Base-Base interactions energy: -8.302 where: short stacking energy: -8.302 Base-Backbone interact. energy: -0.015 local terms energy: -23.324610 where: bonds (distance) C4'-P energy: -5.882 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -5.305 flat angles P-C4'-P energy: -3.791 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: 4 ===================================== Write number: 319 Temperature: 1.300000 Total energy: -32.092712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.092712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.092712 (E_RNA) where: Base-Base interactions energy: -12.302 where: short stacking energy: -12.302 Base-Backbone interact. energy: -0.001 local terms energy: -19.789344 where: bonds (distance) C4'-P energy: -3.369 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.703 flat angles P-C4'-P energy: -3.527 tors. eta vs tors. theta energy: -2.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 319 Temperature: 1.350000 Total energy: -33.224682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.224682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.224682 (E_RNA) where: Base-Base interactions energy: -12.226 where: short stacking energy: -12.226 Base-Backbone interact. energy: 0.209 local terms energy: -21.207771 where: bonds (distance) C4'-P energy: -6.044 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -3.035 flat angles P-C4'-P energy: -3.775 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: 1, replica: 1 ===================================== Write number: 320 Temperature: 0.900000 Total energy: -41.675044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.675044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.675044 (E_RNA) where: Base-Base interactions energy: -18.277 where: short stacking energy: -18.277 Base-Backbone interact. energy: -0.042 local terms energy: -23.355998 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -4.081 flat angles P-C4'-P energy: -2.908 tors. eta vs tors. theta energy: -4.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 320 Temperature: 0.950000 Total energy: -38.299045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.299045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.299045 (E_RNA) where: Base-Base interactions energy: -14.082 where: short stacking energy: -14.082 Base-Backbone interact. energy: -0.000 local terms energy: -24.216842 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -6.155 flat angles P-C4'-P energy: -4.503 tors. eta vs tors. theta energy: -0.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 320 Temperature: 1.000000 Total energy: -38.316667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.316667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.316667 (E_RNA) where: Base-Base interactions energy: -14.038 where: short stacking energy: -14.038 Base-Backbone interact. energy: -0.000 local terms energy: -24.278486 where: bonds (distance) C4'-P energy: -4.578 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -2.931 flat angles P-C4'-P energy: -4.397 tors. eta vs tors. theta energy: -5.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 320 Temperature: 1.050000 Total energy: -37.170796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.170796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.170796 (E_RNA) where: Base-Base interactions energy: -10.181 where: short stacking energy: -10.189 Base-Backbone interact. energy: -0.012 local terms energy: -26.977843 where: bonds (distance) C4'-P energy: -5.225 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.716 flat angles P-C4'-P energy: -4.244 tors. eta vs tors. theta energy: -5.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 320 Temperature: 1.100000 Total energy: -35.571391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.571391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.571391 (E_RNA) where: Base-Base interactions energy: -13.182 where: short stacking energy: -13.182 Base-Backbone interact. energy: -0.000 local terms energy: -22.389231 where: bonds (distance) C4'-P energy: -5.055 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -4.118 flat angles P-C4'-P energy: -3.163 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: 6, replica: 7 ===================================== Write number: 320 Temperature: 1.150000 Total energy: -30.556286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.556286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.556286 (E_RNA) where: Base-Base interactions energy: -9.931 where: short stacking energy: -9.931 Base-Backbone interact. energy: -0.452 local terms energy: -20.173217 where: bonds (distance) C4'-P energy: -5.750 bonds (distance) P-C4' energy: -5.196 flat angles C4'-P-C4' energy: -6.174 flat angles P-C4'-P energy: -3.778 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: 7, replica: 8 ===================================== Write number: 320 Temperature: 1.200000 Total energy: -32.537636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.537636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.537636 (E_RNA) where: Base-Base interactions energy: -9.041 where: short stacking energy: -9.224 Base-Backbone interact. energy: -0.042 local terms energy: -23.455232 where: bonds (distance) C4'-P energy: -5.766 bonds (distance) P-C4' energy: -5.597 flat angles C4'-P-C4' energy: -6.011 flat angles P-C4'-P energy: -3.775 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: 6 ===================================== Write number: 320 Temperature: 1.250000 Total energy: -32.278053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.278053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.278053 (E_RNA) where: Base-Base interactions energy: -10.196 where: short stacking energy: -10.196 Base-Backbone interact. energy: -0.029 local terms energy: -22.053267 where: bonds (distance) C4'-P energy: -5.269 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -3.060 flat angles P-C4'-P energy: -5.230 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: 9, replica: 3 ===================================== Write number: 320 Temperature: 1.300000 Total energy: -28.425168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.425168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.425168 (E_RNA) where: Base-Base interactions energy: -3.969 where: short stacking energy: -3.969 Base-Backbone interact. energy: -0.000 local terms energy: -24.456253 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -5.674 flat angles C4'-P-C4' energy: -6.312 flat angles P-C4'-P energy: -3.967 tors. eta vs tors. theta energy: -2.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 320 Temperature: 1.350000 Total energy: -32.143162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.143162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.143162 (E_RNA) where: Base-Base interactions energy: -8.845 where: short stacking energy: -8.845 Base-Backbone interact. energy: -0.007 local terms energy: -23.290416 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -5.833 flat angles C4'-P-C4' energy: -5.924 flat angles P-C4'-P energy: -4.504 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: 1, replica: 1 ===================================== Write number: 321 Temperature: 0.900000 Total energy: -40.279859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.279859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.279859 (E_RNA) where: Base-Base interactions energy: -15.875 where: short stacking energy: -15.875 Base-Backbone interact. energy: -0.016 local terms energy: -24.388400 where: bonds (distance) C4'-P energy: -5.216 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -6.295 flat angles P-C4'-P energy: -4.048 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: 2, replica: 10 ===================================== Write number: 321 Temperature: 0.950000 Total energy: -40.890630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.890630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.890630 (E_RNA) where: Base-Base interactions energy: -18.107 where: short stacking energy: -18.107 Base-Backbone interact. energy: -0.000 local terms energy: -22.783369 where: bonds (distance) C4'-P energy: -4.578 bonds (distance) P-C4' energy: -5.073 flat angles C4'-P-C4' energy: -5.624 flat angles P-C4'-P energy: -0.514 tors. eta vs tors. theta energy: -6.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 321 Temperature: 1.000000 Total energy: -33.329221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.329221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.329221 (E_RNA) where: Base-Base interactions energy: -12.714 where: short stacking energy: -12.714 Base-Backbone interact. energy: -0.034 local terms energy: -20.581176 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -5.382 flat angles P-C4'-P energy: -3.656 tors. eta vs tors. theta energy: 1.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 321 Temperature: 1.050000 Total energy: -30.623815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.623815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.623815 (E_RNA) where: Base-Base interactions energy: -10.156 where: short stacking energy: -9.455 Base-Backbone interact. energy: -0.144 local terms energy: -20.323480 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -4.589 flat angles C4'-P-C4' energy: -4.525 flat angles P-C4'-P energy: -4.254 tors. eta vs tors. theta energy: -1.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 321 Temperature: 1.100000 Total energy: -32.537650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.537650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.537650 (E_RNA) where: Base-Base interactions energy: -12.477 where: short stacking energy: -12.477 Base-Backbone interact. energy: -0.038 local terms energy: -20.022741 where: bonds (distance) C4'-P energy: -4.719 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -5.326 flat angles P-C4'-P energy: -5.252 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: 6, replica: 8 ===================================== Write number: 321 Temperature: 1.150000 Total energy: -30.665845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.665845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.665845 (E_RNA) where: Base-Base interactions energy: -10.047 where: short stacking energy: -10.047 Base-Backbone interact. energy: -0.017 local terms energy: -20.601523 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -5.691 flat angles P-C4'-P energy: -2.082 tors. eta vs tors. theta energy: -0.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 321 Temperature: 1.200000 Total energy: -31.619798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.619798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.619798 (E_RNA) where: Base-Base interactions energy: -9.206 where: short stacking energy: -9.206 Base-Backbone interact. energy: -0.010 local terms energy: -22.403586 where: bonds (distance) C4'-P energy: -5.891 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -4.591 flat angles P-C4'-P energy: -3.608 tors. eta vs tors. theta energy: -1.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 321 Temperature: 1.250000 Total energy: -33.529357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.529357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.529357 (E_RNA) where: Base-Base interactions energy: -11.838 where: short stacking energy: -11.838 Base-Backbone interact. energy: -0.056 local terms energy: -21.635157 where: bonds (distance) C4'-P energy: -5.261 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -4.034 flat angles P-C4'-P energy: -3.582 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: 321 Temperature: 1.300000 Total energy: -25.220666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.220666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.220666 (E_RNA) where: Base-Base interactions energy: -4.266 where: short stacking energy: -4.266 Base-Backbone interact. energy: -0.000 local terms energy: -20.955025 where: bonds (distance) C4'-P energy: -5.278 bonds (distance) P-C4' energy: -5.600 flat angles C4'-P-C4' energy: -3.958 flat angles P-C4'-P energy: -4.095 tors. eta vs tors. theta energy: -2.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 321 Temperature: 1.350000 Total energy: -29.827855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.827855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.827855 (E_RNA) where: Base-Base interactions energy: -10.232 where: short stacking energy: -10.232 Base-Backbone interact. energy: -0.000 local terms energy: -19.596075 where: bonds (distance) C4'-P energy: 1.802 bonds (distance) P-C4' energy: -6.432 flat angles C4'-P-C4' energy: -6.151 flat angles P-C4'-P energy: -4.410 tors. eta vs tors. theta energy: -4.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 322 Temperature: 0.900000 Total energy: -43.139412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.139412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.139412 (E_RNA) where: Base-Base interactions energy: -17.223 where: short stacking energy: -17.223 Base-Backbone interact. energy: -0.002 local terms energy: -25.913887 where: bonds (distance) C4'-P energy: -6.246 bonds (distance) P-C4' energy: -4.388 flat angles C4'-P-C4' energy: -6.024 flat angles P-C4'-P energy: -4.795 tors. eta vs tors. theta energy: -4.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 322 Temperature: 0.950000 Total energy: -39.995798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.995798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.995798 (E_RNA) where: Base-Base interactions energy: -13.171 where: short stacking energy: -13.171 Base-Backbone interact. energy: -0.000 local terms energy: -26.824980 where: bonds (distance) C4'-P energy: -5.766 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -4.671 flat angles P-C4'-P energy: -4.170 tors. eta vs tors. theta energy: -5.335 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: 9 ===================================== Write number: 322 Temperature: 1.000000 Total energy: -41.634546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.634546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.634546 (E_RNA) where: Base-Base interactions energy: -17.381 where: short stacking energy: -17.381 Base-Backbone interact. energy: -0.000 local terms energy: -24.253617 where: bonds (distance) C4'-P energy: -4.880 bonds (distance) P-C4' energy: -6.657 flat angles C4'-P-C4' energy: -4.089 flat angles P-C4'-P energy: -3.610 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: 5 ===================================== Write number: 322 Temperature: 1.050000 Total energy: -36.293932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.293932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.293932 (E_RNA) where: Base-Base interactions energy: -13.567 where: short stacking energy: -10.803 Base-Backbone interact. energy: -0.014 local terms energy: -22.712181 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.457 flat angles C4'-P-C4' energy: -4.237 flat angles P-C4'-P energy: -2.706 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: 5, replica: 8 ===================================== Write number: 322 Temperature: 1.100000 Total energy: -29.073276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.073276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.073276 (E_RNA) where: Base-Base interactions energy: -9.501 where: short stacking energy: -9.501 Base-Backbone interact. energy: -0.007 local terms energy: -19.565546 where: bonds (distance) C4'-P energy: -5.261 bonds (distance) P-C4' energy: -6.227 flat angles C4'-P-C4' energy: -4.698 flat angles P-C4'-P energy: -3.476 tors. eta vs tors. theta energy: 0.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 322 Temperature: 1.150000 Total energy: -35.855247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.855247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.855247 (E_RNA) where: Base-Base interactions energy: -13.996 where: short stacking energy: -13.996 Base-Backbone interact. energy: -0.004 local terms energy: -21.855955 where: bonds (distance) C4'-P energy: -4.318 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -5.100 flat angles P-C4'-P energy: -3.780 tors. eta vs tors. theta energy: -1.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 322 Temperature: 1.200000 Total energy: -32.161364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.161364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.161364 (E_RNA) where: Base-Base interactions energy: -9.938 where: short stacking energy: -9.938 Base-Backbone interact. energy: -0.000 local terms energy: -22.223258 where: bonds (distance) C4'-P energy: -5.402 bonds (distance) P-C4' energy: -5.534 flat angles C4'-P-C4' energy: -5.319 flat angles P-C4'-P energy: -4.026 tors. eta vs tors. theta energy: -1.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 322 Temperature: 1.250000 Total energy: -36.122013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.122013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.122013 (E_RNA) where: Base-Base interactions energy: -9.563 where: short stacking energy: -9.563 Base-Backbone interact. energy: -0.000 local terms energy: -26.558705 where: bonds (distance) C4'-P energy: -5.153 bonds (distance) P-C4' energy: -6.153 flat angles C4'-P-C4' energy: -6.611 flat angles P-C4'-P energy: -4.329 tors. eta vs tors. theta energy: -4.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 322 Temperature: 1.300000 Total energy: -30.291941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.291941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.291941 (E_RNA) where: Base-Base interactions energy: -9.119 where: short stacking energy: -9.119 Base-Backbone interact. energy: -0.008 local terms energy: -21.165075 where: bonds (distance) C4'-P energy: -4.719 bonds (distance) P-C4' energy: -6.199 flat angles C4'-P-C4' energy: -4.300 flat angles P-C4'-P energy: -3.469 tors. eta vs tors. theta energy: -2.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 322 Temperature: 1.350000 Total energy: -33.344643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.344643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.344643 (E_RNA) where: Base-Base interactions energy: -9.705 where: short stacking energy: -9.705 Base-Backbone interact. energy: -0.042 local terms energy: -23.597800 where: bonds (distance) C4'-P energy: -4.888 bonds (distance) P-C4' energy: -6.227 flat angles C4'-P-C4' energy: -6.371 flat angles P-C4'-P energy: -3.829 tors. eta vs tors. theta energy: -2.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 323 Temperature: 0.900000 Total energy: -38.159648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.159648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.159648 (E_RNA) where: Base-Base interactions energy: -14.258 where: short stacking energy: -14.258 Base-Backbone interact. energy: -0.000 local terms energy: -23.902039 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -4.028 flat angles P-C4'-P energy: -2.343 tors. eta vs tors. theta energy: -5.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 323 Temperature: 0.950000 Total energy: -42.828490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.828490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.828490 (E_RNA) where: Base-Base interactions energy: -17.997 where: short stacking energy: -17.997 Base-Backbone interact. energy: -0.000 local terms energy: -24.831486 where: bonds (distance) C4'-P energy: -3.618 bonds (distance) P-C4' energy: -5.956 flat angles C4'-P-C4' energy: -6.088 flat angles P-C4'-P energy: -3.227 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: 3, replica: 1 ===================================== Write number: 323 Temperature: 1.000000 Total energy: -37.059641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.059641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.059641 (E_RNA) where: Base-Base interactions energy: -14.783 where: short stacking energy: -14.783 Base-Backbone interact. energy: -0.000 local terms energy: -22.276843 where: bonds (distance) C4'-P energy: -5.216 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -6.571 flat angles P-C4'-P energy: -3.215 tors. eta vs tors. theta energy: -0.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 323 Temperature: 1.050000 Total energy: -34.418526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.418526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.418526 (E_RNA) where: Base-Base interactions energy: -13.729 where: short stacking energy: -13.729 Base-Backbone interact. energy: -0.079 local terms energy: -20.610454 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -5.770 flat angles C4'-P-C4' energy: -5.902 flat angles P-C4'-P energy: -3.436 tors. eta vs tors. theta energy: 0.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 323 Temperature: 1.100000 Total energy: -38.484905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.484905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.484905 (E_RNA) where: Base-Base interactions energy: -13.245 where: short stacking energy: -13.245 Base-Backbone interact. energy: -0.000 local terms energy: -25.239785 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.407 flat angles C4'-P-C4' energy: -4.600 flat angles P-C4'-P energy: -4.797 tors. eta vs tors. theta energy: -3.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 323 Temperature: 1.150000 Total energy: -33.660469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.660469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.660469 (E_RNA) where: Base-Base interactions energy: -10.788 where: short stacking energy: -9.427 Base-Backbone interact. energy: -0.070 local terms energy: -22.802299 where: bonds (distance) C4'-P energy: -5.368 bonds (distance) P-C4' energy: -6.174 flat angles C4'-P-C4' energy: -6.465 flat angles P-C4'-P energy: -0.817 tors. eta vs tors. theta energy: -3.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 323 Temperature: 1.200000 Total energy: -31.817546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.817546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.817546 (E_RNA) where: Base-Base interactions energy: -10.285 where: short stacking energy: -10.285 Base-Backbone interact. energy: -0.000 local terms energy: -21.532043 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -3.731 flat angles C4'-P-C4' energy: -4.452 flat angles P-C4'-P energy: -4.374 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: 8, replica: 4 ===================================== Write number: 323 Temperature: 1.250000 Total energy: -34.370584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.370584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.370584 (E_RNA) where: Base-Base interactions energy: -9.837 where: short stacking energy: -9.837 Base-Backbone interact. energy: -0.005 local terms energy: -24.528520 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -4.568 flat angles P-C4'-P energy: -2.504 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: 9, replica: 7 ===================================== Write number: 323 Temperature: 1.300000 Total energy: -32.024451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.024451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.024451 (E_RNA) where: Base-Base interactions energy: -12.537 where: short stacking energy: -12.537 Base-Backbone interact. energy: -0.001 local terms energy: -19.485876 where: bonds (distance) C4'-P energy: -3.704 bonds (distance) P-C4' energy: -5.086 flat angles C4'-P-C4' energy: -4.974 flat angles P-C4'-P energy: -4.930 tors. eta vs tors. theta energy: -0.790 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: 323 Temperature: 1.350000 Total energy: -29.157133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.157133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.157133 (E_RNA) where: Base-Base interactions energy: -9.284 where: short stacking energy: -9.284 Base-Backbone interact. energy: -0.009 local terms energy: -19.864429 where: bonds (distance) C4'-P energy: -2.901 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -4.843 flat angles P-C4'-P energy: -4.813 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: 9 ===================================== Write number: 324 Temperature: 0.900000 Total energy: -36.367913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.367913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.367913 (E_RNA) where: Base-Base interactions energy: -12.924 where: short stacking energy: -12.924 Base-Backbone interact. energy: -0.009 local terms energy: -23.434603 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -6.625 flat angles C4'-P-C4' energy: -5.328 flat angles P-C4'-P energy: -4.412 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: 2, replica: 10 ===================================== Write number: 324 Temperature: 0.950000 Total energy: -34.362147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.362147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.362147 (E_RNA) where: Base-Base interactions energy: -12.765 where: short stacking energy: -10.187 Base-Backbone interact. energy: -0.234 local terms energy: -21.363226 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -6.615 flat angles C4'-P-C4' energy: -5.828 flat angles P-C4'-P energy: -4.477 tors. eta vs tors. theta energy: 1.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 324 Temperature: 1.000000 Total energy: -36.286497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.286497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.286497 (E_RNA) where: Base-Base interactions energy: -11.969 where: short stacking energy: -11.969 Base-Backbone interact. energy: -0.000 local terms energy: -24.317538 where: bonds (distance) C4'-P energy: -5.100 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.622 flat angles P-C4'-P energy: -4.405 tors. eta vs tors. theta energy: -2.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 324 Temperature: 1.050000 Total energy: -38.310003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.310003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.310003 (E_RNA) where: Base-Base interactions energy: -13.199 where: short stacking energy: -13.199 Base-Backbone interact. energy: -0.101 local terms energy: -25.009991 where: bonds (distance) C4'-P energy: -4.532 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -5.529 flat angles P-C4'-P energy: -4.054 tors. eta vs tors. theta energy: -3.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 324 Temperature: 1.100000 Total energy: -36.051515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.051515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.051515 (E_RNA) where: Base-Base interactions energy: -13.454 where: short stacking energy: -13.454 Base-Backbone interact. energy: -0.010 local terms energy: -22.587870 where: bonds (distance) C4'-P energy: -5.518 bonds (distance) P-C4' energy: -6.407 flat angles C4'-P-C4' energy: -5.408 flat angles P-C4'-P energy: -3.174 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: 6, replica: 5 ===================================== Write number: 324 Temperature: 1.150000 Total energy: -34.411963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.411963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.411963 (E_RNA) where: Base-Base interactions energy: -11.151 where: short stacking energy: -11.151 Base-Backbone interact. energy: -0.004 local terms energy: -23.257129 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -4.655 flat angles P-C4'-P energy: -3.541 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: 4 ===================================== Write number: 324 Temperature: 1.200000 Total energy: -35.501007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.501007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.501007 (E_RNA) where: Base-Base interactions energy: -12.775 where: short stacking energy: -12.775 Base-Backbone interact. energy: -0.000 local terms energy: -22.725544 where: bonds (distance) C4'-P energy: -5.990 bonds (distance) P-C4' energy: -5.941 flat angles C4'-P-C4' energy: -5.140 flat angles P-C4'-P energy: -1.537 tors. eta vs tors. theta energy: -4.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 324 Temperature: 1.250000 Total energy: -38.166192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.166192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.166192 (E_RNA) where: Base-Base interactions energy: -17.903 where: short stacking energy: -17.903 Base-Backbone interact. energy: -0.001 local terms energy: -20.261801 where: bonds (distance) C4'-P energy: -4.789 bonds (distance) P-C4' energy: -6.199 flat angles C4'-P-C4' energy: -5.848 flat angles P-C4'-P energy: -2.931 tors. eta vs tors. theta energy: -0.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 324 Temperature: 1.300000 Total energy: -32.815433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.815433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.815433 (E_RNA) where: Base-Base interactions energy: -12.182 where: short stacking energy: -12.182 Base-Backbone interact. energy: -0.000 local terms energy: -20.633737 where: bonds (distance) C4'-P energy: -3.389 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -5.658 flat angles P-C4'-P energy: -4.179 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: 10, replica: 7 ===================================== Write number: 324 Temperature: 1.350000 Total energy: -28.172241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.172241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.172241 (E_RNA) where: Base-Base interactions energy: -6.665 where: short stacking energy: -6.665 Base-Backbone interact. energy: -0.091 local terms energy: -21.415890 where: bonds (distance) C4'-P energy: -5.315 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -5.733 flat angles P-C4'-P energy: -4.209 tors. eta vs tors. theta energy: 0.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 325 Temperature: 0.900000 Total energy: -42.140904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.140904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.140904 (E_RNA) where: Base-Base interactions energy: -17.544 where: short stacking energy: -17.544 Base-Backbone interact. energy: -0.073 local terms energy: -24.523711 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -5.537 flat angles P-C4'-P energy: -5.276 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: 2, replica: 8 ===================================== Write number: 325 Temperature: 0.950000 Total energy: -42.244168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.244168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.244168 (E_RNA) where: Base-Base interactions energy: -13.785 where: short stacking energy: -13.785 Base-Backbone interact. energy: -0.000 local terms energy: -28.458881 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -6.079 flat angles P-C4'-P energy: -4.558 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: 3, replica: 10 ===================================== Write number: 325 Temperature: 1.000000 Total energy: -34.978853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.978853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.978853 (E_RNA) where: Base-Base interactions energy: -13.395 where: short stacking energy: -13.395 Base-Backbone interact. energy: -0.000 local terms energy: -21.583650 where: bonds (distance) C4'-P energy: -4.859 bonds (distance) P-C4' energy: -5.512 flat angles C4'-P-C4' energy: -5.273 flat angles P-C4'-P energy: -3.488 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: 1 ===================================== Write number: 325 Temperature: 1.050000 Total energy: -33.896233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.896233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.896233 (E_RNA) where: Base-Base interactions energy: -10.076 where: short stacking energy: -10.076 Base-Backbone interact. energy: -0.000 local terms energy: -23.820097 where: bonds (distance) C4'-P energy: -3.804 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.826 flat angles P-C4'-P energy: -5.331 tors. eta vs tors. theta energy: -1.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 325 Temperature: 1.100000 Total energy: -35.956809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.956809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.956809 (E_RNA) where: Base-Base interactions energy: -12.931 where: short stacking energy: -12.931 Base-Backbone interact. energy: -0.000 local terms energy: -23.025469 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.330 flat angles P-C4'-P energy: -2.354 tors. eta vs tors. theta energy: -2.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 325 Temperature: 1.150000 Total energy: -33.765655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.765655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.765655 (E_RNA) where: Base-Base interactions energy: -11.728 where: short stacking energy: -11.728 Base-Backbone interact. energy: -0.008 local terms energy: -22.029834 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -4.162 flat angles C4'-P-C4' energy: -4.799 flat angles P-C4'-P energy: -2.683 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: 7, replica: 5 ===================================== Write number: 325 Temperature: 1.200000 Total energy: -34.326039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.326039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.326039 (E_RNA) where: Base-Base interactions energy: -12.345 where: short stacking energy: -12.502 Base-Backbone interact. energy: -0.003 local terms energy: -21.977712 where: bonds (distance) C4'-P energy: -4.383 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -5.389 flat angles P-C4'-P energy: -2.654 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: 8, replica: 2 ===================================== Write number: 325 Temperature: 1.250000 Total energy: -32.699350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.699350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.699350 (E_RNA) where: Base-Base interactions energy: -12.477 where: short stacking energy: -12.477 Base-Backbone interact. energy: -0.019 local terms energy: -20.203189 where: bonds (distance) C4'-P energy: -5.137 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -3.770 flat angles P-C4'-P energy: -4.206 tors. eta vs tors. theta energy: -0.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 325 Temperature: 1.300000 Total energy: -36.302645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.302645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.302645 (E_RNA) where: Base-Base interactions energy: -9.862 where: short stacking energy: -9.862 Base-Backbone interact. energy: -0.000 local terms energy: -26.440368 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.623 flat angles P-C4'-P energy: -4.463 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: 10, replica: 7 ===================================== Write number: 325 Temperature: 1.350000 Total energy: -28.883501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.883501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.883501 (E_RNA) where: Base-Base interactions energy: -9.890 where: short stacking energy: -9.890 Base-Backbone interact. energy: -0.000 local terms energy: -18.993704 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -3.349 flat angles C4'-P-C4' energy: -2.209 flat angles P-C4'-P energy: -4.145 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: 1, replica: 8 ===================================== Write number: 326 Temperature: 0.900000 Total energy: -40.883925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.883925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.883925 (E_RNA) where: Base-Base interactions energy: -16.630 where: short stacking energy: -16.630 Base-Backbone interact. energy: -0.000 local terms energy: -24.254100 where: bonds (distance) C4'-P energy: -5.357 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -5.227 flat angles P-C4'-P energy: -3.788 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: 2, replica: 9 ===================================== Write number: 326 Temperature: 0.950000 Total energy: -33.845845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.845845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.845845 (E_RNA) where: Base-Base interactions energy: -11.031 where: short stacking energy: -11.031 Base-Backbone interact. energy: -0.087 local terms energy: -22.728381 where: bonds (distance) C4'-P energy: -4.913 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -5.411 flat angles P-C4'-P energy: -4.943 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: 1 ===================================== Write number: 326 Temperature: 1.000000 Total energy: -40.953690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.953690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.953690 (E_RNA) where: Base-Base interactions energy: -16.384 where: short stacking energy: -16.384 Base-Backbone interact. energy: -0.117 local terms energy: -24.452589 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -6.113 flat angles P-C4'-P energy: -4.472 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: 4, replica: 10 ===================================== Write number: 326 Temperature: 1.050000 Total energy: -35.691084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.691084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.691084 (E_RNA) where: Base-Base interactions energy: -13.127 where: short stacking energy: -13.127 Base-Backbone interact. energy: -0.000 local terms energy: -22.564302 where: bonds (distance) C4'-P energy: -5.244 bonds (distance) P-C4' energy: -6.149 flat angles C4'-P-C4' energy: -5.165 flat angles P-C4'-P energy: -2.420 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: 5, replica: 4 ===================================== Write number: 326 Temperature: 1.100000 Total energy: -31.465773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.465773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.465773 (E_RNA) where: Base-Base interactions energy: -9.819 where: short stacking energy: -9.819 Base-Backbone interact. energy: -0.001 local terms energy: -21.645968 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -5.361 flat angles C4'-P-C4' energy: -4.668 flat angles P-C4'-P energy: -4.717 tors. eta vs tors. theta energy: -0.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 326 Temperature: 1.150000 Total energy: -35.788626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.788626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.788626 (E_RNA) where: Base-Base interactions energy: -13.968 where: short stacking energy: -13.968 Base-Backbone interact. energy: -0.509 local terms energy: -21.311466 where: bonds (distance) C4'-P energy: -6.044 bonds (distance) P-C4' energy: -5.364 flat angles C4'-P-C4' energy: -2.342 flat angles P-C4'-P energy: -2.703 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: 7, replica: 5 ===================================== Write number: 326 Temperature: 1.200000 Total energy: -32.069926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.069926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.069926 (E_RNA) where: Base-Base interactions energy: -13.842 where: short stacking energy: -13.842 Base-Backbone interact. energy: -0.025 local terms energy: -18.203027 where: bonds (distance) C4'-P energy: -5.535 bonds (distance) P-C4' energy: -5.128 flat angles C4'-P-C4' energy: -4.168 flat angles P-C4'-P energy: -2.281 tors. eta vs tors. theta energy: -1.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 326 Temperature: 1.250000 Total energy: -30.523608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.523608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.523608 (E_RNA) where: Base-Base interactions energy: -6.560 where: short stacking energy: -6.560 Base-Backbone interact. energy: -0.075 local terms energy: -23.888775 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -5.020 flat angles P-C4'-P energy: -3.468 tors. eta vs tors. theta energy: -3.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 326 Temperature: 1.300000 Total energy: -26.432951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.432951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.432951 (E_RNA) where: Base-Base interactions energy: -9.112 where: short stacking energy: -9.112 Base-Backbone interact. energy: -0.011 local terms energy: -17.310143 where: bonds (distance) C4'-P energy: -4.144 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.146 flat angles P-C4'-P energy: -1.600 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: 10, replica: 6 ===================================== Write number: 326 Temperature: 1.350000 Total energy: -27.938166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.938166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.938166 (E_RNA) where: Base-Base interactions energy: -9.052 where: short stacking energy: -9.052 Base-Backbone interact. energy: -0.089 local terms energy: -18.797251 where: bonds (distance) C4'-P energy: -5.535 bonds (distance) P-C4' energy: -6.447 flat angles C4'-P-C4' energy: -5.064 flat angles P-C4'-P energy: -2.296 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: 8 ===================================== Write number: 327 Temperature: 0.900000 Total energy: -48.372075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.372075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.372075 (E_RNA) where: Base-Base interactions energy: -19.606 where: short stacking energy: -19.606 Base-Backbone interact. energy: -0.000 local terms energy: -28.766017 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -6.438 flat angles C4'-P-C4' energy: -4.451 flat angles P-C4'-P energy: -5.276 tors. eta vs tors. theta energy: -6.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 327 Temperature: 0.950000 Total energy: -40.776543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.776543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.776543 (E_RNA) where: Base-Base interactions energy: -16.509 where: short stacking energy: -16.509 Base-Backbone interact. energy: -0.044 local terms energy: -24.223350 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -5.695 flat angles P-C4'-P energy: -4.231 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: 3, replica: 9 ===================================== Write number: 327 Temperature: 1.000000 Total energy: -39.856690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.856690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.856690 (E_RNA) where: Base-Base interactions energy: -14.905 where: short stacking energy: -14.905 Base-Backbone interact. energy: -0.003 local terms energy: -24.948732 where: bonds (distance) C4'-P energy: -4.496 bonds (distance) P-C4' energy: -5.839 flat angles C4'-P-C4' energy: -6.156 flat angles P-C4'-P energy: -5.079 tors. eta vs tors. theta energy: -3.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 327 Temperature: 1.050000 Total energy: -37.267951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.267951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.267951 (E_RNA) where: Base-Base interactions energy: -13.930 where: short stacking energy: -13.930 Base-Backbone interact. energy: -0.000 local terms energy: -23.337786 where: bonds (distance) C4'-P energy: -4.967 bonds (distance) P-C4' energy: -5.361 flat angles C4'-P-C4' energy: -5.949 flat angles P-C4'-P energy: -4.392 tors. eta vs tors. theta energy: -2.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 327 Temperature: 1.100000 Total energy: -30.796172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.796172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.796172 (E_RNA) where: Base-Base interactions energy: -10.825 where: short stacking energy: -10.825 Base-Backbone interact. energy: -0.129 local terms energy: -19.841399 where: bonds (distance) C4'-P energy: -4.694 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -5.189 flat angles P-C4'-P energy: -3.141 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: 6, replica: 3 ===================================== Write number: 327 Temperature: 1.150000 Total energy: -33.993336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.993336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.993336 (E_RNA) where: Base-Base interactions energy: -12.459 where: short stacking energy: -12.459 Base-Backbone interact. energy: -0.003 local terms energy: -21.531115 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -2.282 flat angles P-C4'-P energy: -4.710 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: 7, replica: 5 ===================================== Write number: 327 Temperature: 1.200000 Total energy: -31.097447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.097447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.097447 (E_RNA) where: Base-Base interactions energy: -12.305 where: short stacking energy: -12.305 Base-Backbone interact. energy: -0.002 local terms energy: -18.790291 where: bonds (distance) C4'-P energy: -4.193 bonds (distance) P-C4' energy: -6.615 flat angles C4'-P-C4' energy: -5.162 flat angles P-C4'-P energy: -1.866 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: 7 ===================================== Write number: 327 Temperature: 1.250000 Total energy: -32.878613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.878613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.878613 (E_RNA) where: Base-Base interactions energy: -10.977 where: short stacking energy: -10.977 Base-Backbone interact. energy: 0.514 local terms energy: -22.415348 where: bonds (distance) C4'-P energy: -5.241 bonds (distance) P-C4' energy: -6.125 flat angles C4'-P-C4' energy: -6.461 flat angles P-C4'-P energy: -2.694 tors. eta vs tors. theta energy: -1.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 327 Temperature: 1.300000 Total energy: -25.724697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.724697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.724697 (E_RNA) where: Base-Base interactions energy: -5.206 where: short stacking energy: -5.206 Base-Backbone interact. energy: -0.100 local terms energy: -20.418823 where: bonds (distance) C4'-P energy: -4.028 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -5.612 flat angles P-C4'-P energy: -4.171 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: 10, replica: 6 ===================================== Write number: 327 Temperature: 1.350000 Total energy: -29.441951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.441951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.441951 (E_RNA) where: Base-Base interactions energy: -4.532 where: short stacking energy: -4.532 Base-Backbone interact. energy: -0.000 local terms energy: -24.909325 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -7.144 flat angles C4'-P-C4' energy: -4.974 flat angles P-C4'-P energy: -2.889 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: 1, replica: 8 ===================================== Write number: 328 Temperature: 0.900000 Total energy: -45.370972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.370972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.370972 (E_RNA) where: Base-Base interactions energy: -18.235 where: short stacking energy: -18.235 Base-Backbone interact. energy: -0.000 local terms energy: -27.135491 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -7.144 flat angles C4'-P-C4' energy: -5.427 flat angles P-C4'-P energy: -5.237 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: 2, replica: 1 ===================================== Write number: 328 Temperature: 0.950000 Total energy: -40.875639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.875639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.875639 (E_RNA) where: Base-Base interactions energy: -14.200 where: short stacking energy: -14.200 Base-Backbone interact. energy: -0.000 local terms energy: -26.676064 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -4.864 flat angles P-C4'-P energy: -4.338 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: 3, replica: 10 ===================================== Write number: 328 Temperature: 1.000000 Total energy: -37.375844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.375844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.375844 (E_RNA) where: Base-Base interactions energy: -12.568 where: short stacking energy: -12.568 Base-Backbone interact. energy: -0.000 local terms energy: -24.808177 where: bonds (distance) C4'-P energy: -5.998 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -2.940 flat angles P-C4'-P energy: -4.154 tors. eta vs tors. theta energy: -4.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 328 Temperature: 1.050000 Total energy: -33.682030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.682030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.682030 (E_RNA) where: Base-Base interactions energy: -11.376 where: short stacking energy: -11.376 Base-Backbone interact. energy: -0.000 local terms energy: -22.305715 where: bonds (distance) C4'-P energy: -3.759 bonds (distance) P-C4' energy: -5.205 flat angles C4'-P-C4' energy: -5.597 flat angles P-C4'-P energy: -4.827 tors. eta vs tors. theta energy: -2.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 328 Temperature: 1.100000 Total energy: -38.051723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.051723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.051723 (E_RNA) where: Base-Base interactions energy: -13.262 where: short stacking energy: -13.262 Base-Backbone interact. energy: -0.000 local terms energy: -24.789771 where: bonds (distance) C4'-P energy: -5.535 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -4.574 flat angles P-C4'-P energy: -3.196 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: 6, replica: 3 ===================================== Write number: 328 Temperature: 1.150000 Total energy: -35.074051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.074051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.074051 (E_RNA) where: Base-Base interactions energy: -10.686 where: short stacking energy: -10.686 Base-Backbone interact. energy: -0.005 local terms energy: -24.383189 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.100 flat angles C4'-P-C4' energy: -6.578 flat angles P-C4'-P energy: -5.238 tors. eta vs tors. theta energy: -0.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 328 Temperature: 1.200000 Total energy: -29.255322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.255322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.255322 (E_RNA) where: Base-Base interactions energy: -7.812 where: short stacking energy: -7.812 Base-Backbone interact. energy: -0.045 local terms energy: -21.398344 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -3.928 flat angles P-C4'-P energy: -4.074 tors. eta vs tors. theta energy: -0.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 328 Temperature: 1.250000 Total energy: -37.196268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.196268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.196268 (E_RNA) where: Base-Base interactions energy: -14.972 where: short stacking energy: -14.972 Base-Backbone interact. energy: -0.000 local terms energy: -22.224194 where: bonds (distance) C4'-P energy: -2.554 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -4.977 flat angles P-C4'-P energy: -3.355 tors. eta vs tors. theta energy: -5.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 328 Temperature: 1.300000 Total energy: -27.517920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.517920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.517920 (E_RNA) where: Base-Base interactions energy: -6.722 where: short stacking energy: -6.722 Base-Backbone interact. energy: -0.002 local terms energy: -20.793262 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -5.298 flat angles C4'-P-C4' energy: -4.919 flat angles P-C4'-P energy: -3.048 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: 2 ===================================== Write number: 328 Temperature: 1.350000 Total energy: -30.989502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.989502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.989502 (E_RNA) where: Base-Base interactions energy: -9.455 where: short stacking energy: -9.455 Base-Backbone interact. energy: -0.000 local terms energy: -21.534322 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.460 flat angles C4'-P-C4' energy: -2.732 flat angles P-C4'-P energy: -4.208 tors. eta vs tors. theta energy: -2.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 329 Temperature: 0.900000 Total energy: -41.857973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.857973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.857973 (E_RNA) where: Base-Base interactions energy: -14.648 where: short stacking energy: -14.648 Base-Backbone interact. energy: -0.000 local terms energy: -27.209828 where: bonds (distance) C4'-P energy: -6.060 bonds (distance) P-C4' energy: -5.935 flat angles C4'-P-C4' energy: -6.466 flat angles P-C4'-P energy: -3.385 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: 2, replica: 1 ===================================== Write number: 329 Temperature: 0.950000 Total energy: -41.310208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.310208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.310208 (E_RNA) where: Base-Base interactions energy: -14.689 where: short stacking energy: -14.689 Base-Backbone interact. energy: -0.068 local terms energy: -26.553301 where: bonds (distance) C4'-P energy: -6.354 bonds (distance) P-C4' energy: -5.892 flat angles C4'-P-C4' energy: -5.650 flat angles P-C4'-P energy: -4.643 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: 3, replica: 10 ===================================== Write number: 329 Temperature: 1.000000 Total energy: -40.689453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.689453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.689453 (E_RNA) where: Base-Base interactions energy: -17.767 where: short stacking energy: -17.767 Base-Backbone interact. energy: -0.002 local terms energy: -22.919716 where: bonds (distance) C4'-P energy: -5.608 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -4.269 flat angles P-C4'-P energy: -4.946 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: 4, replica: 4 ===================================== Write number: 329 Temperature: 1.050000 Total energy: -35.241436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.241436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.241436 (E_RNA) where: Base-Base interactions energy: -10.013 where: short stacking energy: -10.013 Base-Backbone interact. energy: -0.007 local terms energy: -25.221831 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -5.903 flat angles P-C4'-P energy: -4.693 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: 5, replica: 9 ===================================== Write number: 329 Temperature: 1.100000 Total energy: -30.921643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.921643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.921643 (E_RNA) where: Base-Base interactions energy: -9.048 where: short stacking energy: -9.048 Base-Backbone interact. energy: -0.100 local terms energy: -21.773089 where: bonds (distance) C4'-P energy: -4.665 bonds (distance) P-C4' energy: -6.125 flat angles C4'-P-C4' energy: -6.090 flat angles P-C4'-P energy: -3.407 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: 6, replica: 7 ===================================== Write number: 329 Temperature: 1.150000 Total energy: -34.388802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.388802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.388802 (E_RNA) where: Base-Base interactions energy: -10.722 where: short stacking energy: -10.722 Base-Backbone interact. energy: -0.000 local terms energy: -23.666892 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -4.634 flat angles P-C4'-P energy: -4.690 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: 7, replica: 3 ===================================== Write number: 329 Temperature: 1.200000 Total energy: -30.044051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.044051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.044051 (E_RNA) where: Base-Base interactions energy: -7.629 where: short stacking energy: -8.429 Base-Backbone interact. energy: -1.353 local terms energy: -21.061332 where: bonds (distance) C4'-P energy: -5.228 bonds (distance) P-C4' energy: -6.156 flat angles C4'-P-C4' energy: -3.529 flat angles P-C4'-P energy: -3.484 tors. eta vs tors. theta energy: -2.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 329 Temperature: 1.250000 Total energy: -32.225899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.225899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.225899 (E_RNA) where: Base-Base interactions energy: -12.055 where: short stacking energy: -12.155 Base-Backbone interact. energy: 0.567 local terms energy: -20.738191 where: bonds (distance) C4'-P energy: -5.990 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -5.195 flat angles P-C4'-P energy: -3.940 tors. eta vs tors. theta energy: 0.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 329 Temperature: 1.300000 Total energy: -27.267369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.267369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.267369 (E_RNA) where: Base-Base interactions energy: -8.405 where: short stacking energy: -8.405 Base-Backbone interact. energy: -0.002 local terms energy: -18.860141 where: bonds (distance) C4'-P energy: -4.756 bonds (distance) P-C4' energy: -6.199 flat angles C4'-P-C4' energy: -2.785 flat angles P-C4'-P energy: -4.503 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: 2 ===================================== Write number: 329 Temperature: 1.350000 Total energy: -30.826322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.826322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.826322 (E_RNA) where: Base-Base interactions energy: -9.256 where: short stacking energy: -9.256 Base-Backbone interact. energy: -0.011 local terms energy: -21.559892 where: bonds (distance) C4'-P energy: -5.766 bonds (distance) P-C4' energy: -6.886 flat angles C4'-P-C4' energy: -4.029 flat angles P-C4'-P energy: -3.871 tors. eta vs tors. theta energy: -1.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 330 Temperature: 0.900000 Total energy: -39.121105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.121105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.121105 (E_RNA) where: Base-Base interactions energy: -16.135 where: short stacking energy: -16.135 Base-Backbone interact. energy: -0.004 local terms energy: -22.982017 where: bonds (distance) C4'-P energy: -4.532 bonds (distance) P-C4' energy: -6.392 flat angles C4'-P-C4' energy: -4.938 flat angles P-C4'-P energy: -3.731 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: 2, replica: 8 ===================================== Write number: 330 Temperature: 0.950000 Total energy: -35.756655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.756655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.756655 (E_RNA) where: Base-Base interactions energy: -13.070 where: short stacking energy: -13.070 Base-Backbone interact. energy: -0.016 local terms energy: -22.670804 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.153 flat angles C4'-P-C4' energy: -4.511 flat angles P-C4'-P energy: -3.322 tors. eta vs tors. theta energy: -2.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 330 Temperature: 1.000000 Total energy: -34.338883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.338883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.338883 (E_RNA) where: Base-Base interactions energy: -12.846 where: short stacking energy: -13.073 Base-Backbone interact. energy: -0.000 local terms energy: -21.492881 where: bonds (distance) C4'-P energy: -4.541 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.467 flat angles P-C4'-P energy: -2.903 tors. eta vs tors. theta energy: -1.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 330 Temperature: 1.050000 Total energy: -33.671104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.671104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.671104 (E_RNA) where: Base-Base interactions energy: -12.213 where: short stacking energy: -12.213 Base-Backbone interact. energy: -0.912 local terms energy: -20.546269 where: bonds (distance) C4'-P energy: -5.037 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -3.844 flat angles P-C4'-P energy: -3.317 tors. eta vs tors. theta energy: -2.153 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: 5, replica: 7 ===================================== Write number: 330 Temperature: 1.100000 Total energy: -35.423449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.423449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.423449 (E_RNA) where: Base-Base interactions energy: -11.708 where: short stacking energy: -11.708 Base-Backbone interact. energy: 0.218 local terms energy: -23.933482 where: bonds (distance) C4'-P energy: -5.042 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.743 flat angles P-C4'-P energy: -3.243 tors. eta vs tors. theta energy: -3.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 330 Temperature: 1.150000 Total energy: -35.921240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.921240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.921240 (E_RNA) where: Base-Base interactions energy: -13.179 where: short stacking energy: -13.179 Base-Backbone interact. energy: -0.091 local terms energy: -22.651803 where: bonds (distance) C4'-P energy: -5.766 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -3.705 flat angles P-C4'-P energy: -3.405 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: 3 ===================================== Write number: 330 Temperature: 1.200000 Total energy: -28.835654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.835654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.835654 (E_RNA) where: Base-Base interactions energy: -7.386 where: short stacking energy: -7.386 Base-Backbone interact. energy: -0.147 local terms energy: -21.303166 where: bonds (distance) C4'-P energy: -4.434 bonds (distance) P-C4' energy: -6.407 flat angles C4'-P-C4' energy: -6.010 flat angles P-C4'-P energy: -3.555 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: 8, replica: 6 ===================================== Write number: 330 Temperature: 1.250000 Total energy: -29.678711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.678711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.678711 (E_RNA) where: Base-Base interactions energy: -9.133 where: short stacking energy: -9.133 Base-Backbone interact. energy: 0.517 local terms energy: -21.062082 where: bonds (distance) C4'-P energy: -3.841 bonds (distance) P-C4' energy: -6.392 flat angles C4'-P-C4' energy: -3.548 flat angles P-C4'-P energy: -4.538 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: 9, replica: 2 ===================================== Write number: 330 Temperature: 1.300000 Total energy: -34.311407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.311407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.311407 (E_RNA) where: Base-Base interactions energy: -12.586 where: short stacking energy: -12.586 Base-Backbone interact. energy: -0.091 local terms energy: -21.634467 where: bonds (distance) C4'-P energy: -4.214 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -5.550 flat angles P-C4'-P energy: -2.917 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: 5 ===================================== Write number: 330 Temperature: 1.350000 Total energy: -33.617067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.617067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.617067 (E_RNA) where: Base-Base interactions energy: -13.191 where: short stacking energy: -13.191 Base-Backbone interact. energy: -0.000 local terms energy: -20.425597 where: bonds (distance) C4'-P energy: -3.833 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -4.026 flat angles P-C4'-P energy: -2.432 tors. eta vs tors. theta energy: -3.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 331 Temperature: 0.900000 Total energy: -38.786111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.786111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.786111 (E_RNA) where: Base-Base interactions energy: -12.062 where: short stacking energy: -12.062 Base-Backbone interact. energy: -0.004 local terms energy: -26.719177 where: bonds (distance) C4'-P energy: -5.091 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -6.427 flat angles P-C4'-P energy: -3.625 tors. eta vs tors. theta energy: -5.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 331 Temperature: 0.950000 Total energy: -37.124862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.124862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.124862 (E_RNA) where: Base-Base interactions energy: -14.269 where: short stacking energy: -14.269 Base-Backbone interact. energy: -0.048 local terms energy: -22.807800 where: bonds (distance) C4'-P energy: -5.750 bonds (distance) P-C4' energy: -5.604 flat angles C4'-P-C4' energy: -3.174 flat angles P-C4'-P energy: -4.857 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: 4 ===================================== Write number: 331 Temperature: 1.000000 Total energy: -37.721127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.721127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.721127 (E_RNA) where: Base-Base interactions energy: -12.325 where: short stacking energy: -12.325 Base-Backbone interact. energy: -0.000 local terms energy: -25.395623 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -4.656 flat angles C4'-P-C4' energy: -5.655 flat angles P-C4'-P energy: -3.989 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: 4, replica: 10 ===================================== Write number: 331 Temperature: 1.050000 Total energy: -35.740801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.740801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.740801 (E_RNA) where: Base-Base interactions energy: -11.338 where: short stacking energy: -11.338 Base-Backbone interact. energy: -0.000 local terms energy: -24.402157 where: bonds (distance) C4'-P energy: -5.716 bonds (distance) P-C4' energy: -6.181 flat angles C4'-P-C4' energy: -5.766 flat angles P-C4'-P energy: -3.288 tors. eta vs tors. theta energy: -3.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 331 Temperature: 1.100000 Total energy: -34.339644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.339644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.339644 (E_RNA) where: Base-Base interactions energy: -12.373 where: short stacking energy: -12.373 Base-Backbone interact. energy: -0.001 local terms energy: -21.965865 where: bonds (distance) C4'-P energy: -5.295 bonds (distance) P-C4' energy: -4.649 flat angles C4'-P-C4' energy: -6.449 flat angles P-C4'-P energy: -3.092 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: 6, replica: 3 ===================================== Write number: 331 Temperature: 1.150000 Total energy: -35.701428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.701428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.701428 (E_RNA) where: Base-Base interactions energy: -12.256 where: short stacking energy: -12.256 Base-Backbone interact. energy: -0.000 local terms energy: -23.445238 where: bonds (distance) C4'-P energy: -5.411 bonds (distance) P-C4' energy: -5.597 flat angles C4'-P-C4' energy: -6.344 flat angles P-C4'-P energy: -3.760 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: 9 ===================================== Write number: 331 Temperature: 1.200000 Total energy: -28.412679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.412679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.412679 (E_RNA) where: Base-Base interactions energy: -4.781 where: short stacking energy: -4.781 Base-Backbone interact. energy: -0.316 local terms energy: -23.315840 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -5.276 flat angles C4'-P-C4' energy: -6.064 flat angles P-C4'-P energy: -4.319 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: 8, replica: 2 ===================================== Write number: 331 Temperature: 1.250000 Total energy: -26.747452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.747452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.747452 (E_RNA) where: Base-Base interactions energy: -10.188 where: short stacking energy: -10.188 Base-Backbone interact. energy: -0.050 local terms energy: -16.509668 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -6.873 flat angles C4'-P-C4' energy: -4.476 flat angles P-C4'-P energy: 0.087 tors. eta vs tors. theta energy: 0.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 331 Temperature: 1.300000 Total energy: -29.719683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.719683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.719683 (E_RNA) where: Base-Base interactions energy: -9.715 where: short stacking energy: -9.715 Base-Backbone interact. energy: 0.571 local terms energy: -20.575496 where: bonds (distance) C4'-P energy: -5.473 bonds (distance) P-C4' energy: -5.305 flat angles C4'-P-C4' energy: -4.482 flat angles P-C4'-P energy: -3.829 tors. eta vs tors. theta energy: -1.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 331 Temperature: 1.350000 Total energy: -32.876142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.876142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.876142 (E_RNA) where: Base-Base interactions energy: -9.387 where: short stacking energy: -9.387 Base-Backbone interact. energy: -0.000 local terms energy: -23.489223 where: bonds (distance) C4'-P energy: -5.721 bonds (distance) P-C4' energy: -5.466 flat angles C4'-P-C4' energy: -4.353 flat angles P-C4'-P energy: -3.468 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: 1, replica: 8 ===================================== Write number: 332 Temperature: 0.900000 Total energy: -36.367497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.367497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.367497 (E_RNA) where: Base-Base interactions energy: -10.998 where: short stacking energy: -10.998 Base-Backbone interact. energy: -0.097 local terms energy: -25.272723 where: bonds (distance) C4'-P energy: -4.923 bonds (distance) P-C4' energy: -6.873 flat angles C4'-P-C4' energy: -4.083 flat angles P-C4'-P energy: -5.562 tors. eta vs tors. theta energy: -3.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 332 Temperature: 0.950000 Total energy: -39.114208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.114208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.114208 (E_RNA) where: Base-Base interactions energy: -13.100 where: short stacking energy: -13.100 Base-Backbone interact. energy: -0.000 local terms energy: -26.013940 where: bonds (distance) C4'-P energy: -5.535 bonds (distance) P-C4' energy: -6.615 flat angles C4'-P-C4' energy: -5.998 flat angles P-C4'-P energy: -4.144 tors. eta vs tors. theta energy: -3.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 332 Temperature: 1.000000 Total energy: -36.815203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.815203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.815203 (E_RNA) where: Base-Base interactions energy: -15.516 where: short stacking energy: -15.516 Base-Backbone interact. energy: -0.000 local terms energy: -21.298905 where: bonds (distance) C4'-P energy: -5.766 bonds (distance) P-C4' energy: -6.364 flat angles C4'-P-C4' energy: -4.955 flat angles P-C4'-P energy: -2.937 tors. eta vs tors. theta energy: -1.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 332 Temperature: 1.050000 Total energy: -42.115236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.115236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.115236 (E_RNA) where: Base-Base interactions energy: -13.866 where: short stacking energy: -13.866 Base-Backbone interact. energy: -0.000 local terms energy: -28.249019 where: bonds (distance) C4'-P energy: -6.354 bonds (distance) P-C4' energy: -6.199 flat angles C4'-P-C4' energy: -6.059 flat angles P-C4'-P energy: -3.105 tors. eta vs tors. theta energy: -6.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 332 Temperature: 1.100000 Total energy: -33.539517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.539517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.539517 (E_RNA) where: Base-Base interactions energy: -11.795 where: short stacking energy: -11.795 Base-Backbone interact. energy: -0.005 local terms energy: -21.740402 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -3.375 flat angles P-C4'-P energy: -4.158 tors. eta vs tors. theta energy: -1.427 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: 7 ===================================== Write number: 332 Temperature: 1.150000 Total energy: -31.017974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.017974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.017974 (E_RNA) where: Base-Base interactions energy: -8.176 where: short stacking energy: -8.176 Base-Backbone interact. energy: -0.102 local terms energy: -22.739626 where: bonds (distance) C4'-P energy: -4.748 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -6.186 flat angles P-C4'-P energy: -4.879 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: 7, replica: 2 ===================================== Write number: 332 Temperature: 1.200000 Total energy: -33.782248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.782248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.782248 (E_RNA) where: Base-Base interactions energy: -11.227 where: short stacking energy: -11.227 Base-Backbone interact. energy: -0.000 local terms energy: -22.555333 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -3.897 flat angles P-C4'-P energy: -3.152 tors. eta vs tors. theta energy: -3.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 332 Temperature: 1.250000 Total energy: -31.563265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.563265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.563265 (E_RNA) where: Base-Base interactions energy: -9.222 where: short stacking energy: -9.222 Base-Backbone interact. energy: -0.016 local terms energy: -22.325890 where: bonds (distance) C4'-P energy: -4.872 bonds (distance) P-C4' energy: -5.273 flat angles C4'-P-C4' energy: -5.616 flat angles P-C4'-P energy: -3.015 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: 9, replica: 5 ===================================== Write number: 332 Temperature: 1.300000 Total energy: -33.790616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.790616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.790616 (E_RNA) where: Base-Base interactions energy: -13.456 where: short stacking energy: -13.456 Base-Backbone interact. energy: -0.607 local terms energy: -19.727679 where: bonds (distance) C4'-P energy: -4.888 bonds (distance) P-C4' energy: -5.417 flat angles C4'-P-C4' energy: -4.087 flat angles P-C4'-P energy: -3.255 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: 10, replica: 6 ===================================== Write number: 332 Temperature: 1.350000 Total energy: -36.799767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.799767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.799767 (E_RNA) where: Base-Base interactions energy: -13.937 where: short stacking energy: -13.937 Base-Backbone interact. energy: -0.001 local terms energy: -22.862716 where: bonds (distance) C4'-P energy: -2.972 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -5.384 flat angles P-C4'-P energy: -3.844 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: 1, replica: 8 ===================================== Write number: 333 Temperature: 0.900000 Total energy: -38.775370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.775370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.775370 (E_RNA) where: Base-Base interactions energy: -13.821 where: short stacking energy: -13.821 Base-Backbone interact. energy: -0.000 local terms energy: -24.953845 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -5.114 flat angles P-C4'-P energy: -3.881 tors. eta vs tors. theta energy: -3.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 333 Temperature: 0.950000 Total energy: -40.014027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.014027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.014027 (E_RNA) where: Base-Base interactions energy: -15.964 where: short stacking energy: -15.964 Base-Backbone interact. energy: -0.000 local terms energy: -24.050219 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -5.506 flat angles C4'-P-C4' energy: -5.575 flat angles P-C4'-P energy: -3.726 tors. eta vs tors. theta energy: -3.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 333 Temperature: 1.000000 Total energy: -39.464982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.464982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.464982 (E_RNA) where: Base-Base interactions energy: -16.908 where: short stacking energy: -16.908 Base-Backbone interact. energy: -0.001 local terms energy: -22.556295 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -4.770 flat angles P-C4'-P energy: -4.279 tors. eta vs tors. theta energy: -2.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 333 Temperature: 1.050000 Total energy: -34.687363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.687363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.687363 (E_RNA) where: Base-Base interactions energy: -10.994 where: short stacking energy: -10.994 Base-Backbone interact. energy: -0.000 local terms energy: -23.693384 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.457 flat angles C4'-P-C4' energy: -5.802 flat angles P-C4'-P energy: -2.984 tors. eta vs tors. theta energy: -2.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 333 Temperature: 1.100000 Total energy: -37.589803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.589803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.589803 (E_RNA) where: Base-Base interactions energy: -14.177 where: short stacking energy: -14.177 Base-Backbone interact. energy: -0.000 local terms energy: -23.412517 where: bonds (distance) C4'-P energy: -3.585 bonds (distance) P-C4' energy: -4.786 flat angles C4'-P-C4' energy: -4.907 flat angles P-C4'-P energy: -3.324 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: 6, replica: 2 ===================================== Write number: 333 Temperature: 1.150000 Total energy: -33.151589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.151589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.151589 (E_RNA) where: Base-Base interactions energy: -10.223 where: short stacking energy: -10.223 Base-Backbone interact. energy: -0.085 local terms energy: -22.843853 where: bonds (distance) C4'-P energy: -5.104 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.176 flat angles P-C4'-P energy: -4.310 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: 7, replica: 7 ===================================== Write number: 333 Temperature: 1.200000 Total energy: -35.846942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.846942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.846942 (E_RNA) where: Base-Base interactions energy: -10.816 where: short stacking energy: -10.816 Base-Backbone interact. energy: -0.001 local terms energy: -25.030273 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -4.942 flat angles P-C4'-P energy: -4.428 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: 5 ===================================== Write number: 333 Temperature: 1.250000 Total energy: -27.623869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.623869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.623869 (E_RNA) where: Base-Base interactions energy: -6.541 where: short stacking energy: -6.541 Base-Backbone interact. energy: -0.004 local terms energy: -21.078409 where: bonds (distance) C4'-P energy: -5.153 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -4.743 flat angles P-C4'-P energy: -3.564 tors. eta vs tors. theta energy: -1.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 333 Temperature: 1.300000 Total energy: -29.723355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.723355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.723355 (E_RNA) where: Base-Base interactions energy: -13.411 where: short stacking energy: -13.411 Base-Backbone interact. energy: -0.003 local terms energy: -16.309486 where: bonds (distance) C4'-P energy: -1.986 bonds (distance) P-C4' energy: -3.498 flat angles C4'-P-C4' energy: -6.010 flat angles P-C4'-P energy: -2.383 tors. eta vs tors. theta energy: -2.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 333 Temperature: 1.350000 Total energy: -29.849245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.849245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.849245 (E_RNA) where: Base-Base interactions energy: -10.137 where: short stacking energy: -10.137 Base-Backbone interact. energy: 0.201 local terms energy: -19.913098 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -4.647 flat angles C4'-P-C4' energy: -5.804 flat angles P-C4'-P energy: -0.150 tors. eta vs tors. theta energy: -2.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 334 Temperature: 0.900000 Total energy: -45.188334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.188334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.188334 (E_RNA) where: Base-Base interactions energy: -17.634 where: short stacking energy: -17.634 Base-Backbone interact. energy: -0.000 local terms energy: -27.554156 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -7.147 flat angles C4'-P-C4' energy: -5.674 flat angles P-C4'-P energy: -3.925 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: 2, replica: 8 ===================================== Write number: 334 Temperature: 0.950000 Total energy: -38.204777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.204777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.204777 (E_RNA) where: Base-Base interactions energy: -13.912 where: short stacking energy: -13.912 Base-Backbone interact. energy: -0.000 local terms energy: -24.292663 where: bonds (distance) C4'-P energy: -4.392 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -4.800 flat angles P-C4'-P energy: -3.435 tors. eta vs tors. theta energy: -4.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 334 Temperature: 1.000000 Total energy: -37.604444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.604444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.604444 (E_RNA) where: Base-Base interactions energy: -12.428 where: short stacking energy: -12.428 Base-Backbone interact. energy: -0.000 local terms energy: -25.175841 where: bonds (distance) C4'-P energy: -5.766 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -5.652 flat angles P-C4'-P energy: -4.524 tors. eta vs tors. theta energy: -2.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 334 Temperature: 1.050000 Total energy: -37.317499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.317499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.317499 (E_RNA) where: Base-Base interactions energy: -14.670 where: short stacking energy: -14.670 Base-Backbone interact. energy: 1.355 local terms energy: -24.002692 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.914 flat angles C4'-P-C4' energy: -4.587 flat angles P-C4'-P energy: -3.146 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: 5, replica: 2 ===================================== Write number: 334 Temperature: 1.100000 Total energy: -35.324564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.324564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.324564 (E_RNA) where: Base-Base interactions energy: -14.021 where: short stacking energy: -14.021 Base-Backbone interact. energy: 0.590 local terms energy: -21.893452 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.122 flat angles C4'-P-C4' energy: -6.152 flat angles P-C4'-P energy: -3.909 tors. eta vs tors. theta energy: 0.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 334 Temperature: 1.150000 Total energy: -33.883978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.883978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.883978 (E_RNA) where: Base-Base interactions energy: -8.669 where: short stacking energy: -8.669 Base-Backbone interact. energy: -0.000 local terms energy: -25.214410 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -5.254 flat angles P-C4'-P energy: -3.714 tors. eta vs tors. theta energy: -2.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 334 Temperature: 1.200000 Total energy: -28.003169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.003169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.003169 (E_RNA) where: Base-Base interactions energy: -8.370 where: short stacking energy: -8.370 Base-Backbone interact. energy: -0.096 local terms energy: -19.536842 where: bonds (distance) C4'-P energy: -4.789 bonds (distance) P-C4' energy: -6.396 flat angles C4'-P-C4' energy: -3.972 flat angles P-C4'-P energy: -2.870 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: 8, replica: 7 ===================================== Write number: 334 Temperature: 1.250000 Total energy: -32.787444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.787444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.787444 (E_RNA) where: Base-Base interactions energy: -9.998 where: short stacking energy: -9.998 Base-Backbone interact. energy: -0.000 local terms energy: -22.789364 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -5.836 flat angles C4'-P-C4' energy: -6.216 flat angles P-C4'-P energy: -3.873 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: 6 ===================================== Write number: 334 Temperature: 1.300000 Total energy: -32.250705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.250705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.250705 (E_RNA) where: Base-Base interactions energy: -8.040 where: short stacking energy: -8.040 Base-Backbone interact. energy: -0.002 local terms energy: -24.208696 where: bonds (distance) C4'-P energy: -4.967 bonds (distance) P-C4' energy: -6.873 flat angles C4'-P-C4' energy: -6.077 flat angles P-C4'-P energy: -4.668 tors. eta vs tors. theta energy: -1.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 334 Temperature: 1.350000 Total energy: -29.936146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.936146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.936146 (E_RNA) where: Base-Base interactions energy: -10.809 where: short stacking energy: -10.809 Base-Backbone interact. energy: -0.096 local terms energy: -19.031446 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -3.687 flat angles C4'-P-C4' energy: -3.743 flat angles P-C4'-P energy: -4.595 tors. eta vs tors. theta energy: -1.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 335 Temperature: 0.900000 Total energy: -42.414459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.414459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.414459 (E_RNA) where: Base-Base interactions energy: -15.541 where: short stacking energy: -15.541 Base-Backbone interact. energy: -0.000 local terms energy: -26.873598 where: bonds (distance) C4'-P energy: -5.651 bonds (distance) P-C4' energy: -6.438 flat angles C4'-P-C4' energy: -6.174 flat angles P-C4'-P energy: -4.073 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: 4 ===================================== Write number: 335 Temperature: 0.950000 Total energy: -35.812957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.812957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.812957 (E_RNA) where: Base-Base interactions energy: -11.490 where: short stacking energy: -11.490 Base-Backbone interact. energy: -0.028 local terms energy: -24.294604 where: bonds (distance) C4'-P energy: -4.835 bonds (distance) P-C4' energy: -5.368 flat angles C4'-P-C4' energy: -5.338 flat angles P-C4'-P energy: -5.070 tors. eta vs tors. theta energy: -3.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 335 Temperature: 1.000000 Total energy: -38.750696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.750696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.750696 (E_RNA) where: Base-Base interactions energy: -14.304 where: short stacking energy: -14.304 Base-Backbone interact. energy: -0.006 local terms energy: -24.441592 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -4.744 flat angles P-C4'-P energy: -4.341 tors. eta vs tors. theta energy: -3.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 335 Temperature: 1.050000 Total energy: -35.779026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.779026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.779026 (E_RNA) where: Base-Base interactions energy: -13.963 where: short stacking energy: -13.963 Base-Backbone interact. energy: -0.018 local terms energy: -21.798410 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -4.194 flat angles P-C4'-P energy: -3.881 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: 1 ===================================== Write number: 335 Temperature: 1.100000 Total energy: -33.767337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.767337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.767337 (E_RNA) where: Base-Base interactions energy: -14.411 where: short stacking energy: -14.411 Base-Backbone interact. energy: 0.122 local terms energy: -19.478326 where: bonds (distance) C4'-P energy: -5.589 bonds (distance) P-C4' energy: -3.031 flat angles C4'-P-C4' energy: -5.694 flat angles P-C4'-P energy: -4.452 tors. eta vs tors. theta energy: -0.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 335 Temperature: 1.150000 Total energy: -37.077323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.077323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.077323 (E_RNA) where: Base-Base interactions energy: -17.240 where: short stacking energy: -17.240 Base-Backbone interact. energy: -0.000 local terms energy: -19.836718 where: bonds (distance) C4'-P energy: -2.450 bonds (distance) P-C4' energy: -6.125 flat angles C4'-P-C4' energy: -5.325 flat angles P-C4'-P energy: -2.427 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: 3 ===================================== Write number: 335 Temperature: 1.200000 Total energy: -36.775839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.775839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.775839 (E_RNA) where: Base-Base interactions energy: -14.634 where: short stacking energy: -14.634 Base-Backbone interact. energy: -0.000 local terms energy: -22.141251 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -5.889 flat angles C4'-P-C4' energy: -5.145 flat angles P-C4'-P energy: -2.706 tors. eta vs tors. theta energy: -3.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 335 Temperature: 1.250000 Total energy: -30.191632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.191632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.191632 (E_RNA) where: Base-Base interactions energy: -10.309 where: short stacking energy: -10.309 Base-Backbone interact. energy: 0.464 local terms energy: -20.346884 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -3.598 flat angles P-C4'-P energy: -3.490 tors. eta vs tors. theta energy: -0.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 335 Temperature: 1.300000 Total energy: -31.083035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.083035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.083035 (E_RNA) where: Base-Base interactions energy: -10.555 where: short stacking energy: -10.555 Base-Backbone interact. energy: -0.047 local terms energy: -20.480726 where: bonds (distance) C4'-P energy: -4.864 bonds (distance) P-C4' energy: -5.956 flat angles C4'-P-C4' energy: -3.109 flat angles P-C4'-P energy: -5.394 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: 10, replica: 9 ===================================== Write number: 335 Temperature: 1.350000 Total energy: -26.917594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.917594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.917594 (E_RNA) where: Base-Base interactions energy: -8.878 where: short stacking energy: -8.878 Base-Backbone interact. energy: -0.092 local terms energy: -17.947391 where: bonds (distance) C4'-P energy: -4.516 bonds (distance) P-C4' energy: -5.995 flat angles C4'-P-C4' energy: -4.365 flat angles P-C4'-P energy: -0.859 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: 1, replica: 4 ===================================== Write number: 336 Temperature: 0.900000 Total energy: -40.835308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.835308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.835308 (E_RNA) where: Base-Base interactions energy: -15.690 where: short stacking energy: -16.602 Base-Backbone interact. energy: -0.042 local terms energy: -25.103042 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -4.614 flat angles P-C4'-P energy: -3.325 tors. eta vs tors. theta energy: -4.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 336 Temperature: 0.950000 Total energy: -39.719121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.719121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.719121 (E_RNA) where: Base-Base interactions energy: -17.890 where: short stacking energy: -17.890 Base-Backbone interact. energy: -0.000 local terms energy: -21.828716 where: bonds (distance) C4'-P energy: -4.310 bonds (distance) P-C4' energy: -6.392 flat angles C4'-P-C4' energy: -5.303 flat angles P-C4'-P energy: -4.081 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: 3, replica: 2 ===================================== Write number: 336 Temperature: 1.000000 Total energy: -39.341824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.341824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.341824 (E_RNA) where: Base-Base interactions energy: -12.981 where: short stacking energy: -12.981 Base-Backbone interact. energy: -0.013 local terms energy: -26.347511 where: bonds (distance) C4'-P energy: -6.462 bonds (distance) P-C4' energy: -5.702 flat angles C4'-P-C4' energy: -6.201 flat angles P-C4'-P energy: -4.221 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: 4, replica: 8 ===================================== Write number: 336 Temperature: 1.050000 Total energy: -39.021953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.021953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.021953 (E_RNA) where: Base-Base interactions energy: -13.229 where: short stacking energy: -13.229 Base-Backbone interact. energy: -0.052 local terms energy: -25.741825 where: bonds (distance) C4'-P energy: -3.854 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -6.292 flat angles P-C4'-P energy: -4.345 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: 5, replica: 5 ===================================== Write number: 336 Temperature: 1.100000 Total energy: -40.503934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.503934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.503934 (E_RNA) where: Base-Base interactions energy: -15.488 where: short stacking energy: -15.488 Base-Backbone interact. energy: -0.000 local terms energy: -25.016126 where: bonds (distance) C4'-P energy: -5.456 bonds (distance) P-C4' energy: -4.914 flat angles C4'-P-C4' energy: -4.725 flat angles P-C4'-P energy: -5.124 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: 1 ===================================== Write number: 336 Temperature: 1.150000 Total energy: -31.290720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.290720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.290720 (E_RNA) where: Base-Base interactions energy: -9.645 where: short stacking energy: -9.645 Base-Backbone interact. energy: -0.503 local terms energy: -21.142898 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -5.143 flat angles P-C4'-P energy: -1.536 tors. eta vs tors. theta energy: -1.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 336 Temperature: 1.200000 Total energy: -28.021240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.021240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.021240 (E_RNA) where: Base-Base interactions energy: -6.876 where: short stacking energy: -6.876 Base-Backbone interact. energy: -0.509 local terms energy: -20.636080 where: bonds (distance) C4'-P energy: -4.106 bonds (distance) P-C4' energy: -5.916 flat angles C4'-P-C4' energy: -4.981 flat angles P-C4'-P energy: -4.418 tors. eta vs tors. theta energy: -1.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 336 Temperature: 1.250000 Total energy: -39.696229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.696229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.696229 (E_RNA) where: Base-Base interactions energy: -15.530 where: short stacking energy: -15.530 Base-Backbone interact. energy: -0.683 local terms energy: -23.483235 where: bonds (distance) C4'-P energy: -5.572 bonds (distance) P-C4' energy: -5.674 flat angles C4'-P-C4' energy: -3.923 flat angles P-C4'-P energy: -3.911 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: 9, replica: 9 ===================================== Write number: 336 Temperature: 1.300000 Total energy: -30.118691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.118691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.118691 (E_RNA) where: Base-Base interactions energy: -11.225 where: short stacking energy: -11.225 Base-Backbone interact. energy: -0.003 local terms energy: -18.890083 where: bonds (distance) C4'-P energy: -1.986 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -4.304 flat angles P-C4'-P energy: -3.608 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: 10, replica: 7 ===================================== Write number: 336 Temperature: 1.350000 Total energy: -29.545274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.545274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.545274 (E_RNA) where: Base-Base interactions energy: -8.939 where: short stacking energy: -8.939 Base-Backbone interact. energy: 0.091 local terms energy: -20.696764 where: bonds (distance) C4'-P energy: -5.145 bonds (distance) P-C4' energy: -5.153 flat angles C4'-P-C4' energy: -5.673 flat angles P-C4'-P energy: -4.935 tors. eta vs tors. theta energy: 0.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 337 Temperature: 0.900000 Total energy: -44.040987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.040987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.040987 (E_RNA) where: Base-Base interactions energy: -16.897 where: short stacking energy: -16.897 Base-Backbone interact. energy: -0.018 local terms energy: -27.126681 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -5.986 flat angles P-C4'-P energy: -3.442 tors. eta vs tors. theta energy: -5.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 337 Temperature: 0.950000 Total energy: -38.076043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.076043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.076043 (E_RNA) where: Base-Base interactions energy: -14.503 where: short stacking energy: -14.503 Base-Backbone interact. energy: -0.000 local terms energy: -23.572791 where: bonds (distance) C4'-P energy: -6.023 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -6.466 flat angles P-C4'-P energy: -3.244 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: 3, replica: 2 ===================================== Write number: 337 Temperature: 1.000000 Total energy: -40.819720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.819720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.819720 (E_RNA) where: Base-Base interactions energy: -16.508 where: short stacking energy: -16.508 Base-Backbone interact. energy: -0.006 local terms energy: -24.305739 where: bonds (distance) C4'-P energy: -4.983 bonds (distance) P-C4' energy: -6.199 flat angles C4'-P-C4' energy: -6.412 flat angles P-C4'-P energy: -4.720 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: 4, replica: 5 ===================================== Write number: 337 Temperature: 1.050000 Total energy: -40.950582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.950582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.950582 (E_RNA) where: Base-Base interactions energy: -13.467 where: short stacking energy: -13.467 Base-Backbone interact. energy: -0.000 local terms energy: -27.483649 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -4.871 flat angles P-C4'-P energy: -4.505 tors. eta vs tors. theta energy: -5.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 337 Temperature: 1.100000 Total energy: -36.629293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.629293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.629293 (E_RNA) where: Base-Base interactions energy: -12.937 where: short stacking energy: -12.937 Base-Backbone interact. energy: -0.000 local terms energy: -23.692451 where: bonds (distance) C4'-P energy: -5.651 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -4.200 flat angles P-C4'-P energy: -4.748 tors. eta vs tors. theta energy: -2.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 337 Temperature: 1.150000 Total energy: -33.423710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.423710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.423710 (E_RNA) where: Base-Base interactions energy: -9.505 where: short stacking energy: -9.505 Base-Backbone interact. energy: -0.006 local terms energy: -23.912546 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -6.886 flat angles C4'-P-C4' energy: -6.083 flat angles P-C4'-P energy: -3.159 tors. eta vs tors. theta energy: -2.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 337 Temperature: 1.200000 Total energy: -33.687319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.687319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.687319 (E_RNA) where: Base-Base interactions energy: -12.958 where: short stacking energy: -12.958 Base-Backbone interact. energy: -0.019 local terms energy: -20.710444 where: bonds (distance) C4'-P energy: -3.617 bonds (distance) P-C4' energy: -6.447 flat angles C4'-P-C4' energy: -6.326 flat angles P-C4'-P energy: -2.330 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: 8, replica: 9 ===================================== Write number: 337 Temperature: 1.250000 Total energy: -29.249444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.249444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.249444 (E_RNA) where: Base-Base interactions energy: -10.256 where: short stacking energy: -10.256 Base-Backbone interact. energy: -0.188 local terms energy: -18.805496 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -5.273 flat angles C4'-P-C4' energy: -5.056 flat angles P-C4'-P energy: -3.526 tors. eta vs tors. theta energy: 0.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 337 Temperature: 1.300000 Total energy: -30.424539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.424539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.424539 (E_RNA) where: Base-Base interactions energy: -8.937 where: short stacking energy: -8.937 Base-Backbone interact. energy: -0.000 local terms energy: -21.487467 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.097 flat angles C4'-P-C4' energy: -4.056 flat angles P-C4'-P energy: -4.405 tors. eta vs tors. theta energy: -0.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 337 Temperature: 1.350000 Total energy: -33.634825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.634825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.634825 (E_RNA) where: Base-Base interactions energy: -13.879 where: short stacking energy: -13.879 Base-Backbone interact. energy: -0.005 local terms energy: -19.750593 where: bonds (distance) C4'-P energy: -4.508 bonds (distance) P-C4' energy: -4.430 flat angles C4'-P-C4' energy: -5.336 flat angles P-C4'-P energy: -2.309 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: 1, replica: 10 ===================================== Write number: 338 Temperature: 0.900000 Total energy: -36.985371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.985371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.985371 (E_RNA) where: Base-Base interactions energy: -12.806 where: short stacking energy: -12.806 Base-Backbone interact. energy: -1.202 local terms energy: -22.976562 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -5.442 flat angles C4'-P-C4' energy: -3.860 flat angles P-C4'-P energy: -5.068 tors. eta vs tors. theta energy: -2.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 338 Temperature: 0.950000 Total energy: -36.465764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.465764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.465764 (E_RNA) where: Base-Base interactions energy: -13.989 where: short stacking energy: -13.989 Base-Backbone interact. energy: -0.097 local terms energy: -22.379418 where: bonds (distance) C4'-P energy: -6.060 bonds (distance) P-C4' energy: -6.365 flat angles C4'-P-C4' energy: -3.517 flat angles P-C4'-P energy: -3.134 tors. eta vs tors. theta energy: -3.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 338 Temperature: 1.000000 Total energy: -38.895415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.895415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.895415 (E_RNA) where: Base-Base interactions energy: -14.084 where: short stacking energy: -14.084 Base-Backbone interact. energy: -0.000 local terms energy: -24.810941 where: bonds (distance) C4'-P energy: -4.673 bonds (distance) P-C4' energy: -5.569 flat angles C4'-P-C4' energy: -4.166 flat angles P-C4'-P energy: -4.196 tors. eta vs tors. theta energy: -6.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 338 Temperature: 1.050000 Total energy: -32.884664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.884664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.884664 (E_RNA) where: Base-Base interactions energy: -12.231 where: short stacking energy: -12.231 Base-Backbone interact. energy: -0.122 local terms energy: -20.531081 where: bonds (distance) C4'-P energy: -4.383 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -5.239 flat angles P-C4'-P energy: -2.972 tors. eta vs tors. theta energy: -1.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 338 Temperature: 1.100000 Total energy: -32.187054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.187054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.187054 (E_RNA) where: Base-Base interactions energy: -9.848 where: short stacking energy: -9.848 Base-Backbone interact. energy: -0.009 local terms energy: -22.329898 where: bonds (distance) C4'-P energy: -5.518 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -4.723 flat angles P-C4'-P energy: -3.816 tors. eta vs tors. theta energy: -1.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 338 Temperature: 1.150000 Total energy: -42.012865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.012865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.012865 (E_RNA) where: Base-Base interactions energy: -16.977 where: short stacking energy: -16.977 Base-Backbone interact. energy: -0.000 local terms energy: -25.036076 where: bonds (distance) C4'-P energy: -5.096 bonds (distance) P-C4' energy: -6.442 flat angles C4'-P-C4' energy: -5.705 flat angles P-C4'-P energy: -2.596 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: 7, replica: 1 ===================================== Write number: 338 Temperature: 1.200000 Total energy: -36.357825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.357825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.357825 (E_RNA) where: Base-Base interactions energy: -14.482 where: short stacking energy: -14.482 Base-Backbone interact. energy: -0.083 local terms energy: -21.793089 where: bonds (distance) C4'-P energy: -4.755 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -4.319 flat angles P-C4'-P energy: -4.802 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: 8, replica: 9 ===================================== Write number: 338 Temperature: 1.250000 Total energy: -34.016678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.016678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.016678 (E_RNA) where: Base-Base interactions energy: -13.038 where: short stacking energy: -13.038 Base-Backbone interact. energy: -0.000 local terms energy: -20.978597 where: bonds (distance) C4'-P energy: -5.837 bonds (distance) P-C4' energy: -5.702 flat angles C4'-P-C4' energy: -4.510 flat angles P-C4'-P energy: -2.872 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: 9, replica: 7 ===================================== Write number: 338 Temperature: 1.300000 Total energy: -32.772531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.772531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.772531 (E_RNA) where: Base-Base interactions energy: -11.434 where: short stacking energy: -12.334 Base-Backbone interact. energy: -0.033 local terms energy: -21.305627 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -2.806 flat angles P-C4'-P energy: -4.106 tors. eta vs tors. theta energy: -3.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 338 Temperature: 1.350000 Total energy: -30.221417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.221417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.221417 (E_RNA) where: Base-Base interactions energy: -7.640 where: short stacking energy: -7.640 Base-Backbone interact. energy: -0.000 local terms energy: -22.580706 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.535 flat angles P-C4'-P energy: -1.655 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: 1, replica: 10 ===================================== Write number: 339 Temperature: 0.900000 Total energy: -35.598034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.598034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.598034 (E_RNA) where: Base-Base interactions energy: -13.797 where: short stacking energy: -13.797 Base-Backbone interact. energy: -0.000 local terms energy: -21.801343 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -6.032 flat angles P-C4'-P energy: -2.507 tors. eta vs tors. theta energy: -1.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 339 Temperature: 0.950000 Total energy: -39.728001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.728001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.728001 (E_RNA) where: Base-Base interactions energy: -14.027 where: short stacking energy: -14.027 Base-Backbone interact. energy: -0.047 local terms energy: -25.654216 where: bonds (distance) C4'-P energy: -5.696 bonds (distance) P-C4' energy: -5.537 flat angles C4'-P-C4' energy: -6.002 flat angles P-C4'-P energy: -4.854 tors. eta vs tors. theta energy: -3.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 339 Temperature: 1.000000 Total energy: -36.929589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.929589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.929589 (E_RNA) where: Base-Base interactions energy: -12.773 where: short stacking energy: -12.773 Base-Backbone interact. energy: -0.227 local terms energy: -23.930258 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -5.715 flat angles P-C4'-P energy: -4.154 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: 4, replica: 6 ===================================== Write number: 339 Temperature: 1.050000 Total energy: -34.325194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.325194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.325194 (E_RNA) where: Base-Base interactions energy: -12.756 where: short stacking energy: -12.756 Base-Backbone interact. energy: -0.005 local terms energy: -21.564817 where: bonds (distance) C4'-P energy: -4.888 bonds (distance) P-C4' energy: -5.086 flat angles C4'-P-C4' energy: -6.341 flat angles P-C4'-P energy: -2.445 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: 5, replica: 5 ===================================== Write number: 339 Temperature: 1.100000 Total energy: -29.796528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.796528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.796528 (E_RNA) where: Base-Base interactions energy: -10.044 where: short stacking energy: -10.044 Base-Backbone interact. energy: 0.137 local terms energy: -19.889528 where: bonds (distance) C4'-P energy: -4.727 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -6.077 flat angles P-C4'-P energy: -3.550 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: 6, replica: 1 ===================================== Write number: 339 Temperature: 1.150000 Total energy: -34.170105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.170105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.170105 (E_RNA) where: Base-Base interactions energy: -14.257 where: short stacking energy: -14.257 Base-Backbone interact. energy: -0.000 local terms energy: -19.912966 where: bonds (distance) C4'-P energy: -3.378 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -3.563 flat angles P-C4'-P energy: -4.077 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: 7, replica: 8 ===================================== Write number: 339 Temperature: 1.200000 Total energy: -35.252353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.252353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.252353 (E_RNA) where: Base-Base interactions energy: -15.297 where: short stacking energy: -15.297 Base-Backbone interact. energy: -0.000 local terms energy: -19.955332 where: bonds (distance) C4'-P energy: -3.965 bonds (distance) P-C4' energy: -3.907 flat angles C4'-P-C4' energy: -5.793 flat angles P-C4'-P energy: -4.050 tors. eta vs tors. theta energy: -2.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 339 Temperature: 1.250000 Total energy: -31.433892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.433892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.433892 (E_RNA) where: Base-Base interactions energy: -10.755 where: short stacking energy: -10.755 Base-Backbone interact. energy: -0.000 local terms energy: -20.679285 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -5.534 flat angles C4'-P-C4' energy: -2.632 flat angles P-C4'-P energy: -2.436 tors. eta vs tors. theta energy: -3.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 339 Temperature: 1.300000 Total energy: -27.121908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.121908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.121908 (E_RNA) where: Base-Base interactions energy: -10.323 where: short stacking energy: -10.323 Base-Backbone interact. energy: -0.006 local terms energy: -16.793065 where: bonds (distance) C4'-P energy: -4.192 bonds (distance) P-C4' energy: -4.110 flat angles C4'-P-C4' energy: -3.435 flat angles P-C4'-P energy: -4.376 tors. eta vs tors. theta energy: -0.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 339 Temperature: 1.350000 Total energy: -29.538960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.538960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.538960 (E_RNA) where: Base-Base interactions energy: -6.807 where: short stacking energy: -6.807 Base-Backbone interact. energy: 1.424 local terms energy: -24.155478 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -4.838 flat angles P-C4'-P energy: -3.794 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: 1, replica: 2 ===================================== Write number: 340 Temperature: 0.900000 Total energy: -43.677929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.677929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.677929 (E_RNA) where: Base-Base interactions energy: -17.003 where: short stacking energy: -17.003 Base-Backbone interact. energy: -0.001 local terms energy: -26.673489 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.382 flat angles C4'-P-C4' energy: -5.071 flat angles P-C4'-P energy: -3.643 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: 2, replica: 10 ===================================== Write number: 340 Temperature: 0.950000 Total energy: -40.901806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.901806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.901806 (E_RNA) where: Base-Base interactions energy: -17.245 where: short stacking energy: -17.245 Base-Backbone interact. energy: -0.047 local terms energy: -23.609969 where: bonds (distance) C4'-P energy: -6.160 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -6.309 flat angles P-C4'-P energy: -3.761 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: 3, replica: 6 ===================================== Write number: 340 Temperature: 1.000000 Total energy: -37.976708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.976708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.976708 (E_RNA) where: Base-Base interactions energy: -13.674 where: short stacking energy: -13.674 Base-Backbone interact. energy: -0.005 local terms energy: -24.297102 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -4.733 flat angles P-C4'-P energy: -4.467 tors. eta vs tors. theta energy: -2.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 340 Temperature: 1.050000 Total energy: -36.627942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.627942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.627942 (E_RNA) where: Base-Base interactions energy: -13.129 where: short stacking energy: -13.129 Base-Backbone interact. energy: -0.000 local terms energy: -23.498551 where: bonds (distance) C4'-P energy: -4.392 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -6.121 flat angles P-C4'-P energy: -2.511 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: 5, replica: 1 ===================================== Write number: 340 Temperature: 1.100000 Total energy: -36.818601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.818601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.818601 (E_RNA) where: Base-Base interactions energy: -16.247 where: short stacking energy: -16.247 Base-Backbone interact. energy: -0.012 local terms energy: -20.559545 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -5.745 flat angles P-C4'-P energy: -1.518 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: 6, replica: 5 ===================================== Write number: 340 Temperature: 1.150000 Total energy: -33.501039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.501039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.501039 (E_RNA) where: Base-Base interactions energy: -12.245 where: short stacking energy: -12.245 Base-Backbone interact. energy: -0.003 local terms energy: -21.252811 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -5.935 flat angles C4'-P-C4' energy: -4.411 flat angles P-C4'-P energy: -3.405 tors. eta vs tors. theta energy: -1.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 340 Temperature: 1.200000 Total energy: -34.263307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.263307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.263307 (E_RNA) where: Base-Base interactions energy: -14.393 where: short stacking energy: -14.393 Base-Backbone interact. energy: -0.000 local terms energy: -19.870491 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -6.438 flat angles C4'-P-C4' energy: -6.415 flat angles P-C4'-P energy: -1.892 tors. eta vs tors. theta energy: 0.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 340 Temperature: 1.250000 Total energy: -34.029227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.029227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.029227 (E_RNA) where: Base-Base interactions energy: -10.194 where: short stacking energy: -10.194 Base-Backbone interact. energy: -0.027 local terms energy: -23.808815 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -3.867 flat angles P-C4'-P energy: -3.965 tors. eta vs tors. theta energy: -2.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 340 Temperature: 1.300000 Total energy: -28.892203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.892203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.892203 (E_RNA) where: Base-Base interactions energy: -10.234 where: short stacking energy: -10.289 Base-Backbone interact. energy: -0.008 local terms energy: -18.649811 where: bonds (distance) C4'-P energy: -5.013 bonds (distance) P-C4' energy: -5.938 flat angles C4'-P-C4' energy: -4.163 flat angles P-C4'-P energy: -1.998 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: 9 ===================================== Write number: 340 Temperature: 1.350000 Total energy: -34.388314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.388314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.388314 (E_RNA) where: Base-Base interactions energy: -11.905 where: short stacking energy: -11.905 Base-Backbone interact. energy: -0.026 local terms energy: -22.457328 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -4.755 flat angles C4'-P-C4' energy: -5.670 flat angles P-C4'-P energy: -3.805 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: 1, replica: 2 ===================================== Write number: 341 Temperature: 0.900000 Total energy: -38.377408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.377408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.377408 (E_RNA) where: Base-Base interactions energy: -15.340 where: short stacking energy: -15.340 Base-Backbone interact. energy: -0.007 local terms energy: -23.030980 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.199 flat angles C4'-P-C4' energy: -6.099 flat angles P-C4'-P energy: -4.493 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: 2, replica: 6 ===================================== Write number: 341 Temperature: 0.950000 Total energy: -38.355235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.355235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.355235 (E_RNA) where: Base-Base interactions energy: -13.938 where: short stacking energy: -14.288 Base-Backbone interact. energy: -0.035 local terms energy: -24.382345 where: bonds (distance) C4'-P energy: -4.951 bonds (distance) P-C4' energy: -7.144 flat angles C4'-P-C4' energy: -5.706 flat angles P-C4'-P energy: -5.029 tors. eta vs tors. theta energy: -1.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 341 Temperature: 1.000000 Total energy: -40.234403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.234403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.234403 (E_RNA) where: Base-Base interactions energy: -15.618 where: short stacking energy: -15.618 Base-Backbone interact. energy: -0.000 local terms energy: -24.616565 where: bonds (distance) C4'-P energy: -5.651 bonds (distance) P-C4' energy: -5.923 flat angles C4'-P-C4' energy: -3.561 flat angles P-C4'-P energy: -4.788 tors. eta vs tors. theta energy: -4.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 341 Temperature: 1.050000 Total energy: -39.242795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.242795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.242795 (E_RNA) where: Base-Base interactions energy: -13.199 where: short stacking energy: -13.199 Base-Backbone interact. energy: 1.674 local terms energy: -27.717774 where: bonds (distance) C4'-P energy: -5.501 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -5.895 flat angles P-C4'-P energy: -4.127 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: 5, replica: 4 ===================================== Write number: 341 Temperature: 1.100000 Total energy: -32.367057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.367057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.367057 (E_RNA) where: Base-Base interactions energy: -8.266 where: short stacking energy: -8.266 Base-Backbone interact. energy: -0.001 local terms energy: -24.099965 where: bonds (distance) C4'-P energy: -5.411 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -6.241 flat angles P-C4'-P energy: -2.509 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: 6, replica: 7 ===================================== Write number: 341 Temperature: 1.150000 Total energy: -34.955478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.955478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.955478 (E_RNA) where: Base-Base interactions energy: -13.284 where: short stacking energy: -13.284 Base-Backbone interact. energy: -0.000 local terms energy: -21.671952 where: bonds (distance) C4'-P energy: -5.171 bonds (distance) P-C4' energy: -5.767 flat angles C4'-P-C4' energy: -4.622 flat angles P-C4'-P energy: -3.491 tors. eta vs tors. theta energy: -2.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 341 Temperature: 1.200000 Total energy: -30.351010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.351010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.351010 (E_RNA) where: Base-Base interactions energy: -9.180 where: short stacking energy: -9.180 Base-Backbone interact. energy: -0.127 local terms energy: -21.043767 where: bonds (distance) C4'-P energy: -5.473 bonds (distance) P-C4' energy: -5.276 flat angles C4'-P-C4' energy: -4.949 flat angles P-C4'-P energy: -5.297 tors. eta vs tors. theta energy: -0.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 341 Temperature: 1.250000 Total energy: -30.847256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.847256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.847256 (E_RNA) where: Base-Base interactions energy: -8.652 where: short stacking energy: -8.652 Base-Backbone interact. energy: -0.030 local terms energy: -22.165878 where: bonds (distance) C4'-P energy: -5.659 bonds (distance) P-C4' energy: -5.537 flat angles C4'-P-C4' energy: -4.958 flat angles P-C4'-P energy: -4.021 tors. eta vs tors. theta energy: -1.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 341 Temperature: 1.300000 Total energy: -29.327744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.327744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.327744 (E_RNA) where: Base-Base interactions energy: -7.757 where: short stacking energy: -7.757 Base-Backbone interact. energy: 0.307 local terms energy: -21.877250 where: bonds (distance) C4'-P energy: -3.725 bonds (distance) P-C4' energy: -5.730 flat angles C4'-P-C4' energy: -5.660 flat angles P-C4'-P energy: -4.710 tors. eta vs tors. theta energy: -2.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 341 Temperature: 1.350000 Total energy: -32.722541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.722541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.722541 (E_RNA) where: Base-Base interactions energy: -8.070 where: short stacking energy: -8.070 Base-Backbone interact. energy: -0.000 local terms energy: -24.652466 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -6.438 flat angles C4'-P-C4' energy: -5.355 flat angles P-C4'-P energy: -4.602 tors. eta vs tors. theta energy: -2.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 342 Temperature: 0.900000 Total energy: -40.457784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.457784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.457784 (E_RNA) where: Base-Base interactions energy: -16.322 where: short stacking energy: -16.322 Base-Backbone interact. energy: -0.006 local terms energy: -24.129651 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -4.828 flat angles P-C4'-P energy: -3.518 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: 2, replica: 2 ===================================== Write number: 342 Temperature: 0.950000 Total energy: -41.290868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.290868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.290868 (E_RNA) where: Base-Base interactions energy: -17.911 where: short stacking energy: -17.911 Base-Backbone interact. energy: -0.005 local terms energy: -23.374166 where: bonds (distance) C4'-P energy: -4.789 bonds (distance) P-C4' energy: -7.147 flat angles C4'-P-C4' energy: -4.855 flat angles P-C4'-P energy: -2.473 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: 1 ===================================== Write number: 342 Temperature: 1.000000 Total energy: -40.046678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.046678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.046678 (E_RNA) where: Base-Base interactions energy: -17.213 where: short stacking energy: -17.213 Base-Backbone interact. energy: -0.001 local terms energy: -22.832435 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -6.889 flat angles C4'-P-C4' energy: -4.668 flat angles P-C4'-P energy: -2.948 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: 4, replica: 10 ===================================== Write number: 342 Temperature: 1.050000 Total energy: -36.856837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.856837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.856837 (E_RNA) where: Base-Base interactions energy: -12.341 where: short stacking energy: -12.341 Base-Backbone interact. energy: -0.076 local terms energy: -24.440642 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -5.743 flat angles P-C4'-P energy: -5.043 tors. eta vs tors. theta energy: -0.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 342 Temperature: 1.100000 Total energy: -31.607787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.607787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.607787 (E_RNA) where: Base-Base interactions energy: -12.254 where: short stacking energy: -12.254 Base-Backbone interact. energy: -0.002 local terms energy: -19.352029 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -5.274 flat angles P-C4'-P energy: -3.135 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: 6, replica: 4 ===================================== Write number: 342 Temperature: 1.150000 Total energy: -34.468363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.468363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.468363 (E_RNA) where: Base-Base interactions energy: -13.703 where: short stacking energy: -13.703 Base-Backbone interact. energy: -0.000 local terms energy: -20.765289 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -5.678 flat angles C4'-P-C4' energy: -5.463 flat angles P-C4'-P energy: -2.530 tors. eta vs tors. theta energy: -2.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 342 Temperature: 1.200000 Total energy: -35.036706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.036706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.036706 (E_RNA) where: Base-Base interactions energy: -12.567 where: short stacking energy: -12.567 Base-Backbone interact. energy: -0.001 local terms energy: -22.468928 where: bonds (distance) C4'-P energy: -4.242 bonds (distance) P-C4' energy: -5.057 flat angles C4'-P-C4' energy: -5.691 flat angles P-C4'-P energy: -3.428 tors. eta vs tors. theta energy: -4.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 342 Temperature: 1.250000 Total energy: -32.616804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.616804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.616804 (E_RNA) where: Base-Base interactions energy: -12.259 where: short stacking energy: -12.091 Base-Backbone interact. energy: -0.008 local terms energy: -20.349960 where: bonds (distance) C4'-P energy: -3.113 bonds (distance) P-C4' energy: -5.089 flat angles C4'-P-C4' energy: -6.011 flat angles P-C4'-P energy: -2.767 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: 9, replica: 9 ===================================== Write number: 342 Temperature: 1.300000 Total energy: -29.520311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.520311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.520311 (E_RNA) where: Base-Base interactions energy: -10.536 where: short stacking energy: -10.536 Base-Backbone interact. energy: -0.006 local terms energy: -18.978128 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -5.597 flat angles C4'-P-C4' energy: -4.243 flat angles P-C4'-P energy: -2.982 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: 8 ===================================== Write number: 342 Temperature: 1.350000 Total energy: -28.606040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.606040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.606040 (E_RNA) where: Base-Base interactions energy: -9.242 where: short stacking energy: -9.242 Base-Backbone interact. energy: -0.024 local terms energy: -19.340291 where: bonds (distance) C4'-P energy: -4.471 bonds (distance) P-C4' energy: -5.956 flat angles C4'-P-C4' energy: -4.463 flat angles P-C4'-P energy: -3.782 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: 1, replica: 6 ===================================== Write number: 343 Temperature: 0.900000 Total energy: -38.039588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.039588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.039588 (E_RNA) where: Base-Base interactions energy: -11.582 where: short stacking energy: -11.582 Base-Backbone interact. energy: -0.000 local terms energy: -26.457177 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -6.417 flat angles C4'-P-C4' energy: -5.342 flat angles P-C4'-P energy: -3.642 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: 1 ===================================== Write number: 343 Temperature: 0.950000 Total energy: -38.470192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.470192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.470192 (E_RNA) where: Base-Base interactions energy: -15.364 where: short stacking energy: -15.364 Base-Backbone interact. energy: -0.004 local terms energy: -23.101833 where: bonds (distance) C4'-P energy: -4.578 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -4.814 flat angles P-C4'-P energy: -4.275 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: 3, replica: 2 ===================================== Write number: 343 Temperature: 1.000000 Total energy: -39.078870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.078870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.078870 (E_RNA) where: Base-Base interactions energy: -13.858 where: short stacking energy: -13.858 Base-Backbone interact. energy: -0.001 local terms energy: -25.220216 where: bonds (distance) C4'-P energy: -3.386 bonds (distance) P-C4' energy: -6.125 flat angles C4'-P-C4' energy: -5.553 flat angles P-C4'-P energy: -5.146 tors. eta vs tors. theta energy: -5.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 343 Temperature: 1.050000 Total energy: -33.530917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.530917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.530917 (E_RNA) where: Base-Base interactions energy: -12.657 where: short stacking energy: -12.657 Base-Backbone interact. energy: -0.009 local terms energy: -20.865212 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -3.935 flat angles P-C4'-P energy: -3.484 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: 5, replica: 10 ===================================== Write number: 343 Temperature: 1.100000 Total energy: -36.885620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.885620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.885620 (E_RNA) where: Base-Base interactions energy: -13.367 where: short stacking energy: -13.367 Base-Backbone interact. energy: -0.043 local terms energy: -23.475884 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -4.055 flat angles P-C4'-P energy: -3.388 tors. eta vs tors. theta energy: -3.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 343 Temperature: 1.150000 Total energy: -33.284127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.284127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.284127 (E_RNA) where: Base-Base interactions energy: -10.594 where: short stacking energy: -10.780 Base-Backbone interact. energy: -0.000 local terms energy: -22.690064 where: bonds (distance) C4'-P energy: -3.833 bonds (distance) P-C4' energy: -4.988 flat angles C4'-P-C4' energy: -5.973 flat angles P-C4'-P energy: -3.829 tors. eta vs tors. theta energy: -4.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 343 Temperature: 1.200000 Total energy: -31.587924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.587924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.587924 (E_RNA) where: Base-Base interactions energy: -10.677 where: short stacking energy: -10.677 Base-Backbone interact. energy: -0.002 local terms energy: -20.908934 where: bonds (distance) C4'-P energy: -4.789 bonds (distance) P-C4' energy: -5.339 flat angles C4'-P-C4' energy: -4.965 flat angles P-C4'-P energy: -4.410 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: 8, replica: 9 ===================================== Write number: 343 Temperature: 1.250000 Total energy: -26.584550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.584550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.584550 (E_RNA) where: Base-Base interactions energy: -4.889 where: short stacking energy: -4.889 Base-Backbone interact. energy: -0.095 local terms energy: -21.600630 where: bonds (distance) C4'-P energy: -5.589 bonds (distance) P-C4' energy: -7.144 flat angles C4'-P-C4' energy: -5.653 flat angles P-C4'-P energy: -3.786 tors. eta vs tors. theta energy: 0.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 343 Temperature: 1.300000 Total energy: -31.004388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.004388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.004388 (E_RNA) where: Base-Base interactions energy: -9.531 where: short stacking energy: -9.531 Base-Backbone interact. energy: -0.009 local terms energy: -21.463801 where: bonds (distance) C4'-P energy: -4.354 bonds (distance) P-C4' energy: -5.723 flat angles C4'-P-C4' energy: -6.378 flat angles P-C4'-P energy: -4.298 tors. eta vs tors. theta energy: -0.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 343 Temperature: 1.350000 Total energy: -29.946248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.946248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.946248 (E_RNA) where: Base-Base interactions energy: -7.339 where: short stacking energy: -7.339 Base-Backbone interact. energy: -0.061 local terms energy: -22.546323 where: bonds (distance) C4'-P energy: -5.572 bonds (distance) P-C4' energy: -6.615 flat angles C4'-P-C4' energy: -4.375 flat angles P-C4'-P energy: -5.438 tors. eta vs tors. theta energy: -0.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 344 Temperature: 0.900000 Total energy: -39.806381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.806381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.806381 (E_RNA) where: Base-Base interactions energy: -13.081 where: short stacking energy: -13.081 Base-Backbone interact. energy: -0.000 local terms energy: -26.724908 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -5.864 flat angles C4'-P-C4' energy: -6.169 flat angles P-C4'-P energy: -4.423 tors. eta vs tors. theta energy: -4.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 344 Temperature: 0.950000 Total energy: -41.349730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.349730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.349730 (E_RNA) where: Base-Base interactions energy: -17.405 where: short stacking energy: -17.405 Base-Backbone interact. energy: -0.000 local terms energy: -23.944532 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -4.766 flat angles P-C4'-P energy: -4.148 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: 3, replica: 7 ===================================== Write number: 344 Temperature: 1.000000 Total energy: -38.081410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.081410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.081410 (E_RNA) where: Base-Base interactions energy: -18.019 where: short stacking energy: -18.019 Base-Backbone interact. energy: -0.003 local terms energy: -20.059591 where: bonds (distance) C4'-P energy: -1.257 bonds (distance) P-C4' energy: -6.361 flat angles C4'-P-C4' energy: -6.277 flat angles P-C4'-P energy: -3.677 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: 4, replica: 2 ===================================== Write number: 344 Temperature: 1.050000 Total energy: -39.234501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.234501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.234501 (E_RNA) where: Base-Base interactions energy: -13.942 where: short stacking energy: -13.942 Base-Backbone interact. energy: -0.031 local terms energy: -25.260880 where: bonds (distance) C4'-P energy: -5.365 bonds (distance) P-C4' energy: -5.530 flat angles C4'-P-C4' energy: -5.905 flat angles P-C4'-P energy: -4.850 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: 5, replica: 10 ===================================== Write number: 344 Temperature: 1.100000 Total energy: -34.086887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.086887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.086887 (E_RNA) where: Base-Base interactions energy: -9.191 where: short stacking energy: -9.191 Base-Backbone interact. energy: -0.011 local terms energy: -24.884702 where: bonds (distance) C4'-P energy: -5.047 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -6.366 flat angles P-C4'-P energy: -3.913 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: 6, replica: 3 ===================================== Write number: 344 Temperature: 1.150000 Total energy: -31.144397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.144397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.144397 (E_RNA) where: Base-Base interactions energy: -11.860 where: short stacking energy: -11.860 Base-Backbone interact. energy: -0.034 local terms energy: -19.250689 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -5.896 flat angles C4'-P-C4' energy: -4.336 flat angles P-C4'-P energy: -2.220 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: 7, replica: 9 ===================================== Write number: 344 Temperature: 1.200000 Total energy: -31.905691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.905691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.905691 (E_RNA) where: Base-Base interactions energy: -12.187 where: short stacking energy: -12.187 Base-Backbone interact. energy: -0.000 local terms energy: -19.718841 where: bonds (distance) C4'-P energy: -3.609 bonds (distance) P-C4' energy: -5.597 flat angles C4'-P-C4' energy: -3.831 flat angles P-C4'-P energy: -1.540 tors. eta vs tors. theta energy: -5.141 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: 4 ===================================== Write number: 344 Temperature: 1.250000 Total energy: -33.494650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.494650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.494650 (E_RNA) where: Base-Base interactions energy: -13.750 where: short stacking energy: -13.750 Base-Backbone interact. energy: -0.021 local terms energy: -19.723796 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -4.405 flat angles C4'-P-C4' energy: -3.333 flat angles P-C4'-P energy: -3.324 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: 8 ===================================== Write number: 344 Temperature: 1.300000 Total energy: -32.845931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.845931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.845931 (E_RNA) where: Base-Base interactions energy: -9.493 where: short stacking energy: -10.193 Base-Backbone interact. energy: -0.000 local terms energy: -23.352687 where: bonds (distance) C4'-P energy: -5.484 bonds (distance) P-C4' energy: -5.343 flat angles C4'-P-C4' energy: -5.626 flat angles P-C4'-P energy: -3.491 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: 10, replica: 5 ===================================== Write number: 344 Temperature: 1.350000 Total energy: -26.645307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.645307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.645307 (E_RNA) where: Base-Base interactions energy: -9.752 where: short stacking energy: -9.752 Base-Backbone interact. energy: -0.000 local terms energy: -16.892698 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -2.328 flat angles C4'-P-C4' energy: -4.647 flat angles P-C4'-P energy: -2.756 tors. eta vs tors. theta energy: -0.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 345 Temperature: 0.900000 Total energy: -33.154386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.154386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.154386 (E_RNA) where: Base-Base interactions energy: -10.690 where: short stacking energy: -10.690 Base-Backbone interact. energy: -0.001 local terms energy: -22.463979 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -5.876 flat angles P-C4'-P energy: -3.568 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: 2, replica: 7 ===================================== Write number: 345 Temperature: 0.950000 Total energy: -37.968103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.968103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.968103 (E_RNA) where: Base-Base interactions energy: -15.913 where: short stacking energy: -15.913 Base-Backbone interact. energy: -0.001 local terms energy: -22.054316 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -6.407 flat angles C4'-P-C4' energy: -4.210 flat angles P-C4'-P energy: -3.881 tors. eta vs tors. theta energy: -2.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 345 Temperature: 1.000000 Total energy: -38.510424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.510424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.510424 (E_RNA) where: Base-Base interactions energy: -13.902 where: short stacking energy: -13.902 Base-Backbone interact. energy: -0.000 local terms energy: -24.608445 where: bonds (distance) C4'-P energy: -5.252 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -5.294 flat angles P-C4'-P energy: -4.889 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: 4, replica: 10 ===================================== Write number: 345 Temperature: 1.050000 Total energy: -41.104218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.104218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.104218 (E_RNA) where: Base-Base interactions energy: -16.411 where: short stacking energy: -16.411 Base-Backbone interact. energy: -0.000 local terms energy: -24.693524 where: bonds (distance) C4'-P energy: -5.882 bonds (distance) P-C4' energy: -5.600 flat angles C4'-P-C4' energy: -4.308 flat angles P-C4'-P energy: -4.138 tors. eta vs tors. theta energy: -4.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 345 Temperature: 1.100000 Total energy: -30.952610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.952610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.952610 (E_RNA) where: Base-Base interactions energy: -10.040 where: short stacking energy: -10.040 Base-Backbone interact. energy: -0.002 local terms energy: -20.911114 where: bonds (distance) C4'-P energy: -4.611 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -5.411 flat angles P-C4'-P energy: -3.456 tors. eta vs tors. theta energy: -1.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 345 Temperature: 1.150000 Total energy: -37.598477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.598477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.598477 (E_RNA) where: Base-Base interactions energy: -14.400 where: short stacking energy: -14.400 Base-Backbone interact. energy: 0.348 local terms energy: -23.545842 where: bonds (distance) C4'-P energy: -2.930 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -6.076 flat angles P-C4'-P energy: -4.085 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: 7, replica: 3 ===================================== Write number: 345 Temperature: 1.200000 Total energy: -34.084031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.084031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.084031 (E_RNA) where: Base-Base interactions energy: -12.972 where: short stacking energy: -12.972 Base-Backbone interact. energy: -0.102 local terms energy: -21.009906 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -5.202 flat angles P-C4'-P energy: -2.057 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: 8, replica: 8 ===================================== Write number: 345 Temperature: 1.250000 Total energy: -33.691344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.691344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.691344 (E_RNA) where: Base-Base interactions energy: -8.916 where: short stacking energy: -8.916 Base-Backbone interact. energy: -0.001 local terms energy: -24.774537 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -5.042 flat angles P-C4'-P energy: -4.782 tors. eta vs tors. theta energy: -1.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 345 Temperature: 1.300000 Total energy: -27.923510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.923510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.923510 (E_RNA) where: Base-Base interactions energy: -5.926 where: short stacking energy: -5.978 Base-Backbone interact. energy: -0.181 local terms energy: -21.817008 where: bonds (distance) C4'-P energy: -4.611 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -5.788 flat angles P-C4'-P energy: -3.793 tors. eta vs tors. theta energy: -1.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 345 Temperature: 1.350000 Total energy: -26.156505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.156505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.156505 (E_RNA) where: Base-Base interactions energy: -4.839 where: short stacking energy: -4.839 Base-Backbone interact. energy: -0.010 local terms energy: -21.307392 where: bonds (distance) C4'-P energy: -5.287 bonds (distance) P-C4' energy: -7.144 flat angles C4'-P-C4' energy: -5.658 flat angles P-C4'-P energy: -2.914 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: 6 ===================================== Write number: 346 Temperature: 0.900000 Total energy: -39.265329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.265329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.265329 (E_RNA) where: Base-Base interactions energy: -14.814 where: short stacking energy: -14.814 Base-Backbone interact. energy: -0.001 local terms energy: -24.449791 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -6.199 flat angles C4'-P-C4' energy: -6.151 flat angles P-C4'-P energy: -5.029 tors. eta vs tors. theta energy: -1.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 346 Temperature: 0.950000 Total energy: -34.970335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.970335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.970335 (E_RNA) where: Base-Base interactions energy: -11.931 where: short stacking energy: -11.931 Base-Backbone interact. energy: -0.002 local terms energy: -23.036916 where: bonds (distance) C4'-P energy: -6.105 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -6.392 flat angles P-C4'-P energy: -2.960 tors. eta vs tors. theta energy: -1.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 346 Temperature: 1.000000 Total energy: -34.970406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.970406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.970406 (E_RNA) where: Base-Base interactions energy: -9.827 where: short stacking energy: -9.827 Base-Backbone interact. energy: -0.090 local terms energy: -25.053224 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -6.337 flat angles P-C4'-P energy: -4.102 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: 4, replica: 10 ===================================== Write number: 346 Temperature: 1.050000 Total energy: -37.282125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.282125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.282125 (E_RNA) where: Base-Base interactions energy: -17.288 where: short stacking energy: -17.288 Base-Backbone interact. energy: -0.006 local terms energy: -19.988150 where: bonds (distance) C4'-P energy: -4.727 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -4.749 flat angles P-C4'-P energy: -4.429 tors. eta vs tors. theta energy: -1.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 346 Temperature: 1.100000 Total energy: -36.261466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.261466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.261466 (E_RNA) where: Base-Base interactions energy: -9.508 where: short stacking energy: -9.508 Base-Backbone interact. energy: -0.000 local terms energy: -26.753721 where: bonds (distance) C4'-P energy: -5.137 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -5.629 flat angles P-C4'-P energy: -4.190 tors. eta vs tors. theta energy: -5.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 346 Temperature: 1.150000 Total energy: -35.147322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.147322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.147322 (E_RNA) where: Base-Base interactions energy: -9.010 where: short stacking energy: -9.010 Base-Backbone interact. energy: -0.000 local terms energy: -26.136912 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -5.113 flat angles P-C4'-P energy: -4.050 tors. eta vs tors. theta energy: -4.835 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: 8 ===================================== Write number: 346 Temperature: 1.200000 Total energy: -31.412532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.412532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.412532 (E_RNA) where: Base-Base interactions energy: -13.561 where: short stacking energy: -13.561 Base-Backbone interact. energy: -0.049 local terms energy: -17.801971 where: bonds (distance) C4'-P energy: -1.547 bonds (distance) P-C4' energy: -6.407 flat angles C4'-P-C4' energy: -5.055 flat angles P-C4'-P energy: -0.898 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: 8, replica: 3 ===================================== Write number: 346 Temperature: 1.250000 Total energy: -31.173972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.173972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.173972 (E_RNA) where: Base-Base interactions energy: -8.818 where: short stacking energy: -8.818 Base-Backbone interact. energy: -0.000 local terms energy: -22.356009 where: bonds (distance) C4'-P energy: -5.766 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -3.513 flat angles P-C4'-P energy: -3.556 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: 9, replica: 5 ===================================== Write number: 346 Temperature: 1.300000 Total energy: -32.384026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.384026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.384026 (E_RNA) where: Base-Base interactions energy: -9.526 where: short stacking energy: -9.526 Base-Backbone interact. energy: -0.000 local terms energy: -22.857910 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -4.798 flat angles P-C4'-P energy: -2.908 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: 10, replica: 4 ===================================== Write number: 346 Temperature: 1.350000 Total energy: -33.077037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.077037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.077037 (E_RNA) where: Base-Base interactions energy: -13.885 where: short stacking energy: -13.885 Base-Backbone interact. energy: -0.020 local terms energy: -19.171499 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -3.738 flat angles P-C4'-P energy: -1.756 tors. eta vs tors. theta energy: -1.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 347 Temperature: 0.900000 Total energy: -39.872117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.872117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.872117 (E_RNA) where: Base-Base interactions energy: -18.056 where: short stacking energy: -18.056 Base-Backbone interact. energy: -0.000 local terms energy: -21.815919 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -4.858 flat angles P-C4'-P energy: -1.304 tors. eta vs tors. theta energy: -3.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 347 Temperature: 0.950000 Total energy: -38.125191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.125191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.125191 (E_RNA) where: Base-Base interactions energy: -13.280 where: short stacking energy: -13.280 Base-Backbone interact. energy: -0.007 local terms energy: -24.838535 where: bonds (distance) C4'-P energy: -4.380 bonds (distance) P-C4' energy: -5.659 flat angles C4'-P-C4' energy: -5.882 flat angles P-C4'-P energy: -4.795 tors. eta vs tors. theta energy: -4.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 347 Temperature: 1.000000 Total energy: -41.113671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.113671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.113671 (E_RNA) where: Base-Base interactions energy: -16.872 where: short stacking energy: -16.872 Base-Backbone interact. energy: 0.121 local terms energy: -24.363096 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -5.043 flat angles C4'-P-C4' energy: -6.023 flat angles P-C4'-P energy: -4.510 tors. eta vs tors. theta energy: -2.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 347 Temperature: 1.050000 Total energy: -37.604983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.604983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.604983 (E_RNA) where: Base-Base interactions energy: -12.619 where: short stacking energy: -12.619 Base-Backbone interact. energy: -0.000 local terms energy: -24.985483 where: bonds (distance) C4'-P energy: -5.535 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -5.210 flat angles P-C4'-P energy: -4.325 tors. eta vs tors. theta energy: -3.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 347 Temperature: 1.100000 Total energy: -35.954338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.954338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.954338 (E_RNA) where: Base-Base interactions energy: -14.085 where: short stacking energy: -14.085 Base-Backbone interact. energy: -0.000 local terms energy: -21.869126 where: bonds (distance) C4'-P energy: -3.646 bonds (distance) P-C4' energy: -5.956 flat angles C4'-P-C4' energy: -4.591 flat angles P-C4'-P energy: -3.853 tors. eta vs tors. theta energy: -3.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 347 Temperature: 1.150000 Total energy: -36.208437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.208437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.208437 (E_RNA) where: Base-Base interactions energy: -13.818 where: short stacking energy: -13.818 Base-Backbone interact. energy: -0.030 local terms energy: -22.360753 where: bonds (distance) C4'-P energy: -5.252 bonds (distance) P-C4' energy: -4.628 flat angles C4'-P-C4' energy: -5.495 flat angles P-C4'-P energy: -3.595 tors. eta vs tors. theta energy: -3.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 347 Temperature: 1.200000 Total energy: -32.156689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.156689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.156689 (E_RNA) where: Base-Base interactions energy: -8.815 where: short stacking energy: -8.815 Base-Backbone interact. energy: -0.100 local terms energy: -23.242151 where: bonds (distance) C4'-P energy: -4.221 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -6.009 flat angles P-C4'-P energy: -3.700 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: 8, replica: 5 ===================================== Write number: 347 Temperature: 1.250000 Total energy: -33.734421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.734421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.734421 (E_RNA) where: Base-Base interactions energy: -11.491 where: short stacking energy: -11.491 Base-Backbone interact. energy: -2.390 local terms energy: -19.853458 where: bonds (distance) C4'-P energy: -5.721 bonds (distance) P-C4' energy: -5.833 flat angles C4'-P-C4' energy: -2.749 flat angles P-C4'-P energy: -4.093 tors. eta vs tors. theta energy: -1.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 347 Temperature: 1.300000 Total energy: -34.846142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.846142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.846142 (E_RNA) where: Base-Base interactions energy: -12.605 where: short stacking energy: -12.605 Base-Backbone interact. energy: -0.003 local terms energy: -22.238561 where: bonds (distance) C4'-P energy: -4.756 bonds (distance) P-C4' energy: -4.659 flat angles C4'-P-C4' energy: -5.604 flat angles P-C4'-P energy: -3.554 tors. eta vs tors. theta energy: -3.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 347 Temperature: 1.350000 Total energy: -29.285286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.285286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.285286 (E_RNA) where: Base-Base interactions energy: -2.889 where: short stacking energy: -2.889 Base-Backbone interact. energy: -0.000 local terms energy: -26.396423 where: bonds (distance) C4'-P energy: -5.659 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -6.239 flat angles P-C4'-P energy: -4.520 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: 1, replica: 6 ===================================== Write number: 348 Temperature: 0.900000 Total energy: -40.188087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.188087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.188087 (E_RNA) where: Base-Base interactions energy: -13.951 where: short stacking energy: -13.951 Base-Backbone interact. energy: -0.000 local terms energy: -26.236690 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -4.940 flat angles P-C4'-P energy: -3.746 tors. eta vs tors. theta energy: -5.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 348 Temperature: 0.950000 Total energy: -37.443584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.443584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.443584 (E_RNA) where: Base-Base interactions energy: -13.136 where: short stacking energy: -13.136 Base-Backbone interact. energy: -0.003 local terms energy: -24.304842 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -5.727 flat angles P-C4'-P energy: -4.254 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: 3, replica: 9 ===================================== Write number: 348 Temperature: 1.000000 Total energy: -40.676911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.676911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.676911 (E_RNA) where: Base-Base interactions energy: -14.561 where: short stacking energy: -14.561 Base-Backbone interact. energy: -0.000 local terms energy: -26.115687 where: bonds (distance) C4'-P energy: -6.006 bonds (distance) P-C4' energy: -5.702 flat angles C4'-P-C4' energy: -5.089 flat angles P-C4'-P energy: -4.395 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: 4, replica: 7 ===================================== Write number: 348 Temperature: 1.050000 Total energy: -36.365832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.365832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.365832 (E_RNA) where: Base-Base interactions energy: -12.665 where: short stacking energy: -12.665 Base-Backbone interact. energy: -0.000 local terms energy: -23.700721 where: bonds (distance) C4'-P energy: -3.796 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -4.882 flat angles P-C4'-P energy: -4.219 tors. eta vs tors. theta energy: -4.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 348 Temperature: 1.100000 Total energy: -33.539684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.539684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.539684 (E_RNA) where: Base-Base interactions energy: -11.837 where: short stacking energy: -11.837 Base-Backbone interact. energy: -0.002 local terms energy: -21.700456 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -5.298 flat angles C4'-P-C4' energy: -6.449 flat angles P-C4'-P energy: -2.401 tors. eta vs tors. theta energy: -2.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 348 Temperature: 1.150000 Total energy: -31.487365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.487365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.487365 (E_RNA) where: Base-Base interactions energy: -9.350 where: short stacking energy: -9.350 Base-Backbone interact. energy: -0.050 local terms energy: -22.087605 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -5.530 flat angles C4'-P-C4' energy: -4.853 flat angles P-C4'-P energy: -4.451 tors. eta vs tors. theta energy: -0.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 348 Temperature: 1.200000 Total energy: -31.407236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.407236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.407236 (E_RNA) where: Base-Base interactions energy: -11.047 where: short stacking energy: -11.047 Base-Backbone interact. energy: -0.005 local terms energy: -20.355115 where: bonds (distance) C4'-P energy: -4.288 bonds (distance) P-C4' energy: -3.460 flat angles C4'-P-C4' energy: -5.582 flat angles P-C4'-P energy: -4.831 tors. eta vs tors. theta energy: -2.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 348 Temperature: 1.250000 Total energy: -28.238177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.238177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.238177 (E_RNA) where: Base-Base interactions energy: -7.967 where: short stacking energy: -7.967 Base-Backbone interact. energy: -0.004 local terms energy: -20.267178 where: bonds (distance) C4'-P energy: -4.686 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -4.483 flat angles P-C4'-P energy: -4.042 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: 4 ===================================== Write number: 348 Temperature: 1.300000 Total energy: -32.591138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.591138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.591138 (E_RNA) where: Base-Base interactions energy: -10.366 where: short stacking energy: -10.366 Base-Backbone interact. energy: -0.221 local terms energy: -22.003769 where: bonds (distance) C4'-P energy: -4.967 bonds (distance) P-C4' energy: -6.174 flat angles C4'-P-C4' energy: -6.523 flat angles P-C4'-P energy: -2.845 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: 3 ===================================== Write number: 348 Temperature: 1.350000 Total energy: -37.203887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.203887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.203887 (E_RNA) where: Base-Base interactions energy: -12.290 where: short stacking energy: -12.290 Base-Backbone interact. energy: -0.000 local terms energy: -24.913876 where: bonds (distance) C4'-P energy: -5.837 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -4.328 flat angles P-C4'-P energy: -3.891 tors. eta vs tors. theta energy: -4.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 349 Temperature: 0.900000 Total energy: -38.877053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.877053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.877053 (E_RNA) where: Base-Base interactions energy: -13.691 where: short stacking energy: -13.691 Base-Backbone interact. energy: -0.009 local terms energy: -25.177267 where: bonds (distance) C4'-P energy: -4.434 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -5.234 flat angles P-C4'-P energy: -5.049 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: 9 ===================================== Write number: 349 Temperature: 0.950000 Total energy: -33.360454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.360454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.360454 (E_RNA) where: Base-Base interactions energy: -13.419 where: short stacking energy: -13.419 Base-Backbone interact. energy: -0.012 local terms energy: -19.929444 where: bonds (distance) C4'-P energy: -3.262 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -4.360 flat angles P-C4'-P energy: -2.774 tors. eta vs tors. theta energy: -3.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 349 Temperature: 1.000000 Total energy: -39.649278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.649278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.649278 (E_RNA) where: Base-Base interactions energy: -17.285 where: short stacking energy: -17.285 Base-Backbone interact. energy: 0.752 local terms energy: -23.115997 where: bonds (distance) C4'-P energy: -3.957 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -6.264 flat angles P-C4'-P energy: -3.800 tors. eta vs tors. theta energy: -2.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 349 Temperature: 1.050000 Total energy: -36.565776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.565776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.565776 (E_RNA) where: Base-Base interactions energy: -14.865 where: short stacking energy: -14.865 Base-Backbone interact. energy: -0.086 local terms energy: -21.614768 where: bonds (distance) C4'-P energy: -4.988 bonds (distance) P-C4' energy: -5.730 flat angles C4'-P-C4' energy: -4.435 flat angles P-C4'-P energy: -3.423 tors. eta vs tors. theta energy: -3.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 349 Temperature: 1.100000 Total energy: -35.539966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.539966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.539966 (E_RNA) where: Base-Base interactions energy: -10.536 where: short stacking energy: -10.536 Base-Backbone interact. energy: -0.637 local terms energy: -24.366402 where: bonds (distance) C4'-P energy: -6.246 bonds (distance) P-C4' energy: -5.886 flat angles C4'-P-C4' energy: -4.742 flat angles P-C4'-P energy: -3.412 tors. eta vs tors. theta energy: -4.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 349 Temperature: 1.150000 Total energy: -31.227853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.227853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.227853 (E_RNA) where: Base-Base interactions energy: -7.143 where: short stacking energy: -7.227 Base-Backbone interact. energy: -0.023 local terms energy: -24.061469 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -6.675 flat angles P-C4'-P energy: -4.877 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: 7, replica: 10 ===================================== Write number: 349 Temperature: 1.200000 Total energy: -32.643512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.643512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.643512 (E_RNA) where: Base-Base interactions energy: -14.209 where: short stacking energy: -14.209 Base-Backbone interact. energy: -0.000 local terms energy: -18.434059 where: bonds (distance) C4'-P energy: -3.502 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -5.674 flat angles P-C4'-P energy: 0.216 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: 8, replica: 4 ===================================== Write number: 349 Temperature: 1.250000 Total energy: -32.587479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.587479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.587479 (E_RNA) where: Base-Base interactions energy: -12.502 where: short stacking energy: -12.502 Base-Backbone interact. energy: -0.015 local terms energy: -20.070145 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -5.702 flat angles C4'-P-C4' energy: -4.419 flat angles P-C4'-P energy: -2.886 tors. eta vs tors. theta energy: -0.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 349 Temperature: 1.300000 Total energy: -30.515739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.515739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.515739 (E_RNA) where: Base-Base interactions energy: -10.865 where: short stacking energy: -10.865 Base-Backbone interact. energy: -0.034 local terms energy: -19.616028 where: bonds (distance) C4'-P energy: -3.866 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -3.330 flat angles P-C4'-P energy: -5.309 tors. eta vs tors. theta energy: -0.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 349 Temperature: 1.350000 Total energy: -29.462903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.462903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.462903 (E_RNA) where: Base-Base interactions energy: -5.793 where: short stacking energy: -5.793 Base-Backbone interact. energy: -0.000 local terms energy: -23.669646 where: bonds (distance) C4'-P energy: -4.615 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.315 flat angles P-C4'-P energy: -4.595 tors. eta vs tors. theta energy: -2.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 350 Temperature: 0.900000 Total energy: -37.612957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.612957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.612957 (E_RNA) where: Base-Base interactions energy: -14.995 where: short stacking energy: -14.995 Base-Backbone interact. energy: -0.005 local terms energy: -22.613364 where: bonds (distance) C4'-P energy: -5.137 bonds (distance) P-C4' energy: -5.826 flat angles C4'-P-C4' energy: -6.259 flat angles P-C4'-P energy: -4.816 tors. eta vs tors. theta energy: -0.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 350 Temperature: 0.950000 Total energy: -41.427811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.427811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.427811 (E_RNA) where: Base-Base interactions energy: -13.991 where: short stacking energy: -13.991 Base-Backbone interact. energy: -0.000 local terms energy: -27.436479 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -5.688 flat angles P-C4'-P energy: -4.347 tors. eta vs tors. theta energy: -5.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 350 Temperature: 1.000000 Total energy: -36.866971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.866971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.866971 (E_RNA) where: Base-Base interactions energy: -8.919 where: short stacking energy: -8.919 Base-Backbone interact. energy: -0.000 local terms energy: -27.948431 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -4.991 flat angles P-C4'-P energy: -4.743 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: 4, replica: 1 ===================================== Write number: 350 Temperature: 1.050000 Total energy: -31.418671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.418671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.418671 (E_RNA) where: Base-Base interactions energy: -10.942 where: short stacking energy: -10.942 Base-Backbone interact. energy: -0.000 local terms energy: -20.476920 where: bonds (distance) C4'-P energy: -3.510 bonds (distance) P-C4' energy: -5.837 flat angles C4'-P-C4' energy: -4.560 flat angles P-C4'-P energy: -3.866 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: 5, replica: 5 ===================================== Write number: 350 Temperature: 1.100000 Total energy: -35.657567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.657567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.657567 (E_RNA) where: Base-Base interactions energy: -14.295 where: short stacking energy: -14.295 Base-Backbone interact. energy: -0.012 local terms energy: -21.350402 where: bonds (distance) C4'-P energy: -4.639 bonds (distance) P-C4' energy: -4.416 flat angles C4'-P-C4' energy: -5.787 flat angles P-C4'-P energy: -2.787 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: 6, replica: 8 ===================================== Write number: 350 Temperature: 1.150000 Total energy: -34.750926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.750926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.750926 (E_RNA) where: Base-Base interactions energy: -13.028 where: short stacking energy: -13.028 Base-Backbone interact. energy: -0.034 local terms energy: -21.688998 where: bonds (distance) C4'-P energy: -5.484 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -2.480 flat angles P-C4'-P energy: -5.087 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: 7, replica: 4 ===================================== Write number: 350 Temperature: 1.200000 Total energy: -27.825936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.825936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.825936 (E_RNA) where: Base-Base interactions energy: -9.322 where: short stacking energy: -7.112 Base-Backbone interact. energy: -0.116 local terms energy: -18.388494 where: bonds (distance) C4'-P energy: -2.686 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -4.881 flat angles P-C4'-P energy: -4.727 tors. eta vs tors. theta energy: 0.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 350 Temperature: 1.250000 Total energy: -31.015581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.015581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.015581 (E_RNA) where: Base-Base interactions energy: -9.970 where: short stacking energy: -9.970 Base-Backbone interact. energy: -0.001 local terms energy: -21.044084 where: bonds (distance) C4'-P energy: -4.035 bonds (distance) P-C4' energy: -6.153 flat angles C4'-P-C4' energy: -4.675 flat angles P-C4'-P energy: -2.706 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: 9, replica: 3 ===================================== Write number: 350 Temperature: 1.300000 Total energy: -29.028638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.028638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.028638 (E_RNA) where: Base-Base interactions energy: -8.848 where: short stacking energy: -8.848 Base-Backbone interact. energy: -0.018 local terms energy: -20.162774 where: bonds (distance) C4'-P energy: -4.107 bonds (distance) P-C4' energy: -4.560 flat angles C4'-P-C4' energy: -6.188 flat angles P-C4'-P energy: -2.538 tors. eta vs tors. theta energy: -2.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 350 Temperature: 1.350000 Total energy: -32.125945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.125945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.125945 (E_RNA) where: Base-Base interactions energy: -7.698 where: short stacking energy: -7.698 Base-Backbone interact. energy: -0.002 local terms energy: -24.425788 where: bonds (distance) C4'-P energy: -6.014 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -4.885 flat angles P-C4'-P energy: -2.351 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: 1, replica: 6 ===================================== Write number: 351 Temperature: 0.900000 Total energy: -38.350903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.350903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.350903 (E_RNA) where: Base-Base interactions energy: -11.922 where: short stacking energy: -11.922 Base-Backbone interact. energy: -0.070 local terms energy: -26.358500 where: bonds (distance) C4'-P energy: -5.277 bonds (distance) P-C4' energy: -6.625 flat angles C4'-P-C4' energy: -5.923 flat angles P-C4'-P energy: -4.346 tors. eta vs tors. theta energy: -4.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 351 Temperature: 0.950000 Total energy: -41.413606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.413606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.413606 (E_RNA) where: Base-Base interactions energy: -16.573 where: short stacking energy: -16.573 Base-Backbone interact. energy: -0.002 local terms energy: -24.839128 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -6.464 flat angles C4'-P-C4' energy: -6.386 flat angles P-C4'-P energy: -1.348 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: 3, replica: 7 ===================================== Write number: 351 Temperature: 1.000000 Total energy: -39.021744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.021744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.021744 (E_RNA) where: Base-Base interactions energy: -16.722 where: short stacking energy: -16.722 Base-Backbone interact. energy: -0.031 local terms energy: -22.268219 where: bonds (distance) C4'-P energy: -6.105 bonds (distance) P-C4' energy: -4.445 flat angles C4'-P-C4' energy: -4.757 flat angles P-C4'-P energy: -4.717 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: 4, replica: 5 ===================================== Write number: 351 Temperature: 1.050000 Total energy: -35.555221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.555221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.555221 (E_RNA) where: Base-Base interactions energy: -13.466 where: short stacking energy: -13.466 Base-Backbone interact. energy: -0.000 local terms energy: -22.089456 where: bonds (distance) C4'-P energy: -5.091 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -3.616 flat angles P-C4'-P energy: -0.420 tors. eta vs tors. theta energy: -6.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 351 Temperature: 1.100000 Total energy: -36.212083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.212083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.212083 (E_RNA) where: Base-Base interactions energy: -12.757 where: short stacking energy: -12.757 Base-Backbone interact. energy: -0.000 local terms energy: -23.454868 where: bonds (distance) C4'-P energy: -5.766 bonds (distance) P-C4' energy: -5.184 flat angles C4'-P-C4' energy: -4.584 flat angles P-C4'-P energy: -3.692 tors. eta vs tors. theta energy: -4.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 351 Temperature: 1.150000 Total energy: -37.441919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.441919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.441919 (E_RNA) where: Base-Base interactions energy: -13.142 where: short stacking energy: -13.142 Base-Backbone interact. energy: -0.009 local terms energy: -24.290268 where: bonds (distance) C4'-P energy: -5.501 bonds (distance) P-C4' energy: -6.417 flat angles C4'-P-C4' energy: -5.026 flat angles P-C4'-P energy: -3.648 tors. eta vs tors. theta energy: -3.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 351 Temperature: 1.200000 Total energy: -31.242896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.242896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.242896 (E_RNA) where: Base-Base interactions energy: -7.877 where: short stacking energy: -7.877 Base-Backbone interact. energy: 0.357 local terms energy: -23.722430 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.873 flat angles C4'-P-C4' energy: -6.446 flat angles P-C4'-P energy: -3.626 tors. eta vs tors. theta energy: -0.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 351 Temperature: 1.250000 Total energy: -30.862358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.862358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.862358 (E_RNA) where: Base-Base interactions energy: -12.761 where: short stacking energy: -12.761 Base-Backbone interact. energy: -0.043 local terms energy: -18.058403 where: bonds (distance) C4'-P energy: -5.435 bonds (distance) P-C4' energy: -3.060 flat angles C4'-P-C4' energy: -6.405 flat angles P-C4'-P energy: -2.285 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: 9, replica: 10 ===================================== Write number: 351 Temperature: 1.300000 Total energy: -31.435968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.435968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.435968 (E_RNA) where: Base-Base interactions energy: -9.394 where: short stacking energy: -9.394 Base-Backbone interact. energy: -0.000 local terms energy: -22.042102 where: bonds (distance) C4'-P energy: -5.580 bonds (distance) P-C4' energy: -6.873 flat angles C4'-P-C4' energy: -3.658 flat angles P-C4'-P energy: -3.940 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: 10, replica: 2 ===================================== Write number: 351 Temperature: 1.350000 Total energy: -30.393730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.393730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.393730 (E_RNA) where: Base-Base interactions energy: -8.838 where: short stacking energy: -8.838 Base-Backbone interact. energy: -0.001 local terms energy: -21.554783 where: bonds (distance) C4'-P energy: -4.504 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -5.423 flat angles P-C4'-P energy: -4.456 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: 9 ===================================== Write number: 352 Temperature: 0.900000 Total energy: -43.077087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.077087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.077087 (E_RNA) where: Base-Base interactions energy: -16.163 where: short stacking energy: -16.163 Base-Backbone interact. energy: -0.000 local terms energy: -26.914279 where: bonds (distance) C4'-P energy: -4.231 bonds (distance) P-C4' energy: -5.685 flat angles C4'-P-C4' energy: -6.311 flat angles P-C4'-P energy: -5.159 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: 2, replica: 6 ===================================== Write number: 352 Temperature: 0.950000 Total energy: -41.411797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.411797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.411797 (E_RNA) where: Base-Base interactions energy: -16.387 where: short stacking energy: -16.387 Base-Backbone interact. energy: -0.045 local terms energy: -24.979939 where: bonds (distance) C4'-P energy: -4.453 bonds (distance) P-C4' energy: -5.833 flat angles C4'-P-C4' energy: -5.854 flat angles P-C4'-P energy: -4.101 tors. eta vs tors. theta energy: -4.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 352 Temperature: 1.000000 Total energy: -34.566941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.566941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.566941 (E_RNA) where: Base-Base interactions energy: -10.009 where: short stacking energy: -10.009 Base-Backbone interact. energy: -0.006 local terms energy: -24.552247 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -5.897 flat angles P-C4'-P energy: -4.643 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: 4, replica: 5 ===================================== Write number: 352 Temperature: 1.050000 Total energy: -35.371634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.371634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.371634 (E_RNA) where: Base-Base interactions energy: -11.279 where: short stacking energy: -11.279 Base-Backbone interact. energy: -0.022 local terms energy: -24.071336 where: bonds (distance) C4'-P energy: -6.160 bonds (distance) P-C4' energy: -6.622 flat angles C4'-P-C4' energy: -5.481 flat angles P-C4'-P energy: -3.226 tors. eta vs tors. theta energy: -2.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 352 Temperature: 1.100000 Total energy: -35.748545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.748545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.748545 (E_RNA) where: Base-Base interactions energy: -10.271 where: short stacking energy: -10.271 Base-Backbone interact. energy: -0.008 local terms energy: -25.470353 where: bonds (distance) C4'-P energy: -6.453 bonds (distance) P-C4' energy: -6.417 flat angles C4'-P-C4' energy: -5.413 flat angles P-C4'-P energy: -4.756 tors. eta vs tors. theta energy: -2.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 352 Temperature: 1.150000 Total energy: -31.479327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.479327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.479327 (E_RNA) where: Base-Base interactions energy: -11.310 where: short stacking energy: -11.310 Base-Backbone interact. energy: -0.102 local terms energy: -20.067263 where: bonds (distance) C4'-P energy: -5.456 bonds (distance) P-C4' energy: -5.945 flat angles C4'-P-C4' energy: -5.363 flat angles P-C4'-P energy: -1.301 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: 7, replica: 3 ===================================== Write number: 352 Temperature: 1.200000 Total energy: -42.117894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.117894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.117894 (E_RNA) where: Base-Base interactions energy: -16.198 where: short stacking energy: -16.198 Base-Backbone interact. energy: -0.000 local terms energy: -25.919244 where: bonds (distance) C4'-P energy: -5.287 bonds (distance) P-C4' energy: -6.199 flat angles C4'-P-C4' energy: -5.748 flat angles P-C4'-P energy: -2.668 tors. eta vs tors. theta energy: -6.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 352 Temperature: 1.250000 Total energy: -29.303570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.303570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.303570 (E_RNA) where: Base-Base interactions energy: -7.788 where: short stacking energy: -7.788 Base-Backbone interact. energy: -0.027 local terms energy: -21.488150 where: bonds (distance) C4'-P energy: -4.967 bonds (distance) P-C4' energy: -5.438 flat angles C4'-P-C4' energy: -5.295 flat angles P-C4'-P energy: -4.021 tors. eta vs tors. theta energy: -1.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 352 Temperature: 1.300000 Total energy: -29.263723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.263723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.263723 (E_RNA) where: Base-Base interactions energy: -9.305 where: short stacking energy: -9.305 Base-Backbone interact. energy: -0.000 local terms energy: -19.958005 where: bonds (distance) C4'-P energy: -4.797 bonds (distance) P-C4' energy: -3.923 flat angles C4'-P-C4' energy: -6.376 flat angles P-C4'-P energy: -4.112 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: 10, replica: 10 ===================================== Write number: 352 Temperature: 1.350000 Total energy: -28.120546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.120546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.120546 (E_RNA) where: Base-Base interactions energy: -5.818 where: short stacking energy: -5.818 Base-Backbone interact. energy: -0.010 local terms energy: -22.292954 where: bonds (distance) C4'-P energy: -5.163 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -5.249 flat angles P-C4'-P energy: -3.399 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: 1, replica: 9 ===================================== Write number: 353 Temperature: 0.900000 Total energy: -42.591501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.591501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.591501 (E_RNA) where: Base-Base interactions energy: -17.871 where: short stacking energy: -17.871 Base-Backbone interact. energy: -0.000 local terms energy: -24.719756 where: bonds (distance) C4'-P energy: -4.864 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.709 flat angles P-C4'-P energy: -3.072 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: 7 ===================================== Write number: 353 Temperature: 0.950000 Total energy: -38.774504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.774504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.774504 (E_RNA) where: Base-Base interactions energy: -12.476 where: short stacking energy: -12.476 Base-Backbone interact. energy: -0.000 local terms energy: -26.298213 where: bonds (distance) C4'-P energy: -5.427 bonds (distance) P-C4' energy: -6.231 flat angles C4'-P-C4' energy: -4.631 flat angles P-C4'-P energy: -5.246 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: 3, replica: 6 ===================================== Write number: 353 Temperature: 1.000000 Total energy: -36.929242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.929242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.929242 (E_RNA) where: Base-Base interactions energy: -12.081 where: short stacking energy: -12.081 Base-Backbone interact. energy: -0.000 local terms energy: -24.848462 where: bonds (distance) C4'-P energy: -5.261 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -5.502 flat angles P-C4'-P energy: -5.405 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: 4 ===================================== Write number: 353 Temperature: 1.050000 Total energy: -36.055419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.055419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.055419 (E_RNA) where: Base-Base interactions energy: -13.762 where: short stacking energy: -13.762 Base-Backbone interact. energy: -0.081 local terms energy: -22.211764 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.118 flat angles C4'-P-C4' energy: -3.514 flat angles P-C4'-P energy: -2.649 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: 5, replica: 5 ===================================== Write number: 353 Temperature: 1.100000 Total energy: -35.447089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.447089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.447089 (E_RNA) where: Base-Base interactions energy: -9.855 where: short stacking energy: -9.855 Base-Backbone interact. energy: -0.005 local terms energy: -25.586963 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -3.974 flat angles P-C4'-P energy: -3.700 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: 6, replica: 3 ===================================== Write number: 353 Temperature: 1.150000 Total energy: -38.286118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.286118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.286118 (E_RNA) where: Base-Base interactions energy: -13.307 where: short stacking energy: -13.307 Base-Backbone interact. energy: -0.000 local terms energy: -24.978626 where: bonds (distance) C4'-P energy: -4.781 bonds (distance) P-C4' energy: -5.534 flat angles C4'-P-C4' energy: -4.871 flat angles P-C4'-P energy: -4.445 tors. eta vs tors. theta energy: -5.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 353 Temperature: 1.200000 Total energy: -32.810113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.810113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.810113 (E_RNA) where: Base-Base interactions energy: -9.951 where: short stacking energy: -9.951 Base-Backbone interact. energy: -0.072 local terms energy: -22.786932 where: bonds (distance) C4'-P energy: -5.750 bonds (distance) P-C4' energy: -4.624 flat angles C4'-P-C4' energy: -6.192 flat angles P-C4'-P energy: -3.418 tors. eta vs tors. theta energy: -2.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 353 Temperature: 1.250000 Total energy: -31.226155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.226155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.226155 (E_RNA) where: Base-Base interactions energy: -13.892 where: short stacking energy: -14.141 Base-Backbone interact. energy: -0.091 local terms energy: -17.243424 where: bonds (distance) C4'-P energy: -4.913 bonds (distance) P-C4' energy: -4.585 flat angles C4'-P-C4' energy: -3.781 flat angles P-C4'-P energy: -2.450 tors. eta vs tors. theta energy: -1.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 353 Temperature: 1.300000 Total energy: -24.328860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.328860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.328860 (E_RNA) where: Base-Base interactions energy: -3.969 where: short stacking energy: -3.969 Base-Backbone interact. energy: -0.015 local terms energy: -20.343920 where: bonds (distance) C4'-P energy: -5.241 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -5.509 flat angles P-C4'-P energy: -2.609 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: 10, replica: 10 ===================================== Write number: 353 Temperature: 1.350000 Total energy: -31.208165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.208165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.208165 (E_RNA) where: Base-Base interactions energy: -11.271 where: short stacking energy: -11.271 Base-Backbone interact. energy: -0.097 local terms energy: -19.839695 where: bonds (distance) C4'-P energy: -3.547 bonds (distance) P-C4' energy: -3.874 flat angles C4'-P-C4' energy: -5.808 flat angles P-C4'-P energy: -4.523 tors. eta vs tors. theta energy: -2.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 354 Temperature: 0.900000 Total energy: -41.067868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.067868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.067868 (E_RNA) where: Base-Base interactions energy: -17.461 where: short stacking energy: -17.461 Base-Backbone interact. energy: -0.160 local terms energy: -23.447260 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -5.696 flat angles P-C4'-P energy: -3.922 tors. eta vs tors. theta energy: -3.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 354 Temperature: 0.950000 Total energy: -38.702842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.702842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.702842 (E_RNA) where: Base-Base interactions energy: -16.071 where: short stacking energy: -16.071 Base-Backbone interact. energy: -0.002 local terms energy: -22.629816 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -5.594 flat angles C4'-P-C4' energy: -5.839 flat angles P-C4'-P energy: -4.390 tors. eta vs tors. theta energy: -1.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 354 Temperature: 1.000000 Total energy: -42.016330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.016330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.016330 (E_RNA) where: Base-Base interactions energy: -16.964 where: short stacking energy: -16.964 Base-Backbone interact. energy: -0.000 local terms energy: -25.052053 where: bonds (distance) C4'-P energy: -3.680 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -5.532 flat angles P-C4'-P energy: -4.411 tors. eta vs tors. theta energy: -4.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 354 Temperature: 1.050000 Total energy: -35.942124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.942124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.942124 (E_RNA) where: Base-Base interactions energy: -11.676 where: short stacking energy: -11.676 Base-Backbone interact. energy: -0.071 local terms energy: -24.195190 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -5.705 flat angles C4'-P-C4' energy: -5.362 flat angles P-C4'-P energy: -3.699 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: 5, replica: 3 ===================================== Write number: 354 Temperature: 1.100000 Total energy: -37.516392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.516392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.516392 (E_RNA) where: Base-Base interactions energy: -16.652 where: short stacking energy: -16.652 Base-Backbone interact. energy: -0.002 local terms energy: -20.862151 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -2.012 flat angles P-C4'-P energy: -4.952 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: 5 ===================================== Write number: 354 Temperature: 1.150000 Total energy: -40.076139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.076139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.076139 (E_RNA) where: Base-Base interactions energy: -18.485 where: short stacking energy: -18.485 Base-Backbone interact. energy: -0.014 local terms energy: -21.577793 where: bonds (distance) C4'-P energy: -3.014 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -5.296 flat angles P-C4'-P energy: -4.596 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: 7, replica: 2 ===================================== Write number: 354 Temperature: 1.200000 Total energy: -32.860532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.860532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.860532 (E_RNA) where: Base-Base interactions energy: -8.309 where: short stacking energy: -8.309 Base-Backbone interact. energy: -0.300 local terms energy: -24.251056 where: bonds (distance) C4'-P energy: -4.028 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -5.526 flat angles P-C4'-P energy: -3.652 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: 8, replica: 1 ===================================== Write number: 354 Temperature: 1.250000 Total energy: -36.684103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.684103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.684103 (E_RNA) where: Base-Base interactions energy: -14.860 where: short stacking energy: -14.860 Base-Backbone interact. energy: -0.000 local terms energy: -21.824556 where: bonds (distance) C4'-P energy: -6.354 bonds (distance) P-C4' energy: -4.649 flat angles C4'-P-C4' energy: -6.133 flat angles P-C4'-P energy: -1.851 tors. eta vs tors. theta energy: -2.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 354 Temperature: 1.300000 Total energy: -29.664383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.664383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.664383 (E_RNA) where: Base-Base interactions energy: -10.015 where: short stacking energy: -10.015 Base-Backbone interact. energy: -0.067 local terms energy: -19.582239 where: bonds (distance) C4'-P energy: -5.419 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -6.068 flat angles P-C4'-P energy: -2.576 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: 8 ===================================== Write number: 354 Temperature: 1.350000 Total energy: -27.837791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.837791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.837791 (E_RNA) where: Base-Base interactions energy: -9.767 where: short stacking energy: -9.767 Base-Backbone interact. energy: -0.007 local terms energy: -18.063963 where: bonds (distance) C4'-P energy: -5.021 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -4.434 flat angles P-C4'-P energy: -3.891 tors. eta vs tors. theta energy: 2.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 355 Temperature: 0.900000 Total energy: -37.077929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.077929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.077929 (E_RNA) where: Base-Base interactions energy: -13.082 where: short stacking energy: -13.082 Base-Backbone interact. energy: -0.000 local terms energy: -23.995629 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -5.729 flat angles P-C4'-P energy: -2.887 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: 2, replica: 4 ===================================== Write number: 355 Temperature: 0.950000 Total energy: -39.206298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.206298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.206298 (E_RNA) where: Base-Base interactions energy: -16.218 where: short stacking energy: -16.218 Base-Backbone interact. energy: -0.013 local terms energy: -22.975844 where: bonds (distance) C4'-P energy: -2.968 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -4.081 flat angles P-C4'-P energy: -4.816 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: 9 ===================================== Write number: 355 Temperature: 1.000000 Total energy: -33.742386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.742386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.742386 (E_RNA) where: Base-Base interactions energy: -9.793 where: short stacking energy: -9.793 Base-Backbone interact. energy: -0.038 local terms energy: -23.910964 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -6.407 flat angles P-C4'-P energy: -4.413 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: 4, replica: 3 ===================================== Write number: 355 Temperature: 1.050000 Total energy: -33.443229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.443229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.443229 (E_RNA) where: Base-Base interactions energy: -12.030 where: short stacking energy: -12.030 Base-Backbone interact. energy: -0.061 local terms energy: -21.351996 where: bonds (distance) C4'-P energy: -2.033 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -5.898 flat angles P-C4'-P energy: -4.617 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: 5, replica: 6 ===================================== Write number: 355 Temperature: 1.100000 Total energy: -38.910740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.910740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.910740 (E_RNA) where: Base-Base interactions energy: -12.165 where: short stacking energy: -12.165 Base-Backbone interact. energy: -0.000 local terms energy: -26.745318 where: bonds (distance) C4'-P energy: -3.770 bonds (distance) P-C4' energy: -6.227 flat angles C4'-P-C4' energy: -6.186 flat angles P-C4'-P energy: -5.271 tors. eta vs tors. theta energy: -5.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 355 Temperature: 1.150000 Total energy: -29.281726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.281726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.281726 (E_RNA) where: Base-Base interactions energy: -8.941 where: short stacking energy: -8.941 Base-Backbone interact. energy: -0.018 local terms energy: -20.323037 where: bonds (distance) C4'-P energy: -4.988 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -4.356 flat angles P-C4'-P energy: -2.487 tors. eta vs tors. theta energy: -1.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 355 Temperature: 1.200000 Total energy: -32.075703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.075703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.075703 (E_RNA) where: Base-Base interactions energy: -9.130 where: short stacking energy: -9.130 Base-Backbone interact. energy: -0.000 local terms energy: -22.945786 where: bonds (distance) C4'-P energy: -5.277 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -5.503 flat angles P-C4'-P energy: -4.705 tors. eta vs tors. theta energy: -1.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 355 Temperature: 1.250000 Total energy: -32.523734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.523734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.523734 (E_RNA) where: Base-Base interactions energy: -14.912 where: short stacking energy: -14.912 Base-Backbone interact. energy: -0.001 local terms energy: -17.610288 where: bonds (distance) C4'-P energy: -0.066 bonds (distance) P-C4' energy: -4.493 flat angles C4'-P-C4' energy: -5.257 flat angles P-C4'-P energy: -4.978 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: 9, replica: 1 ===================================== Write number: 355 Temperature: 1.300000 Total energy: -30.242219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.242219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.242219 (E_RNA) where: Base-Base interactions energy: -11.350 where: short stacking energy: -11.350 Base-Backbone interact. energy: -0.000 local terms energy: -18.892126 where: bonds (distance) C4'-P energy: -5.091 bonds (distance) P-C4' energy: -6.206 flat angles C4'-P-C4' energy: -3.728 flat angles P-C4'-P energy: -3.201 tors. eta vs tors. theta energy: -0.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 355 Temperature: 1.350000 Total energy: -29.684439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.684439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.684439 (E_RNA) where: Base-Base interactions energy: -8.868 where: short stacking energy: -8.868 Base-Backbone interact. energy: -0.100 local terms energy: -20.716054 where: bonds (distance) C4'-P energy: -3.878 bonds (distance) P-C4' energy: -5.597 flat angles C4'-P-C4' energy: -5.942 flat angles P-C4'-P energy: -3.196 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: 4 ===================================== Write number: 356 Temperature: 0.900000 Total energy: -40.148157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.148157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.148157 (E_RNA) where: Base-Base interactions energy: -11.690 where: short stacking energy: -11.690 Base-Backbone interact. energy: -0.000 local terms energy: -28.458133 where: bonds (distance) C4'-P energy: -5.199 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.755 flat angles P-C4'-P energy: -4.185 tors. eta vs tors. theta energy: -6.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 356 Temperature: 0.950000 Total energy: -42.226362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.226362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.226362 (E_RNA) where: Base-Base interactions energy: -18.198 where: short stacking energy: -18.198 Base-Backbone interact. energy: -0.008 local terms energy: -24.019673 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -5.048 flat angles C4'-P-C4' energy: -3.967 flat angles P-C4'-P energy: -5.192 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: 356 Temperature: 1.000000 Total energy: -35.652810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.652810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.652810 (E_RNA) where: Base-Base interactions energy: -12.299 where: short stacking energy: -12.299 Base-Backbone interact. energy: -0.063 local terms energy: -23.290302 where: bonds (distance) C4'-P energy: -6.354 bonds (distance) P-C4' energy: -4.405 flat angles C4'-P-C4' energy: -5.974 flat angles P-C4'-P energy: -4.195 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: 4, replica: 9 ===================================== Write number: 356 Temperature: 1.050000 Total energy: -33.065144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.065144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.065144 (E_RNA) where: Base-Base interactions energy: -12.156 where: short stacking energy: -12.193 Base-Backbone interact. energy: -0.145 local terms energy: -20.764623 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -3.578 flat angles C4'-P-C4' energy: -4.134 flat angles P-C4'-P energy: -5.233 tors. eta vs tors. theta energy: -1.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 356 Temperature: 1.100000 Total energy: -33.645298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.645298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.645298 (E_RNA) where: Base-Base interactions energy: -12.633 where: short stacking energy: -12.633 Base-Backbone interact. energy: -0.393 local terms energy: -20.619035 where: bonds (distance) C4'-P energy: -4.681 bonds (distance) P-C4' energy: -5.995 flat angles C4'-P-C4' energy: -3.770 flat angles P-C4'-P energy: -2.609 tors. eta vs tors. theta energy: -3.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 356 Temperature: 1.150000 Total energy: -32.508035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.508035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.508035 (E_RNA) where: Base-Base interactions energy: -7.498 where: short stacking energy: -7.498 Base-Backbone interact. energy: -0.021 local terms energy: -24.989003 where: bonds (distance) C4'-P energy: -4.975 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -6.053 flat angles P-C4'-P energy: -5.060 tors. eta vs tors. theta energy: -1.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 356 Temperature: 1.200000 Total energy: -31.983669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.983669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.983669 (E_RNA) where: Base-Base interactions energy: -11.735 where: short stacking energy: -11.735 Base-Backbone interact. energy: -0.026 local terms energy: -20.222664 where: bonds (distance) C4'-P energy: -5.137 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.162 flat angles P-C4'-P energy: -3.391 tors. eta vs tors. theta energy: -0.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 356 Temperature: 1.250000 Total energy: -33.205393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.205393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.205393 (E_RNA) where: Base-Base interactions energy: -13.128 where: short stacking energy: -13.128 Base-Backbone interact. energy: -0.098 local terms energy: -19.978719 where: bonds (distance) C4'-P energy: -1.106 bonds (distance) P-C4' energy: -5.767 flat angles C4'-P-C4' energy: -5.761 flat angles P-C4'-P energy: -3.021 tors. eta vs tors. theta energy: -4.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 356 Temperature: 1.300000 Total energy: -29.248452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.248452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.248452 (E_RNA) where: Base-Base interactions energy: -7.482 where: short stacking energy: -7.482 Base-Backbone interact. energy: -0.088 local terms energy: -21.678955 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -6.107 flat angles P-C4'-P energy: -3.244 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: 10, replica: 1 ===================================== Write number: 356 Temperature: 1.350000 Total energy: -25.580806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.580806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.580806 (E_RNA) where: Base-Base interactions energy: -3.831 where: short stacking energy: -3.831 Base-Backbone interact. energy: -1.061 local terms energy: -20.688829 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -5.538 flat angles P-C4'-P energy: -4.439 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: 4 ===================================== Write number: 357 Temperature: 0.900000 Total energy: -40.317482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.317482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.317482 (E_RNA) where: Base-Base interactions energy: -17.960 where: short stacking energy: -17.963 Base-Backbone interact. energy: -0.000 local terms energy: -22.357150 where: bonds (distance) C4'-P energy: -4.309 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -5.723 flat angles P-C4'-P energy: -2.470 tors. eta vs tors. theta energy: -2.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 357 Temperature: 0.950000 Total energy: -38.476870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.476870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.476870 (E_RNA) where: Base-Base interactions energy: -14.647 where: short stacking energy: -14.647 Base-Backbone interact. energy: -0.001 local terms energy: -23.828346 where: bonds (distance) C4'-P energy: -6.354 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -2.502 flat angles P-C4'-P energy: -4.560 tors. eta vs tors. theta energy: -3.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 357 Temperature: 1.000000 Total energy: -36.919267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.919267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.919267 (E_RNA) where: Base-Base interactions energy: -13.059 where: short stacking energy: -13.059 Base-Backbone interact. energy: -0.004 local terms energy: -23.856269 where: bonds (distance) C4'-P energy: -5.535 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -5.938 flat angles P-C4'-P energy: -3.225 tors. eta vs tors. theta energy: -2.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 357 Temperature: 1.050000 Total energy: -39.341766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.341766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.341766 (E_RNA) where: Base-Base interactions energy: -13.572 where: short stacking energy: -13.572 Base-Backbone interact. energy: -0.000 local terms energy: -25.769860 where: bonds (distance) C4'-P energy: -5.211 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -6.378 flat angles P-C4'-P energy: -3.292 tors. eta vs tors. theta energy: -4.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 357 Temperature: 1.100000 Total energy: -33.469988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.469988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.469988 (E_RNA) where: Base-Base interactions energy: -10.096 where: short stacking energy: -10.096 Base-Backbone interact. energy: -0.063 local terms energy: -23.311336 where: bonds (distance) C4'-P energy: -5.543 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -4.415 flat angles P-C4'-P energy: -4.619 tors. eta vs tors. theta energy: -2.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 357 Temperature: 1.150000 Total energy: -39.137908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.137908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.137908 (E_RNA) where: Base-Base interactions energy: -14.449 where: short stacking energy: -14.449 Base-Backbone interact. energy: -0.000 local terms energy: -24.688704 where: bonds (distance) C4'-P energy: -4.905 bonds (distance) P-C4' energy: -4.910 flat angles C4'-P-C4' energy: -4.479 flat angles P-C4'-P energy: -3.732 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: 7, replica: 6 ===================================== Write number: 357 Temperature: 1.200000 Total energy: -31.927432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.927432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.927432 (E_RNA) where: Base-Base interactions energy: -9.294 where: short stacking energy: -9.294 Base-Backbone interact. energy: -0.002 local terms energy: -22.631948 where: bonds (distance) C4'-P energy: -4.632 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.759 flat angles P-C4'-P energy: -2.909 tors. eta vs tors. theta energy: -2.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 357 Temperature: 1.250000 Total energy: -33.844402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.844402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.844402 (E_RNA) where: Base-Base interactions energy: -9.794 where: short stacking energy: -9.794 Base-Backbone interact. energy: -0.172 local terms energy: -23.878318 where: bonds (distance) C4'-P energy: -3.237 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -5.472 flat angles P-C4'-P energy: -5.146 tors. eta vs tors. theta energy: -3.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 357 Temperature: 1.300000 Total energy: -32.365529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.365529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.365529 (E_RNA) where: Base-Base interactions energy: -10.088 where: short stacking energy: -10.088 Base-Backbone interact. energy: -0.002 local terms energy: -22.275461 where: bonds (distance) C4'-P energy: -5.368 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -4.024 flat angles P-C4'-P energy: -2.818 tors. eta vs tors. theta energy: -2.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 357 Temperature: 1.350000 Total energy: -27.871120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.871120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.871120 (E_RNA) where: Base-Base interactions energy: -6.470 where: short stacking energy: -6.470 Base-Backbone interact. energy: -0.052 local terms energy: -21.349301 where: bonds (distance) C4'-P energy: -5.456 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -4.330 flat angles P-C4'-P energy: -3.891 tors. eta vs tors. theta energy: -1.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 358 Temperature: 0.900000 Total energy: -42.414726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.414726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.414726 (E_RNA) where: Base-Base interactions energy: -14.701 where: short stacking energy: -14.701 Base-Backbone interact. energy: -0.000 local terms energy: -27.713891 where: bonds (distance) C4'-P energy: -6.276 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -4.017 flat angles P-C4'-P energy: -3.709 tors. eta vs tors. theta energy: -6.833 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: 4 ===================================== Write number: 358 Temperature: 0.950000 Total energy: -40.582810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.582810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.582810 (E_RNA) where: Base-Base interactions energy: -13.370 where: short stacking energy: -13.370 Base-Backbone interact. energy: -0.001 local terms energy: -27.211621 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -7.130 flat angles C4'-P-C4' energy: -5.354 flat angles P-C4'-P energy: -4.196 tors. eta vs tors. theta energy: -5.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 358 Temperature: 1.000000 Total energy: -34.870732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.870732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.870732 (E_RNA) where: Base-Base interactions energy: -13.324 where: short stacking energy: -13.324 Base-Backbone interact. energy: -0.079 local terms energy: -21.467567 where: bonds (distance) C4'-P energy: -4.632 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -5.600 flat angles P-C4'-P energy: -5.002 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: 4, replica: 3 ===================================== Write number: 358 Temperature: 1.050000 Total energy: -36.464532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.464532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.464532 (E_RNA) where: Base-Base interactions energy: -13.550 where: short stacking energy: -13.550 Base-Backbone interact. energy: -0.034 local terms energy: -22.879848 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -4.284 flat angles P-C4'-P energy: -3.948 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: 5, replica: 9 ===================================== Write number: 358 Temperature: 1.100000 Total energy: -33.919692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.919692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.919692 (E_RNA) where: Base-Base interactions energy: -13.092 where: short stacking energy: -13.092 Base-Backbone interact. energy: -0.000 local terms energy: -20.827284 where: bonds (distance) C4'-P energy: -5.589 bonds (distance) P-C4' energy: -4.367 flat angles C4'-P-C4' energy: -3.868 flat angles P-C4'-P energy: -5.184 tors. eta vs tors. theta energy: -1.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 358 Temperature: 1.150000 Total energy: -34.496609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.496609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.496609 (E_RNA) where: Base-Base interactions energy: -13.622 where: short stacking energy: -13.622 Base-Backbone interact. energy: -0.000 local terms energy: -20.874535 where: bonds (distance) C4'-P energy: -4.354 bonds (distance) P-C4' energy: -5.107 flat angles C4'-P-C4' energy: -3.423 flat angles P-C4'-P energy: -4.353 tors. eta vs tors. theta energy: -3.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 358 Temperature: 1.200000 Total energy: -29.513891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.513891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.513891 (E_RNA) where: Base-Base interactions energy: -9.936 where: short stacking energy: -10.285 Base-Backbone interact. energy: -0.045 local terms energy: -19.532516 where: bonds (distance) C4'-P energy: -2.471 bonds (distance) P-C4' energy: -6.128 flat angles C4'-P-C4' energy: -5.326 flat angles P-C4'-P energy: -4.720 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: 8, replica: 6 ===================================== Write number: 358 Temperature: 1.250000 Total energy: -36.302424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.302424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.302424 (E_RNA) where: Base-Base interactions energy: -14.809 where: short stacking energy: -14.809 Base-Backbone interact. energy: -0.093 local terms energy: -21.400697 where: bonds (distance) C4'-P energy: -5.411 bonds (distance) P-C4' energy: -4.910 flat angles C4'-P-C4' energy: -4.474 flat angles P-C4'-P energy: -3.525 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: 9, replica: 1 ===================================== Write number: 358 Temperature: 1.300000 Total energy: -27.546401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.546401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.546401 (E_RNA) where: Base-Base interactions energy: -6.140 where: short stacking energy: -6.594 Base-Backbone interact. energy: -0.130 local terms energy: -21.276660 where: bonds (distance) C4'-P energy: -5.750 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -3.516 flat angles P-C4'-P energy: -2.808 tors. eta vs tors. theta energy: -2.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 358 Temperature: 1.350000 Total energy: -29.455701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.455701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.455701 (E_RNA) where: Base-Base interactions energy: -8.641 where: short stacking energy: -8.641 Base-Backbone interact. energy: -0.002 local terms energy: -20.812742 where: bonds (distance) C4'-P energy: -5.837 bonds (distance) P-C4' energy: -2.634 flat angles C4'-P-C4' energy: -6.240 flat angles P-C4'-P energy: -4.105 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: 1, replica: 7 ===================================== Write number: 359 Temperature: 0.900000 Total energy: -36.973763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.973763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.973763 (E_RNA) where: Base-Base interactions energy: -14.233 where: short stacking energy: -14.233 Base-Backbone interact. energy: -0.164 local terms energy: -22.576414 where: bonds (distance) C4'-P energy: -5.721 bonds (distance) P-C4' energy: -5.255 flat angles C4'-P-C4' energy: -4.987 flat angles P-C4'-P energy: -4.460 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: 2, replica: 2 ===================================== Write number: 359 Temperature: 0.950000 Total energy: -41.038745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.038745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.038745 (E_RNA) where: Base-Base interactions energy: -17.369 where: short stacking energy: -17.369 Base-Backbone interact. energy: -0.000 local terms energy: -23.669975 where: bonds (distance) C4'-P energy: -3.962 bonds (distance) P-C4' energy: -5.491 flat angles C4'-P-C4' energy: -6.287 flat angles P-C4'-P energy: -4.438 tors. eta vs tors. theta energy: -3.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 359 Temperature: 1.000000 Total energy: -39.106171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.106171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.106171 (E_RNA) where: Base-Base interactions energy: -13.439 where: short stacking energy: -13.439 Base-Backbone interact. energy: -0.002 local terms energy: -25.665019 where: bonds (distance) C4'-P energy: -5.109 bonds (distance) P-C4' energy: -6.149 flat angles C4'-P-C4' energy: -4.950 flat angles P-C4'-P energy: -5.249 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: 9 ===================================== Write number: 359 Temperature: 1.050000 Total energy: -36.594196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.594196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.594196 (E_RNA) where: Base-Base interactions energy: -14.522 where: short stacking energy: -14.522 Base-Backbone interact. energy: -0.039 local terms energy: -22.032711 where: bonds (distance) C4'-P energy: -5.427 bonds (distance) P-C4' energy: -5.956 flat angles C4'-P-C4' energy: -4.780 flat angles P-C4'-P energy: -3.315 tors. eta vs tors. theta energy: -2.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 359 Temperature: 1.100000 Total energy: -39.015936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.015936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.015936 (E_RNA) where: Base-Base interactions energy: -14.824 where: short stacking energy: -14.824 Base-Backbone interact. energy: -0.000 local terms energy: -24.191844 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -6.432 flat angles C4'-P-C4' energy: -5.549 flat angles P-C4'-P energy: -4.523 tors. eta vs tors. theta energy: -1.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 359 Temperature: 1.150000 Total energy: -31.924284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.924284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.924284 (E_RNA) where: Base-Base interactions energy: -9.998 where: short stacking energy: -9.998 Base-Backbone interact. energy: -0.000 local terms energy: -21.926202 where: bonds (distance) C4'-P energy: -5.295 bonds (distance) P-C4' energy: -5.594 flat angles C4'-P-C4' energy: -4.829 flat angles P-C4'-P energy: -4.536 tors. eta vs tors. theta energy: -1.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 359 Temperature: 1.200000 Total energy: -31.480508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.480508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.480508 (E_RNA) where: Base-Base interactions energy: -9.791 where: short stacking energy: -9.791 Base-Backbone interact. energy: -0.044 local terms energy: -21.645079 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -5.514 flat angles P-C4'-P energy: -2.743 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: 1 ===================================== Write number: 359 Temperature: 1.250000 Total energy: -27.592512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.592512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.592512 (E_RNA) where: Base-Base interactions energy: -4.190 where: short stacking energy: -4.340 Base-Backbone interact. energy: -0.059 local terms energy: -23.343125 where: bonds (distance) C4'-P energy: -4.139 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -6.534 flat angles P-C4'-P energy: -3.591 tors. eta vs tors. theta energy: -2.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 359 Temperature: 1.300000 Total energy: -33.443546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.443546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.443546 (E_RNA) where: Base-Base interactions energy: -9.770 where: short stacking energy: -9.770 Base-Backbone interact. energy: -0.080 local terms energy: -23.593677 where: bonds (distance) C4'-P energy: -4.996 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -5.566 flat angles P-C4'-P energy: -4.283 tors. eta vs tors. theta energy: -2.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 359 Temperature: 1.350000 Total energy: -29.211893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.211893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.211893 (E_RNA) where: Base-Base interactions energy: -9.075 where: short stacking energy: -9.075 Base-Backbone interact. energy: -0.000 local terms energy: -20.137194 where: bonds (distance) C4'-P energy: -4.251 bonds (distance) P-C4' energy: -5.833 flat angles C4'-P-C4' energy: -5.360 flat angles P-C4'-P energy: -3.127 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: 1, replica: 2 ===================================== Write number: 360 Temperature: 0.900000 Total energy: -39.974180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.974180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.974180 (E_RNA) where: Base-Base interactions energy: -16.888 where: short stacking energy: -16.888 Base-Backbone interact. energy: -0.002 local terms energy: -23.083950 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -5.005 flat angles P-C4'-P energy: -4.119 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: 2, replica: 7 ===================================== Write number: 360 Temperature: 0.950000 Total energy: -40.628660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.628660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.628660 (E_RNA) where: Base-Base interactions energy: -17.532 where: short stacking energy: -17.532 Base-Backbone interact. energy: -0.013 local terms energy: -23.083189 where: bonds (distance) C4'-P energy: -5.866 bonds (distance) P-C4' energy: -6.438 flat angles C4'-P-C4' energy: -5.518 flat angles P-C4'-P energy: -2.814 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: 4 ===================================== Write number: 360 Temperature: 1.000000 Total energy: -37.158908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.158908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.158908 (E_RNA) where: Base-Base interactions energy: -12.736 where: short stacking energy: -12.736 Base-Backbone interact. energy: -0.019 local terms energy: -24.404069 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -5.625 flat angles P-C4'-P energy: -3.640 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: 4, replica: 9 ===================================== Write number: 360 Temperature: 1.050000 Total energy: -38.108560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.108560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.108560 (E_RNA) where: Base-Base interactions energy: -13.052 where: short stacking energy: -13.052 Base-Backbone interact. energy: -0.017 local terms energy: -25.038586 where: bonds (distance) C4'-P energy: -4.789 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -5.921 flat angles P-C4'-P energy: -5.374 tors. eta vs tors. theta energy: -2.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 360 Temperature: 1.100000 Total energy: -37.914141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.914141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.914141 (E_RNA) where: Base-Base interactions energy: -10.926 where: short stacking energy: -10.926 Base-Backbone interact. energy: -0.001 local terms energy: -26.987930 where: bonds (distance) C4'-P energy: -4.781 bonds (distance) P-C4' energy: -5.628 flat angles C4'-P-C4' energy: -5.813 flat angles P-C4'-P energy: -4.368 tors. eta vs tors. theta energy: -6.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 360 Temperature: 1.150000 Total energy: -31.719550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.719550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.719550 (E_RNA) where: Base-Base interactions energy: -7.758 where: short stacking energy: -7.758 Base-Backbone interact. energy: -0.016 local terms energy: -23.946222 where: bonds (distance) C4'-P energy: -5.791 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -5.903 flat angles P-C4'-P energy: -4.811 tors. eta vs tors. theta energy: -1.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 360 Temperature: 1.200000 Total energy: -34.410339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.410339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.410339 (E_RNA) where: Base-Base interactions energy: -10.593 where: short stacking energy: -10.593 Base-Backbone interact. energy: -0.000 local terms energy: -23.816823 where: bonds (distance) C4'-P energy: -5.368 bonds (distance) P-C4' energy: -4.139 flat angles C4'-P-C4' energy: -5.186 flat angles P-C4'-P energy: -4.148 tors. eta vs tors. theta energy: -4.977 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: 10 ===================================== Write number: 360 Temperature: 1.250000 Total energy: -36.929464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.929464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.929464 (E_RNA) where: Base-Base interactions energy: -13.502 where: short stacking energy: -13.502 Base-Backbone interact. energy: -0.006 local terms energy: -23.421228 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -4.020 flat angles P-C4'-P energy: -4.978 tors. eta vs tors. theta energy: -2.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 360 Temperature: 1.300000 Total energy: -29.054575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.054575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.054575 (E_RNA) where: Base-Base interactions energy: -9.460 where: short stacking energy: -9.460 Base-Backbone interact. energy: -0.035 local terms energy: -19.559162 where: bonds (distance) C4'-P energy: -4.152 bonds (distance) P-C4' energy: -5.534 flat angles C4'-P-C4' energy: -4.064 flat angles P-C4'-P energy: -3.904 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: 10, replica: 6 ===================================== Write number: 360 Temperature: 1.350000 Total energy: -32.930874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.930874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.930874 (E_RNA) where: Base-Base interactions energy: -8.834 where: short stacking energy: -8.834 Base-Backbone interact. energy: -0.000 local terms energy: -24.096463 where: bonds (distance) C4'-P energy: -3.709 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -5.480 flat angles P-C4'-P energy: -4.018 tors. eta vs tors. theta energy: -4.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 361 Temperature: 0.900000 Total energy: -39.872903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.872903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.872903 (E_RNA) where: Base-Base interactions energy: -17.215 where: short stacking energy: -17.215 Base-Backbone interact. energy: -0.010 local terms energy: -22.648010 where: bonds (distance) C4'-P energy: -4.868 bonds (distance) P-C4' energy: -5.279 flat angles C4'-P-C4' energy: -4.243 flat angles P-C4'-P energy: -3.955 tors. eta vs tors. theta energy: -4.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 361 Temperature: 0.950000 Total energy: -44.751033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.751033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.751033 (E_RNA) where: Base-Base interactions energy: -16.975 where: short stacking energy: -16.975 Base-Backbone interact. energy: -0.017 local terms energy: -27.759226 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.615 flat angles C4'-P-C4' energy: -5.395 flat angles P-C4'-P energy: -3.807 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: 3, replica: 4 ===================================== Write number: 361 Temperature: 1.000000 Total energy: -34.275781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.275781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.275781 (E_RNA) where: Base-Base interactions energy: -13.677 where: short stacking energy: -13.677 Base-Backbone interact. energy: -0.001 local terms energy: -20.597296 where: bonds (distance) C4'-P energy: -4.877 bonds (distance) P-C4' energy: -6.199 flat angles C4'-P-C4' energy: -5.095 flat angles P-C4'-P energy: -3.498 tors. eta vs tors. theta energy: -0.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 361 Temperature: 1.050000 Total energy: -39.247069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.247069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.247069 (E_RNA) where: Base-Base interactions energy: -14.880 where: short stacking energy: -14.880 Base-Backbone interact. energy: -0.003 local terms energy: -24.363892 where: bonds (distance) C4'-P energy: -5.349 bonds (distance) P-C4' energy: -5.248 flat angles C4'-P-C4' energy: -5.444 flat angles P-C4'-P energy: -4.109 tors. eta vs tors. theta energy: -4.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 361 Temperature: 1.100000 Total energy: -33.644279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.644279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.644279 (E_RNA) where: Base-Base interactions energy: -8.856 where: short stacking energy: -8.856 Base-Backbone interact. energy: -0.062 local terms energy: -24.726434 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -4.834 flat angles P-C4'-P energy: -3.968 tors. eta vs tors. theta energy: -2.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 361 Temperature: 1.150000 Total energy: -36.059456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.059456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.059456 (E_RNA) where: Base-Base interactions energy: -13.413 where: short stacking energy: -13.413 Base-Backbone interact. energy: -0.000 local terms energy: -22.646778 where: bonds (distance) C4'-P energy: -4.988 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -5.830 flat angles P-C4'-P energy: -0.783 tors. eta vs tors. theta energy: -4.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 361 Temperature: 1.200000 Total energy: -33.435130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.435130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.435130 (E_RNA) where: Base-Base interactions energy: -9.857 where: short stacking energy: -9.857 Base-Backbone interact. energy: -0.000 local terms energy: -23.578195 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -6.447 flat angles C4'-P-C4' energy: -5.911 flat angles P-C4'-P energy: -3.963 tors. eta vs tors. theta energy: -1.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 361 Temperature: 1.250000 Total energy: -32.035388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.035388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.035388 (E_RNA) where: Base-Base interactions energy: -11.421 where: short stacking energy: -11.421 Base-Backbone interact. energy: 0.498 local terms energy: -21.112369 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -5.956 flat angles C4'-P-C4' energy: -4.343 flat angles P-C4'-P energy: -3.131 tors. eta vs tors. theta energy: -2.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 361 Temperature: 1.300000 Total energy: -34.219628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.219628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.219628 (E_RNA) where: Base-Base interactions energy: -12.814 where: short stacking energy: -12.814 Base-Backbone interact. energy: -0.000 local terms energy: -21.405286 where: bonds (distance) C4'-P energy: -5.233 bonds (distance) P-C4' energy: -4.854 flat angles C4'-P-C4' energy: -4.469 flat angles P-C4'-P energy: -3.320 tors. eta vs tors. theta energy: -3.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 361 Temperature: 1.350000 Total energy: -27.307294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.307294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.307294 (E_RNA) where: Base-Base interactions energy: -5.616 where: short stacking energy: -5.616 Base-Backbone interact. energy: -0.000 local terms energy: -21.690628 where: bonds (distance) C4'-P energy: -4.781 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -4.193 flat angles P-C4'-P energy: -4.591 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: 1, replica: 7 ===================================== Write number: 362 Temperature: 0.900000 Total energy: -36.639134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.639134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.639134 (E_RNA) where: Base-Base interactions energy: -11.589 where: short stacking energy: -11.589 Base-Backbone interact. energy: -0.003 local terms energy: -25.047770 where: bonds (distance) C4'-P energy: -5.013 bonds (distance) P-C4' energy: -6.457 flat angles C4'-P-C4' energy: -5.484 flat angles P-C4'-P energy: -4.522 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: 2, replica: 2 ===================================== Write number: 362 Temperature: 0.950000 Total energy: -37.613910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.613910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.613910 (E_RNA) where: Base-Base interactions energy: -16.406 where: short stacking energy: -16.406 Base-Backbone interact. energy: -0.006 local terms energy: -21.202747 where: bonds (distance) C4'-P energy: -4.967 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -6.079 flat angles P-C4'-P energy: -4.257 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: 3, replica: 8 ===================================== Write number: 362 Temperature: 1.000000 Total energy: -37.343887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.343887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.343887 (E_RNA) where: Base-Base interactions energy: -12.136 where: short stacking energy: -12.136 Base-Backbone interact. energy: -0.089 local terms energy: -25.118863 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -6.100 flat angles C4'-P-C4' energy: -6.181 flat angles P-C4'-P energy: -3.420 tors. eta vs tors. theta energy: -3.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 362 Temperature: 1.050000 Total energy: -36.093080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.093080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.093080 (E_RNA) where: Base-Base interactions energy: -15.654 where: short stacking energy: -15.654 Base-Backbone interact. energy: -0.005 local terms energy: -20.434084 where: bonds (distance) C4'-P energy: -3.485 bonds (distance) P-C4' energy: -6.177 flat angles C4'-P-C4' energy: -6.156 flat angles P-C4'-P energy: -2.373 tors. eta vs tors. theta energy: -2.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 362 Temperature: 1.100000 Total energy: -33.498529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.498529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.498529 (E_RNA) where: Base-Base interactions energy: -14.223 where: short stacking energy: -14.223 Base-Backbone interact. energy: -0.028 local terms energy: -19.246975 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -5.597 flat angles C4'-P-C4' energy: -3.327 flat angles P-C4'-P energy: -4.728 tors. eta vs tors. theta energy: -0.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 362 Temperature: 1.150000 Total energy: -36.966380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.966380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.966380 (E_RNA) where: Base-Base interactions energy: -12.757 where: short stacking energy: -12.757 Base-Backbone interact. energy: -0.000 local terms energy: -24.209394 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.447 flat angles C4'-P-C4' energy: -4.825 flat angles P-C4'-P energy: -3.707 tors. eta vs tors. theta energy: -3.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 362 Temperature: 1.200000 Total energy: -30.310110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.310110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.310110 (E_RNA) where: Base-Base interactions energy: -9.053 where: short stacking energy: -9.053 Base-Backbone interact. energy: -0.001 local terms energy: -21.256402 where: bonds (distance) C4'-P energy: -5.535 bonds (distance) P-C4' energy: -5.469 flat angles C4'-P-C4' energy: -5.889 flat angles P-C4'-P energy: -3.262 tors. eta vs tors. theta energy: -1.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 362 Temperature: 1.250000 Total energy: -28.394853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.394853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.394853 (E_RNA) where: Base-Base interactions energy: -7.848 where: short stacking energy: -7.848 Base-Backbone interact. energy: -0.000 local terms energy: -20.547068 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -4.239 flat angles P-C4'-P energy: -3.091 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: 9, replica: 6 ===================================== Write number: 362 Temperature: 1.300000 Total energy: -27.202735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.202735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.202735 (E_RNA) where: Base-Base interactions energy: -9.434 where: short stacking energy: -9.434 Base-Backbone interact. energy: 0.084 local terms energy: -17.852663 where: bonds (distance) C4'-P energy: -4.143 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -5.361 flat angles P-C4'-P energy: -4.934 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: 10, replica: 10 ===================================== Write number: 362 Temperature: 1.350000 Total energy: -24.276151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.276151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.276151 (E_RNA) where: Base-Base interactions energy: -8.484 where: short stacking energy: -8.484 Base-Backbone interact. energy: -0.065 local terms energy: -15.727734 where: bonds (distance) C4'-P energy: -3.236 bonds (distance) P-C4' energy: -5.537 flat angles C4'-P-C4' energy: -3.025 flat angles P-C4'-P energy: -2.800 tors. eta vs tors. theta energy: -1.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 363 Temperature: 0.900000 Total energy: -35.374098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.374098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.374098 (E_RNA) where: Base-Base interactions energy: -12.929 where: short stacking energy: -12.073 Base-Backbone interact. energy: -0.005 local terms energy: -22.439959 where: bonds (distance) C4'-P energy: -4.578 bonds (distance) P-C4' energy: -5.534 flat angles C4'-P-C4' energy: -5.635 flat angles P-C4'-P energy: -4.705 tors. eta vs tors. theta energy: -1.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 363 Temperature: 0.950000 Total energy: -37.451784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.451784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.451784 (E_RNA) where: Base-Base interactions energy: -16.637 where: short stacking energy: -16.637 Base-Backbone interact. energy: -0.000 local terms energy: -20.814349 where: bonds (distance) C4'-P energy: -4.566 bonds (distance) P-C4' energy: -5.723 flat angles C4'-P-C4' energy: -5.708 flat angles P-C4'-P energy: -3.865 tors. eta vs tors. theta energy: -0.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 363 Temperature: 1.000000 Total energy: -38.627151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.627151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.627151 (E_RNA) where: Base-Base interactions energy: -14.523 where: short stacking energy: -14.523 Base-Backbone interact. energy: -0.002 local terms energy: -24.101790 where: bonds (distance) C4'-P energy: -5.866 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.881 flat angles P-C4'-P energy: -2.691 tors. eta vs tors. theta energy: -2.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 363 Temperature: 1.050000 Total energy: -33.324179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.324179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.324179 (E_RNA) where: Base-Base interactions energy: -11.104 where: short stacking energy: -11.104 Base-Backbone interact. energy: -0.006 local terms energy: -22.213704 where: bonds (distance) C4'-P energy: -6.105 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.080 flat angles P-C4'-P energy: -3.530 tors. eta vs tors. theta energy: -0.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 363 Temperature: 1.100000 Total energy: -31.942885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.942885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.942885 (E_RNA) where: Base-Base interactions energy: -9.949 where: short stacking energy: -9.949 Base-Backbone interact. energy: -0.000 local terms energy: -21.993616 where: bonds (distance) C4'-P energy: -4.159 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.487 flat angles P-C4'-P energy: -3.907 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: 6, replica: 5 ===================================== Write number: 363 Temperature: 1.150000 Total energy: -36.806173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.806173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.806173 (E_RNA) where: Base-Base interactions energy: -14.667 where: short stacking energy: -14.667 Base-Backbone interact. energy: -0.000 local terms energy: -22.138901 where: bonds (distance) C4'-P energy: -4.871 bonds (distance) P-C4' energy: -3.730 flat angles C4'-P-C4' energy: -5.956 flat angles P-C4'-P energy: -2.997 tors. eta vs tors. theta energy: -4.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 363 Temperature: 1.200000 Total energy: -35.534281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.534281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.534281 (E_RNA) where: Base-Base interactions energy: -10.582 where: short stacking energy: -10.582 Base-Backbone interact. energy: -0.003 local terms energy: -24.949106 where: bonds (distance) C4'-P energy: -5.650 bonds (distance) P-C4' energy: -5.315 flat angles C4'-P-C4' energy: -5.772 flat angles P-C4'-P energy: -4.392 tors. eta vs tors. theta energy: -3.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 363 Temperature: 1.250000 Total energy: -28.043573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.043573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.043573 (E_RNA) where: Base-Base interactions energy: -7.988 where: short stacking energy: -7.988 Base-Backbone interact. energy: -0.244 local terms energy: -19.811373 where: bonds (distance) C4'-P energy: -5.303 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -4.830 flat angles P-C4'-P energy: -1.773 tors. eta vs tors. theta energy: -1.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 363 Temperature: 1.300000 Total energy: -32.205442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.205442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.205442 (E_RNA) where: Base-Base interactions energy: -11.044 where: short stacking energy: -11.044 Base-Backbone interact. energy: -0.000 local terms energy: -21.160992 where: bonds (distance) C4'-P energy: -4.238 bonds (distance) P-C4' energy: -5.674 flat angles C4'-P-C4' energy: -4.769 flat angles P-C4'-P energy: -3.316 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: 10, replica: 10 ===================================== Write number: 363 Temperature: 1.350000 Total energy: -26.340728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.340728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.340728 (E_RNA) where: Base-Base interactions energy: -4.740 where: short stacking energy: -4.740 Base-Backbone interact. energy: -0.079 local terms energy: -21.521713 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -5.146 flat angles C4'-P-C4' energy: -4.753 flat angles P-C4'-P energy: -4.219 tors. eta vs tors. theta energy: -1.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 364 Temperature: 0.900000 Total energy: -41.131073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.131073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.131073 (E_RNA) where: Base-Base interactions energy: -16.735 where: short stacking energy: -16.735 Base-Backbone interact. energy: -0.021 local terms energy: -24.375014 where: bonds (distance) C4'-P energy: -4.168 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -4.813 flat angles P-C4'-P energy: -3.968 tors. eta vs tors. theta energy: -4.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 364 Temperature: 0.950000 Total energy: -40.669824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.669824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.669824 (E_RNA) where: Base-Base interactions energy: -14.734 where: short stacking energy: -14.734 Base-Backbone interact. energy: -2.517 local terms energy: -23.418018 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -3.951 flat angles C4'-P-C4' energy: -5.366 flat angles P-C4'-P energy: -4.221 tors. eta vs tors. theta energy: -3.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 364 Temperature: 1.000000 Total energy: -35.796819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.796819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.796819 (E_RNA) where: Base-Base interactions energy: -14.125 where: short stacking energy: -14.125 Base-Backbone interact. energy: -0.001 local terms energy: -21.670464 where: bonds (distance) C4'-P energy: -6.246 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -5.642 flat angles P-C4'-P energy: -2.795 tors. eta vs tors. theta energy: 0.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 364 Temperature: 1.050000 Total energy: -29.586940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.586940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.586940 (E_RNA) where: Base-Base interactions energy: -7.646 where: short stacking energy: -7.646 Base-Backbone interact. energy: -0.074 local terms energy: -21.866513 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -4.659 flat angles C4'-P-C4' energy: -3.972 flat angles P-C4'-P energy: -4.744 tors. eta vs tors. theta energy: -2.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 364 Temperature: 1.100000 Total energy: -34.644502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.644502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.644502 (E_RNA) where: Base-Base interactions energy: -13.109 where: short stacking energy: -13.109 Base-Backbone interact. energy: -0.000 local terms energy: -21.535240 where: bonds (distance) C4'-P energy: -3.423 bonds (distance) P-C4' energy: -6.622 flat angles C4'-P-C4' energy: -3.300 flat angles P-C4'-P energy: -4.112 tors. eta vs tors. theta energy: -4.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 364 Temperature: 1.150000 Total energy: -37.832393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.832393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.832393 (E_RNA) where: Base-Base interactions energy: -12.127 where: short stacking energy: -12.127 Base-Backbone interact. energy: -0.100 local terms energy: -25.605798 where: bonds (distance) C4'-P energy: -4.863 bonds (distance) P-C4' energy: -6.355 flat angles C4'-P-C4' energy: -6.205 flat angles P-C4'-P energy: -4.011 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: 7, replica: 6 ===================================== Write number: 364 Temperature: 1.200000 Total energy: -32.750926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.750926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.750926 (E_RNA) where: Base-Base interactions energy: -12.154 where: short stacking energy: -12.154 Base-Backbone interact. energy: -0.000 local terms energy: -20.596799 where: bonds (distance) C4'-P energy: -4.068 bonds (distance) P-C4' energy: -6.125 flat angles C4'-P-C4' energy: -4.534 flat angles P-C4'-P energy: -2.999 tors. eta vs tors. theta energy: -2.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 364 Temperature: 1.250000 Total energy: -36.748943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.748943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.748943 (E_RNA) where: Base-Base interactions energy: -12.630 where: short stacking energy: -12.630 Base-Backbone interact. energy: -0.000 local terms energy: -24.119043 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.447 flat angles C4'-P-C4' energy: -5.272 flat angles P-C4'-P energy: -2.204 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: 9, replica: 10 ===================================== Write number: 364 Temperature: 1.300000 Total energy: -32.092095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.092095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.092095 (E_RNA) where: Base-Base interactions energy: -9.282 where: short stacking energy: -9.282 Base-Backbone interact. energy: -0.000 local terms energy: -22.810196 where: bonds (distance) C4'-P energy: -4.516 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -5.235 flat angles P-C4'-P energy: -4.840 tors. eta vs tors. theta energy: -1.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 364 Temperature: 1.350000 Total energy: -27.448411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.448411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.448411 (E_RNA) where: Base-Base interactions energy: -5.692 where: short stacking energy: -5.692 Base-Backbone interact. energy: -0.000 local terms energy: -21.756528 where: bonds (distance) C4'-P energy: -6.105 bonds (distance) P-C4' energy: -6.174 flat angles C4'-P-C4' energy: -4.571 flat angles P-C4'-P energy: -3.457 tors. eta vs tors. theta energy: -1.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 365 Temperature: 0.900000 Total energy: -38.476378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.476378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.476378 (E_RNA) where: Base-Base interactions energy: -14.581 where: short stacking energy: -14.581 Base-Backbone interact. energy: -0.032 local terms energy: -23.863088 where: bonds (distance) C4'-P energy: -4.251 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -5.416 flat angles P-C4'-P energy: -3.857 tors. eta vs tors. theta energy: -3.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 365 Temperature: 0.950000 Total energy: -38.119698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.119698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.119698 (E_RNA) where: Base-Base interactions energy: -12.410 where: short stacking energy: -12.410 Base-Backbone interact. energy: -0.002 local terms energy: -25.707552 where: bonds (distance) C4'-P energy: -5.199 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -6.141 flat angles P-C4'-P energy: -4.347 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: 3, replica: 7 ===================================== Write number: 365 Temperature: 1.000000 Total energy: -34.912272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.912272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.912272 (E_RNA) where: Base-Base interactions energy: -12.039 where: short stacking energy: -12.039 Base-Backbone interact. energy: -0.006 local terms energy: -22.867685 where: bonds (distance) C4'-P energy: -4.764 bonds (distance) P-C4' energy: -5.956 flat angles C4'-P-C4' energy: -4.859 flat angles P-C4'-P energy: -3.857 tors. eta vs tors. theta energy: -3.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 365 Temperature: 1.050000 Total energy: -36.570095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.570095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.570095 (E_RNA) where: Base-Base interactions energy: -12.127 where: short stacking energy: -12.127 Base-Backbone interact. energy: -0.058 local terms energy: -24.385599 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -6.179 flat angles P-C4'-P energy: -2.626 tors. eta vs tors. theta energy: -3.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 365 Temperature: 1.100000 Total energy: -34.376168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.376168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.376168 (E_RNA) where: Base-Base interactions energy: -12.511 where: short stacking energy: -12.511 Base-Backbone interact. energy: -0.005 local terms energy: -21.860391 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -2.961 flat angles P-C4'-P energy: -4.274 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: 6, replica: 6 ===================================== Write number: 365 Temperature: 1.150000 Total energy: -35.061848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.061848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.061848 (E_RNA) where: Base-Base interactions energy: -14.141 where: short stacking energy: -14.141 Base-Backbone interact. energy: -0.000 local terms energy: -20.921294 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -5.472 flat angles C4'-P-C4' energy: -5.619 flat angles P-C4'-P energy: -4.955 tors. eta vs tors. theta energy: 1.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 365 Temperature: 1.200000 Total energy: -32.219287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.219287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.219287 (E_RNA) where: Base-Base interactions energy: -10.079 where: short stacking energy: -10.079 Base-Backbone interact. energy: -0.097 local terms energy: -22.043680 where: bonds (distance) C4'-P energy: -4.504 bonds (distance) P-C4' energy: -4.821 flat angles C4'-P-C4' energy: -4.608 flat angles P-C4'-P energy: -4.857 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: 8, replica: 10 ===================================== Write number: 365 Temperature: 1.250000 Total energy: -28.588977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.588977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.588977 (E_RNA) where: Base-Base interactions energy: -8.663 where: short stacking energy: -8.663 Base-Backbone interact. energy: -0.107 local terms energy: -19.818668 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.470 flat angles P-C4'-P energy: -3.569 tors. eta vs tors. theta energy: 0.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 365 Temperature: 1.300000 Total energy: -33.500147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.500147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.500147 (E_RNA) where: Base-Base interactions energy: -10.531 where: short stacking energy: -10.531 Base-Backbone interact. energy: -0.000 local terms energy: -22.969374 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -4.123 flat angles P-C4'-P energy: -4.115 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: 10, replica: 3 ===================================== Write number: 365 Temperature: 1.350000 Total energy: -33.388004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.388004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.388004 (E_RNA) where: Base-Base interactions energy: -11.814 where: short stacking energy: -11.814 Base-Backbone interact. energy: -0.005 local terms energy: -21.568335 where: bonds (distance) C4'-P energy: -5.572 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -5.217 flat angles P-C4'-P energy: -2.519 tors. eta vs tors. theta energy: -2.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 366 Temperature: 0.900000 Total energy: -41.732432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.732432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.732432 (E_RNA) where: Base-Base interactions energy: -13.990 where: short stacking energy: -13.990 Base-Backbone interact. energy: -0.000 local terms energy: -27.742563 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.873 flat angles C4'-P-C4' energy: -5.904 flat angles P-C4'-P energy: -4.431 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: 2, replica: 8 ===================================== Write number: 366 Temperature: 0.950000 Total energy: -41.267132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.267132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.267132 (E_RNA) where: Base-Base interactions energy: -17.500 where: short stacking energy: -17.500 Base-Backbone interact. energy: -0.024 local terms energy: -23.743200 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.432 flat angles C4'-P-C4' energy: -5.316 flat angles P-C4'-P energy: -2.112 tors. eta vs tors. theta energy: -3.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 366 Temperature: 1.000000 Total energy: -33.894711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.894711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.894711 (E_RNA) where: Base-Base interactions energy: -8.740 where: short stacking energy: -8.740 Base-Backbone interact. energy: -0.101 local terms energy: -25.053416 where: bonds (distance) C4'-P energy: -5.191 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -6.329 flat angles P-C4'-P energy: -3.615 tors. eta vs tors. theta energy: -3.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 366 Temperature: 1.050000 Total energy: -35.574027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.574027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.574027 (E_RNA) where: Base-Base interactions energy: -14.151 where: short stacking energy: -14.151 Base-Backbone interact. energy: -0.102 local terms energy: -21.320219 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -1.795 flat angles P-C4'-P energy: -4.609 tors. eta vs tors. theta energy: -2.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 366 Temperature: 1.100000 Total energy: -36.240708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.240708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.240708 (E_RNA) where: Base-Base interactions energy: -13.408 where: short stacking energy: -13.408 Base-Backbone interact. energy: -0.000 local terms energy: -22.832411 where: bonds (distance) C4'-P energy: -5.393 bonds (distance) P-C4' energy: -5.417 flat angles C4'-P-C4' energy: -5.041 flat angles P-C4'-P energy: -4.917 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: 6, replica: 2 ===================================== Write number: 366 Temperature: 1.150000 Total energy: -35.423063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.423063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.423063 (E_RNA) where: Base-Base interactions energy: -13.004 where: short stacking energy: -13.004 Base-Backbone interact. energy: -0.003 local terms energy: -22.416281 where: bonds (distance) C4'-P energy: -6.023 bonds (distance) P-C4' energy: -6.407 flat angles C4'-P-C4' energy: -4.194 flat angles P-C4'-P energy: -3.545 tors. eta vs tors. theta energy: -2.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 366 Temperature: 1.200000 Total energy: -34.398383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.398383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.398383 (E_RNA) where: Base-Base interactions energy: -11.618 where: short stacking energy: -11.618 Base-Backbone interact. energy: -0.078 local terms energy: -22.701889 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.378 flat angles P-C4'-P energy: -3.555 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: 8, replica: 4 ===================================== Write number: 366 Temperature: 1.250000 Total energy: -35.076447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.076447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.076447 (E_RNA) where: Base-Base interactions energy: -11.915 where: short stacking energy: -11.915 Base-Backbone interact. energy: -0.000 local terms energy: -23.160955 where: bonds (distance) C4'-P energy: -4.090 bonds (distance) P-C4' energy: -5.509 flat angles C4'-P-C4' energy: -5.460 flat angles P-C4'-P energy: -3.809 tors. eta vs tors. theta energy: -4.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 366 Temperature: 1.300000 Total energy: -33.138030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.138030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.138030 (E_RNA) where: Base-Base interactions energy: -13.067 where: short stacking energy: -13.067 Base-Backbone interact. energy: -0.001 local terms energy: -20.069788 where: bonds (distance) C4'-P energy: -5.137 bonds (distance) P-C4' energy: -5.065 flat angles C4'-P-C4' energy: -3.193 flat angles P-C4'-P energy: -2.572 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: 10, replica: 3 ===================================== Write number: 366 Temperature: 1.350000 Total energy: -27.968298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.968298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.968298 (E_RNA) where: Base-Base interactions energy: -8.882 where: short stacking energy: -8.882 Base-Backbone interact. energy: -0.671 local terms energy: -18.415448 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -3.635 flat angles P-C4'-P energy: -3.540 tors. eta vs tors. theta energy: 0.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 367 Temperature: 0.900000 Total energy: -43.374321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.374321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.374321 (E_RNA) where: Base-Base interactions energy: -18.071 where: short stacking energy: -18.071 Base-Backbone interact. energy: -0.000 local terms energy: -25.303356 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -5.903 flat angles P-C4'-P energy: -4.115 tors. eta vs tors. theta energy: -2.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 367 Temperature: 0.950000 Total energy: -37.405243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.405243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.405243 (E_RNA) where: Base-Base interactions energy: -14.707 where: short stacking energy: -14.707 Base-Backbone interact. energy: -0.007 local terms energy: -22.691802 where: bonds (distance) C4'-P energy: -3.770 bonds (distance) P-C4' energy: -5.343 flat angles C4'-P-C4' energy: -6.279 flat angles P-C4'-P energy: -3.583 tors. eta vs tors. theta energy: -3.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 367 Temperature: 1.000000 Total energy: -34.183417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.183417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.183417 (E_RNA) where: Base-Base interactions energy: -13.227 where: short stacking energy: -13.227 Base-Backbone interact. energy: -0.004 local terms energy: -20.951957 where: bonds (distance) C4'-P energy: -3.274 bonds (distance) P-C4' energy: -6.149 flat angles C4'-P-C4' energy: -4.863 flat angles P-C4'-P energy: -3.980 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: 6 ===================================== Write number: 367 Temperature: 1.050000 Total energy: -36.980916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.980916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.980916 (E_RNA) where: Base-Base interactions energy: -14.674 where: short stacking energy: -14.674 Base-Backbone interact. energy: -0.000 local terms energy: -22.307015 where: bonds (distance) C4'-P energy: -4.238 bonds (distance) P-C4' energy: -6.125 flat angles C4'-P-C4' energy: -5.993 flat angles P-C4'-P energy: -4.156 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: 5, replica: 7 ===================================== Write number: 367 Temperature: 1.100000 Total energy: -36.810949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.810949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.810949 (E_RNA) where: Base-Base interactions energy: -13.124 where: short stacking energy: -13.124 Base-Backbone interact. energy: -0.017 local terms energy: -23.669229 where: bonds (distance) C4'-P energy: -6.470 bonds (distance) P-C4' energy: -5.569 flat angles C4'-P-C4' energy: -5.498 flat angles P-C4'-P energy: -4.151 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: 6, replica: 10 ===================================== Write number: 367 Temperature: 1.150000 Total energy: -35.034039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.034039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.034039 (E_RNA) where: Base-Base interactions energy: -12.815 where: short stacking energy: -12.815 Base-Backbone interact. energy: -0.011 local terms energy: -22.207265 where: bonds (distance) C4'-P energy: -5.377 bonds (distance) P-C4' energy: -3.849 flat angles C4'-P-C4' energy: -6.270 flat angles P-C4'-P energy: -4.202 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: 2 ===================================== Write number: 367 Temperature: 1.200000 Total energy: -36.589015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.589015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.589015 (E_RNA) where: Base-Base interactions energy: -10.899 where: short stacking energy: -10.899 Base-Backbone interact. energy: -0.000 local terms energy: -25.689986 where: bonds (distance) C4'-P energy: -4.764 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -4.370 flat angles P-C4'-P energy: -3.889 tors. eta vs tors. theta energy: -5.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 367 Temperature: 1.250000 Total energy: -35.036799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.036799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.036799 (E_RNA) where: Base-Base interactions energy: -12.610 where: short stacking energy: -12.610 Base-Backbone interact. energy: -0.000 local terms energy: -22.426860 where: bonds (distance) C4'-P energy: -5.696 bonds (distance) P-C4' energy: -5.677 flat angles C4'-P-C4' energy: -1.967 flat angles P-C4'-P energy: -3.588 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: 9, replica: 4 ===================================== Write number: 367 Temperature: 1.300000 Total energy: -32.790915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.790915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.790915 (E_RNA) where: Base-Base interactions energy: -10.367 where: short stacking energy: -10.367 Base-Backbone interact. energy: -0.001 local terms energy: -22.423329 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -5.595 flat angles P-C4'-P energy: -2.817 tors. eta vs tors. theta energy: -1.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 367 Temperature: 1.350000 Total energy: -28.548814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.548814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.548814 (E_RNA) where: Base-Base interactions energy: -3.854 where: short stacking energy: -3.854 Base-Backbone interact. energy: -0.098 local terms energy: -24.597343 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.998 flat angles P-C4'-P energy: -4.244 tors. eta vs tors. theta energy: -1.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 368 Temperature: 0.900000 Total energy: -39.785585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.785585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.785585 (E_RNA) where: Base-Base interactions energy: -15.223 where: short stacking energy: -15.223 Base-Backbone interact. energy: -0.021 local terms energy: -24.541091 where: bonds (distance) C4'-P energy: -3.530 bonds (distance) P-C4' energy: -6.447 flat angles C4'-P-C4' energy: -5.521 flat angles P-C4'-P energy: -4.871 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: 2, replica: 1 ===================================== Write number: 368 Temperature: 0.950000 Total energy: -37.045911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.045911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.045911 (E_RNA) where: Base-Base interactions energy: -13.395 where: short stacking energy: -13.557 Base-Backbone interact. energy: -0.003 local terms energy: -23.647701 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -5.462 flat angles P-C4'-P energy: -4.061 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: 3, replica: 5 ===================================== Write number: 368 Temperature: 1.000000 Total energy: -41.909969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.909969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.909969 (E_RNA) where: Base-Base interactions energy: -17.311 where: short stacking energy: -17.311 Base-Backbone interact. energy: -0.003 local terms energy: -24.596501 where: bonds (distance) C4'-P energy: -5.737 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -5.463 flat angles P-C4'-P energy: -4.560 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: 6 ===================================== Write number: 368 Temperature: 1.050000 Total energy: -31.561105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.561105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.561105 (E_RNA) where: Base-Base interactions energy: -7.951 where: short stacking energy: -7.951 Base-Backbone interact. energy: -0.100 local terms energy: -23.510488 where: bonds (distance) C4'-P energy: -5.137 bonds (distance) P-C4' energy: -6.389 flat angles C4'-P-C4' energy: -5.377 flat angles P-C4'-P energy: -4.042 tors. eta vs tors. theta energy: -2.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 368 Temperature: 1.100000 Total energy: -34.452535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.452535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.452535 (E_RNA) where: Base-Base interactions energy: -13.460 where: short stacking energy: -13.460 Base-Backbone interact. energy: -0.135 local terms energy: -20.857246 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -5.101 flat angles C4'-P-C4' energy: -5.885 flat angles P-C4'-P energy: -3.225 tors. eta vs tors. theta energy: -1.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 368 Temperature: 1.150000 Total energy: -31.552085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.552085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.552085 (E_RNA) where: Base-Base interactions energy: -9.000 where: short stacking energy: -9.000 Base-Backbone interact. energy: -0.060 local terms energy: -22.491413 where: bonds (distance) C4'-P energy: -4.988 bonds (distance) P-C4' energy: -5.837 flat angles C4'-P-C4' energy: -6.028 flat angles P-C4'-P energy: -4.973 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: 7, replica: 9 ===================================== Write number: 368 Temperature: 1.200000 Total energy: -31.405385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.405385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.405385 (E_RNA) where: Base-Base interactions energy: -8.471 where: short stacking energy: -9.336 Base-Backbone interact. energy: 0.566 local terms energy: -23.500840 where: bonds (distance) C4'-P energy: -5.617 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -5.415 flat angles P-C4'-P energy: -4.599 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: 8, replica: 2 ===================================== Write number: 368 Temperature: 1.250000 Total energy: -28.469498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.469498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.469498 (E_RNA) where: Base-Base interactions energy: -8.183 where: short stacking energy: -8.183 Base-Backbone interact. energy: -0.061 local terms energy: -20.225774 where: bonds (distance) C4'-P energy: -4.888 bonds (distance) P-C4' energy: -6.622 flat angles C4'-P-C4' energy: -3.435 flat angles P-C4'-P energy: -3.105 tors. eta vs tors. theta energy: -2.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 368 Temperature: 1.300000 Total energy: -28.899170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.899170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.899170 (E_RNA) where: Base-Base interactions energy: -8.644 where: short stacking energy: -8.644 Base-Backbone interact. energy: -0.081 local terms energy: -20.174313 where: bonds (distance) C4'-P energy: -4.797 bonds (distance) P-C4' energy: -5.837 flat angles C4'-P-C4' energy: -6.026 flat angles P-C4'-P energy: -1.957 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: 10, replica: 4 ===================================== Write number: 368 Temperature: 1.350000 Total energy: -24.973903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.973903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.973903 (E_RNA) where: Base-Base interactions energy: -4.831 where: short stacking energy: -4.831 Base-Backbone interact. energy: -0.001 local terms energy: -20.142564 where: bonds (distance) C4'-P energy: -4.115 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -3.586 flat angles P-C4'-P energy: -2.505 tors. eta vs tors. theta energy: -3.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 369 Temperature: 0.900000 Total energy: -38.875136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.875136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.875136 (E_RNA) where: Base-Base interactions energy: -13.792 where: short stacking energy: -13.892 Base-Backbone interact. energy: -0.002 local terms energy: -25.080839 where: bonds (distance) C4'-P energy: -4.839 bonds (distance) P-C4' energy: -5.635 flat angles C4'-P-C4' energy: -6.255 flat angles P-C4'-P energy: -4.820 tors. eta vs tors. theta energy: -3.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 369 Temperature: 0.950000 Total energy: -41.561051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.561051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.561051 (E_RNA) where: Base-Base interactions energy: -16.279 where: short stacking energy: -16.279 Base-Backbone interact. energy: -0.000 local terms energy: -25.281773 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -5.892 flat angles C4'-P-C4' energy: -5.520 flat angles P-C4'-P energy: -3.966 tors. eta vs tors. theta energy: -3.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 369 Temperature: 1.000000 Total energy: -39.823687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.823687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.823687 (E_RNA) where: Base-Base interactions energy: -14.859 where: short stacking energy: -14.859 Base-Backbone interact. energy: -0.000 local terms energy: -24.964238 where: bonds (distance) C4'-P energy: -4.872 bonds (distance) P-C4' energy: -6.442 flat angles C4'-P-C4' energy: -5.779 flat angles P-C4'-P energy: -3.876 tors. eta vs tors. theta energy: -3.995 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: 369 Temperature: 1.050000 Total energy: -39.128235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.128235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.128235 (E_RNA) where: Base-Base interactions energy: -14.707 where: short stacking energy: -15.067 Base-Backbone interact. energy: -0.000 local terms energy: -24.421137 where: bonds (distance) C4'-P energy: -4.169 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -6.346 flat angles P-C4'-P energy: -4.112 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: 5, replica: 6 ===================================== Write number: 369 Temperature: 1.100000 Total energy: -34.105320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.105320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.105320 (E_RNA) where: Base-Base interactions energy: -13.969 where: short stacking energy: -13.969 Base-Backbone interact. energy: -0.015 local terms energy: -20.121077 where: bonds (distance) C4'-P energy: -3.096 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -4.247 flat angles P-C4'-P energy: -3.560 tors. eta vs tors. theta energy: -3.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 369 Temperature: 1.150000 Total energy: -31.363154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.363154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.363154 (E_RNA) where: Base-Base interactions energy: -8.905 where: short stacking energy: -8.905 Base-Backbone interact. energy: -0.000 local terms energy: -22.458045 where: bonds (distance) C4'-P energy: -3.717 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -4.989 flat angles P-C4'-P energy: -4.151 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: 7, replica: 10 ===================================== Write number: 369 Temperature: 1.200000 Total energy: -32.720791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.720791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.720791 (E_RNA) where: Base-Base interactions energy: -10.379 where: short stacking energy: -10.379 Base-Backbone interact. energy: -0.001 local terms energy: -22.341043 where: bonds (distance) C4'-P energy: -5.882 bonds (distance) P-C4' energy: -5.110 flat angles C4'-P-C4' energy: -6.397 flat angles P-C4'-P energy: -5.042 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: 8, replica: 3 ===================================== Write number: 369 Temperature: 1.250000 Total energy: -31.253842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.253842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.253842 (E_RNA) where: Base-Base interactions energy: -9.413 where: short stacking energy: -9.413 Base-Backbone interact. energy: -0.001 local terms energy: -21.839093 where: bonds (distance) C4'-P energy: -5.543 bonds (distance) P-C4' energy: -5.364 flat angles C4'-P-C4' energy: -5.758 flat angles P-C4'-P energy: -3.532 tors. eta vs tors. theta energy: -1.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 369 Temperature: 1.300000 Total energy: -29.449827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.449827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.449827 (E_RNA) where: Base-Base interactions energy: -8.910 where: short stacking energy: -8.910 Base-Backbone interact. energy: -0.002 local terms energy: -20.537991 where: bonds (distance) C4'-P energy: -4.487 bonds (distance) P-C4' energy: -5.767 flat angles C4'-P-C4' energy: -5.588 flat angles P-C4'-P energy: -5.401 tors. eta vs tors. theta energy: 0.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 369 Temperature: 1.350000 Total energy: -30.193341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.193341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.193341 (E_RNA) where: Base-Base interactions energy: -11.601 where: short stacking energy: -11.601 Base-Backbone interact. energy: -0.082 local terms energy: -18.510168 where: bonds (distance) C4'-P energy: -5.688 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -3.116 flat angles P-C4'-P energy: -1.559 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: 1, replica: 5 ===================================== Write number: 370 Temperature: 0.900000 Total energy: -41.414233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.414233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.414233 (E_RNA) where: Base-Base interactions energy: -16.163 where: short stacking energy: -16.163 Base-Backbone interact. energy: -0.005 local terms energy: -25.246754 where: bonds (distance) C4'-P energy: -5.473 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -4.686 flat angles P-C4'-P energy: -5.107 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: 2, replica: 8 ===================================== Write number: 370 Temperature: 0.950000 Total energy: -34.012216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.012216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.012216 (E_RNA) where: Base-Base interactions energy: -12.976 where: short stacking energy: -13.230 Base-Backbone interact. energy: -0.097 local terms energy: -20.939128 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -3.009 flat angles P-C4'-P energy: -3.616 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: 3, replica: 7 ===================================== Write number: 370 Temperature: 1.000000 Total energy: -33.862538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.862538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.862538 (E_RNA) where: Base-Base interactions energy: -9.891 where: short stacking energy: -9.891 Base-Backbone interact. energy: -0.097 local terms energy: -23.875407 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -5.862 flat angles P-C4'-P energy: -4.866 tors. eta vs tors. theta energy: -1.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 370 Temperature: 1.050000 Total energy: -40.222197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.222197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.222197 (E_RNA) where: Base-Base interactions energy: -13.774 where: short stacking energy: -13.774 Base-Backbone interact. energy: -0.000 local terms energy: -26.448278 where: bonds (distance) C4'-P energy: -3.671 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -5.443 flat angles P-C4'-P energy: -4.445 tors. eta vs tors. theta energy: -5.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 370 Temperature: 1.100000 Total energy: -37.027577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.027577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.027577 (E_RNA) where: Base-Base interactions energy: -12.644 where: short stacking energy: -12.644 Base-Backbone interact. energy: -0.000 local terms energy: -24.383578 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -5.594 flat angles C4'-P-C4' energy: -6.165 flat angles P-C4'-P energy: -4.827 tors. eta vs tors. theta energy: -1.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 370 Temperature: 1.150000 Total energy: -34.788733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.788733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.788733 (E_RNA) where: Base-Base interactions energy: -13.151 where: short stacking energy: -13.151 Base-Backbone interact. energy: -0.044 local terms energy: -21.594138 where: bonds (distance) C4'-P energy: -5.953 bonds (distance) P-C4' energy: -5.705 flat angles C4'-P-C4' energy: -5.289 flat angles P-C4'-P energy: -4.364 tors. eta vs tors. theta energy: -0.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 370 Temperature: 1.200000 Total energy: -32.685439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.685439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.685439 (E_RNA) where: Base-Base interactions energy: -9.299 where: short stacking energy: -9.299 Base-Backbone interact. energy: -0.001 local terms energy: -23.384887 where: bonds (distance) C4'-P energy: -4.016 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -5.745 flat angles P-C4'-P energy: -4.723 tors. eta vs tors. theta energy: -2.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 370 Temperature: 1.250000 Total energy: -34.629154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.629154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.629154 (E_RNA) where: Base-Base interactions energy: -12.418 where: short stacking energy: -12.418 Base-Backbone interact. energy: -0.082 local terms energy: -22.129512 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -4.585 flat angles P-C4'-P energy: -3.042 tors. eta vs tors. theta energy: -1.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 370 Temperature: 1.300000 Total energy: -29.542120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.542120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.542120 (E_RNA) where: Base-Base interactions energy: -7.177 where: short stacking energy: -7.177 Base-Backbone interact. energy: -0.010 local terms energy: -22.355027 where: bonds (distance) C4'-P energy: -4.107 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -5.976 flat angles P-C4'-P energy: -2.670 tors. eta vs tors. theta energy: -3.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 370 Temperature: 1.350000 Total energy: -32.768597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.768597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.768597 (E_RNA) where: Base-Base interactions energy: -10.018 where: short stacking energy: -10.018 Base-Backbone interact. energy: -0.004 local terms energy: -22.746040 where: bonds (distance) C4'-P energy: -4.756 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -6.349 flat angles P-C4'-P energy: -3.548 tors. eta vs tors. theta energy: -1.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 371 Temperature: 0.900000 Total energy: -39.774051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.774051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.774051 (E_RNA) where: Base-Base interactions energy: -17.863 where: short stacking energy: -17.863 Base-Backbone interact. energy: -0.001 local terms energy: -21.909755 where: bonds (distance) C4'-P energy: -3.857 bonds (distance) P-C4' energy: -5.678 flat angles C4'-P-C4' energy: -6.211 flat angles P-C4'-P energy: -4.453 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: 2, replica: 7 ===================================== Write number: 371 Temperature: 0.950000 Total energy: -37.566878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.566878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.566878 (E_RNA) where: Base-Base interactions energy: -13.400 where: short stacking energy: -13.400 Base-Backbone interact. energy: -0.001 local terms energy: -24.165777 where: bonds (distance) C4'-P energy: -5.456 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -5.761 flat angles P-C4'-P energy: -2.534 tors. eta vs tors. theta energy: -3.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 371 Temperature: 1.000000 Total energy: -39.780389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.780389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.780389 (E_RNA) where: Base-Base interactions energy: -13.168 where: short stacking energy: -13.168 Base-Backbone interact. energy: -0.007 local terms energy: -26.605351 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -6.181 flat angles P-C4'-P energy: -5.309 tors. eta vs tors. theta energy: -3.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 371 Temperature: 1.050000 Total energy: -34.700829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.700829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.700829 (E_RNA) where: Base-Base interactions energy: -10.229 where: short stacking energy: -10.229 Base-Backbone interact. energy: -0.041 local terms energy: -24.431121 where: bonds (distance) C4'-P energy: -5.982 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.764 flat angles P-C4'-P energy: -2.960 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: 5, replica: 1 ===================================== Write number: 371 Temperature: 1.100000 Total energy: -36.327516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.327516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.327516 (E_RNA) where: Base-Base interactions energy: -11.715 where: short stacking energy: -11.715 Base-Backbone interact. energy: -0.000 local terms energy: -24.612899 where: bonds (distance) C4'-P energy: -4.988 bonds (distance) P-C4' energy: -6.156 flat angles C4'-P-C4' energy: -5.975 flat angles P-C4'-P energy: -3.404 tors. eta vs tors. theta energy: -4.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 371 Temperature: 1.150000 Total energy: -33.264998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.264998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.264998 (E_RNA) where: Base-Base interactions energy: -9.526 where: short stacking energy: -9.526 Base-Backbone interact. energy: -0.098 local terms energy: -23.641249 where: bonds (distance) C4'-P energy: -6.370 bonds (distance) P-C4' energy: -6.199 flat angles C4'-P-C4' energy: -6.215 flat angles P-C4'-P energy: -3.586 tors. eta vs tors. theta energy: -1.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 371 Temperature: 1.200000 Total energy: -36.037168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.037168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.037168 (E_RNA) where: Base-Base interactions energy: -10.619 where: short stacking energy: -10.619 Base-Backbone interact. energy: -0.049 local terms energy: -25.369884 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -5.548 flat angles P-C4'-P energy: -3.082 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: 4 ===================================== Write number: 371 Temperature: 1.250000 Total energy: -29.273076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.273076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.273076 (E_RNA) where: Base-Base interactions energy: -5.888 where: short stacking energy: -5.888 Base-Backbone interact. energy: -0.007 local terms energy: -23.378231 where: bonds (distance) C4'-P energy: -4.532 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.619 flat angles P-C4'-P energy: -4.577 tors. eta vs tors. theta energy: -1.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 371 Temperature: 1.300000 Total energy: -29.404321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.404321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.404321 (E_RNA) where: Base-Base interactions energy: -6.803 where: short stacking energy: -6.803 Base-Backbone interact. energy: -0.003 local terms energy: -22.598565 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.583 flat angles P-C4'-P energy: -3.349 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: 2 ===================================== Write number: 371 Temperature: 1.350000 Total energy: -29.862817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.862817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.862817 (E_RNA) where: Base-Base interactions energy: -11.725 where: short stacking energy: -11.725 Base-Backbone interact. energy: -0.003 local terms energy: -18.134664 where: bonds (distance) C4'-P energy: -2.074 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -5.977 flat angles P-C4'-P energy: -3.899 tors. eta vs tors. theta energy: 0.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 372 Temperature: 0.900000 Total energy: -40.351887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.351887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.351887 (E_RNA) where: Base-Base interactions energy: -13.115 where: short stacking energy: -13.115 Base-Backbone interact. energy: -0.000 local terms energy: -27.236573 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -6.389 flat angles C4'-P-C4' energy: -6.400 flat angles P-C4'-P energy: -4.376 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: 2, replica: 7 ===================================== Write number: 372 Temperature: 0.950000 Total energy: -34.579436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.579436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.579436 (E_RNA) where: Base-Base interactions energy: -12.365 where: short stacking energy: -12.365 Base-Backbone interact. energy: -0.059 local terms energy: -22.155140 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -5.043 flat angles P-C4'-P energy: -4.779 tors. eta vs tors. theta energy: -0.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 372 Temperature: 1.000000 Total energy: -37.750502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.750502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.750502 (E_RNA) where: Base-Base interactions energy: -16.206 where: short stacking energy: -16.206 Base-Backbone interact. energy: -0.000 local terms energy: -21.544428 where: bonds (distance) C4'-P energy: -3.858 bonds (distance) P-C4' energy: -3.913 flat angles C4'-P-C4' energy: -6.136 flat angles P-C4'-P energy: -2.965 tors. eta vs tors. theta energy: -4.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 372 Temperature: 1.050000 Total energy: -36.063904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.063904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.063904 (E_RNA) where: Base-Base interactions energy: -12.501 where: short stacking energy: -12.501 Base-Backbone interact. energy: -0.095 local terms energy: -23.467539 where: bonds (distance) C4'-P energy: -5.837 bonds (distance) P-C4' energy: -5.594 flat angles C4'-P-C4' energy: -3.802 flat angles P-C4'-P energy: -5.029 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: 5, replica: 3 ===================================== Write number: 372 Temperature: 1.100000 Total energy: -32.805017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.805017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.805017 (E_RNA) where: Base-Base interactions energy: -11.703 where: short stacking energy: -11.703 Base-Backbone interact. energy: -0.102 local terms energy: -21.000199 where: bonds (distance) C4'-P energy: -4.967 bonds (distance) P-C4' energy: -5.103 flat angles C4'-P-C4' energy: -5.626 flat angles P-C4'-P energy: -3.481 tors. eta vs tors. theta energy: -1.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 372 Temperature: 1.150000 Total energy: -31.064622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.064622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.064622 (E_RNA) where: Base-Base interactions energy: -6.932 where: short stacking energy: -6.932 Base-Backbone interact. energy: -0.001 local terms energy: -24.131934 where: bonds (distance) C4'-P energy: -4.399 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -5.398 flat angles P-C4'-P energy: -3.156 tors. eta vs tors. theta energy: -4.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 372 Temperature: 1.200000 Total energy: -31.873164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.873164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.873164 (E_RNA) where: Base-Base interactions energy: -12.748 where: short stacking energy: -12.748 Base-Backbone interact. energy: -0.000 local terms energy: -19.124670 where: bonds (distance) C4'-P energy: -5.091 bonds (distance) P-C4' energy: -5.582 flat angles C4'-P-C4' energy: -3.772 flat angles P-C4'-P energy: -3.966 tors. eta vs tors. theta energy: -0.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 372 Temperature: 1.250000 Total energy: -33.817665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.817665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.817665 (E_RNA) where: Base-Base interactions energy: -13.874 where: short stacking energy: -13.874 Base-Backbone interact. energy: -0.001 local terms energy: -19.943209 where: bonds (distance) C4'-P energy: -4.276 bonds (distance) P-C4' energy: -5.113 flat angles C4'-P-C4' energy: -3.540 flat angles P-C4'-P energy: -4.666 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: 9, replica: 2 ===================================== Write number: 372 Temperature: 1.300000 Total energy: -39.290292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.290292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.290292 (E_RNA) where: Base-Base interactions energy: -12.312 where: short stacking energy: -12.312 Base-Backbone interact. energy: -0.000 local terms energy: -26.977786 where: bonds (distance) C4'-P energy: -3.430 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -4.500 flat angles P-C4'-P energy: -4.907 tors. eta vs tors. theta energy: -7.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 372 Temperature: 1.350000 Total energy: -27.712678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.712678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.712678 (E_RNA) where: Base-Base interactions energy: -4.227 where: short stacking energy: -4.227 Base-Backbone interact. energy: -0.104 local terms energy: -23.382252 where: bonds (distance) C4'-P energy: -5.766 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.892 flat angles P-C4'-P energy: -4.189 tors. eta vs tors. theta energy: -0.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 373 Temperature: 0.900000 Total energy: -41.277120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.277120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.277120 (E_RNA) where: Base-Base interactions energy: -15.279 where: short stacking energy: -15.279 Base-Backbone interact. energy: -0.013 local terms energy: -25.985126 where: bonds (distance) C4'-P energy: -5.241 bonds (distance) P-C4' energy: -6.361 flat angles C4'-P-C4' energy: -4.645 flat angles P-C4'-P energy: -5.459 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: 2, replica: 9 ===================================== Write number: 373 Temperature: 0.950000 Total energy: -35.901930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.901930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.901930 (E_RNA) where: Base-Base interactions energy: -12.220 where: short stacking energy: -12.220 Base-Backbone interact. energy: -0.091 local terms energy: -23.591277 where: bonds (distance) C4'-P energy: -4.471 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -6.470 flat angles P-C4'-P energy: -3.760 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: 3, replica: 7 ===================================== Write number: 373 Temperature: 1.000000 Total energy: -39.246111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.246111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.246111 (E_RNA) where: Base-Base interactions energy: -13.708 where: short stacking energy: -13.708 Base-Backbone interact. energy: -0.000 local terms energy: -25.537801 where: bonds (distance) C4'-P energy: -4.619 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.237 flat angles P-C4'-P energy: -3.676 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: 4, replica: 3 ===================================== Write number: 373 Temperature: 1.050000 Total energy: -31.520228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.520228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.520228 (E_RNA) where: Base-Base interactions energy: -10.990 where: short stacking energy: -10.990 Base-Backbone interact. energy: -0.011 local terms energy: -20.518873 where: bonds (distance) C4'-P energy: -6.098 bonds (distance) P-C4' energy: -5.334 flat angles C4'-P-C4' energy: -4.654 flat angles P-C4'-P energy: -4.262 tors. eta vs tors. theta energy: -0.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 373 Temperature: 1.100000 Total energy: -36.078747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.078747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.078747 (E_RNA) where: Base-Base interactions energy: -14.900 where: short stacking energy: -14.900 Base-Backbone interact. energy: -0.027 local terms energy: -21.151096 where: bonds (distance) C4'-P energy: -5.163 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -6.488 flat angles P-C4'-P energy: -2.212 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: 6, replica: 4 ===================================== Write number: 373 Temperature: 1.150000 Total energy: -35.475463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.475463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.475463 (E_RNA) where: Base-Base interactions energy: -10.536 where: short stacking energy: -10.536 Base-Backbone interact. energy: -0.000 local terms energy: -24.939308 where: bonds (distance) C4'-P energy: -6.462 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -6.413 flat angles P-C4'-P energy: -5.080 tors. eta vs tors. theta energy: -0.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 373 Temperature: 1.200000 Total energy: -31.459140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.459140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.459140 (E_RNA) where: Base-Base interactions energy: -8.704 where: short stacking energy: -8.704 Base-Backbone interact. energy: -0.003 local terms energy: -22.751350 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -6.781 flat angles P-C4'-P energy: -3.809 tors. eta vs tors. theta energy: -1.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 373 Temperature: 1.250000 Total energy: -34.359936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.359936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.359936 (E_RNA) where: Base-Base interactions energy: -10.931 where: short stacking energy: -10.931 Base-Backbone interact. energy: -0.019 local terms energy: -23.409982 where: bonds (distance) C4'-P energy: -5.721 bonds (distance) P-C4' energy: -4.349 flat angles C4'-P-C4' energy: -6.588 flat angles P-C4'-P energy: -3.985 tors. eta vs tors. theta energy: -2.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 373 Temperature: 1.300000 Total energy: -29.118305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.118305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.118305 (E_RNA) where: Base-Base interactions energy: -9.105 where: short stacking energy: -9.105 Base-Backbone interact. energy: -0.154 local terms energy: -19.858662 where: bonds (distance) C4'-P energy: -5.269 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -4.409 flat angles P-C4'-P energy: -3.905 tors. eta vs tors. theta energy: -0.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 373 Temperature: 1.350000 Total energy: -28.291482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.291482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.291482 (E_RNA) where: Base-Base interactions energy: -9.215 where: short stacking energy: -9.215 Base-Backbone interact. energy: -0.007 local terms energy: -19.069660 where: bonds (distance) C4'-P energy: -5.191 bonds (distance) P-C4' energy: -4.274 flat angles C4'-P-C4' energy: -5.275 flat angles P-C4'-P energy: -3.879 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: 1, replica: 5 ===================================== Write number: 374 Temperature: 0.900000 Total energy: -42.293853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.293853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.293853 (E_RNA) where: Base-Base interactions energy: -16.256 where: short stacking energy: -16.256 Base-Backbone interact. energy: -0.000 local terms energy: -26.037838 where: bonds (distance) C4'-P energy: -4.967 bonds (distance) P-C4' energy: -6.417 flat angles C4'-P-C4' energy: -6.099 flat angles P-C4'-P energy: -4.473 tors. eta vs tors. theta energy: -4.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 374 Temperature: 0.950000 Total energy: -38.436643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.436643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.436643 (E_RNA) where: Base-Base interactions energy: -12.172 where: short stacking energy: -12.172 Base-Backbone interact. energy: -0.000 local terms energy: -26.264995 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -5.411 flat angles P-C4'-P energy: -3.599 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: 3, replica: 7 ===================================== Write number: 374 Temperature: 1.000000 Total energy: -40.171573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.171573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.171573 (E_RNA) where: Base-Base interactions energy: -14.842 where: short stacking energy: -14.842 Base-Backbone interact. energy: -0.000 local terms energy: -25.329535 where: bonds (distance) C4'-P energy: -5.456 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.402 flat angles P-C4'-P energy: -4.256 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: 4, replica: 3 ===================================== Write number: 374 Temperature: 1.050000 Total energy: -39.795362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.795362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.795362 (E_RNA) where: Base-Base interactions energy: -15.896 where: short stacking energy: -15.896 Base-Backbone interact. energy: -0.004 local terms energy: -23.895089 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -6.022 flat angles P-C4'-P energy: -2.388 tors. eta vs tors. theta energy: -2.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 374 Temperature: 1.100000 Total energy: -34.737740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.737740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.737740 (E_RNA) where: Base-Base interactions energy: -11.579 where: short stacking energy: -11.579 Base-Backbone interact. energy: -0.000 local terms energy: -23.158593 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -5.078 flat angles C4'-P-C4' energy: -4.368 flat angles P-C4'-P energy: -4.487 tors. eta vs tors. theta energy: -3.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 374 Temperature: 1.150000 Total energy: -31.402012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.402012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.402012 (E_RNA) where: Base-Base interactions energy: -9.067 where: short stacking energy: -9.067 Base-Backbone interact. energy: -0.000 local terms energy: -22.335115 where: bonds (distance) C4'-P energy: -4.859 bonds (distance) P-C4' energy: -6.622 flat angles C4'-P-C4' energy: -5.412 flat angles P-C4'-P energy: -2.384 tors. eta vs tors. theta energy: -3.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 374 Temperature: 1.200000 Total energy: -29.884491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.884491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.884491 (E_RNA) where: Base-Base interactions energy: -9.900 where: short stacking energy: -9.900 Base-Backbone interact. energy: -0.122 local terms energy: -19.862415 where: bonds (distance) C4'-P energy: -5.348 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -5.047 flat angles P-C4'-P energy: -2.565 tors. eta vs tors. theta energy: -0.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 374 Temperature: 1.250000 Total energy: -29.536004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.536004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.536004 (E_RNA) where: Base-Base interactions energy: -8.364 where: short stacking energy: -8.364 Base-Backbone interact. energy: -0.000 local terms energy: -21.171977 where: bonds (distance) C4'-P energy: -5.220 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -6.020 flat angles P-C4'-P energy: -0.510 tors. eta vs tors. theta energy: -2.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 374 Temperature: 1.300000 Total energy: -28.933092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.933092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.933092 (E_RNA) where: Base-Base interactions energy: -6.421 where: short stacking energy: -6.421 Base-Backbone interact. energy: -0.000 local terms energy: -22.511903 where: bonds (distance) C4'-P energy: -5.998 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -4.376 flat angles P-C4'-P energy: -2.457 tors. eta vs tors. theta energy: -2.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 374 Temperature: 1.350000 Total energy: -28.790416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.790416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.790416 (E_RNA) where: Base-Base interactions energy: -9.441 where: short stacking energy: -9.441 Base-Backbone interact. energy: -0.188 local terms energy: -19.162007 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -4.271 flat angles P-C4'-P energy: -3.717 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: 5 ===================================== Write number: 375 Temperature: 0.900000 Total energy: -40.387097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.387097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.387097 (E_RNA) where: Base-Base interactions energy: -13.754 where: short stacking energy: -13.754 Base-Backbone interact. energy: -0.073 local terms energy: -26.559576 where: bonds (distance) C4'-P energy: -5.269 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -6.102 flat angles P-C4'-P energy: -4.792 tors. eta vs tors. theta energy: -3.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 375 Temperature: 0.950000 Total energy: -42.382516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.382516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.382516 (E_RNA) where: Base-Base interactions energy: -16.652 where: short stacking energy: -16.652 Base-Backbone interact. energy: -0.012 local terms energy: -25.718342 where: bonds (distance) C4'-P energy: -6.462 bonds (distance) P-C4' energy: -6.181 flat angles C4'-P-C4' energy: -4.513 flat angles P-C4'-P energy: -4.327 tors. eta vs tors. theta energy: -4.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 375 Temperature: 1.000000 Total energy: -37.597479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.597479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.597479 (E_RNA) where: Base-Base interactions energy: -14.077 where: short stacking energy: -14.077 Base-Backbone interact. energy: -0.000 local terms energy: -23.520684 where: bonds (distance) C4'-P energy: -5.241 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -4.619 flat angles P-C4'-P energy: -4.475 tors. eta vs tors. theta energy: -2.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 375 Temperature: 1.050000 Total energy: -36.920081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.920081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.920081 (E_RNA) where: Base-Base interactions energy: -15.128 where: short stacking energy: -15.128 Base-Backbone interact. energy: -0.050 local terms energy: -21.741882 where: bonds (distance) C4'-P energy: -2.615 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -3.217 flat angles P-C4'-P energy: -4.934 tors. eta vs tors. theta energy: -4.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 375 Temperature: 1.100000 Total energy: -42.979985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.979985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.979985 (E_RNA) where: Base-Base interactions energy: -15.740 where: short stacking energy: -15.740 Base-Backbone interact. energy: -0.000 local terms energy: -27.240351 where: bonds (distance) C4'-P energy: -5.473 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -5.620 flat angles P-C4'-P energy: -3.969 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: 6, replica: 2 ===================================== Write number: 375 Temperature: 1.150000 Total energy: -30.879742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.879742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.879742 (E_RNA) where: Base-Base interactions energy: -8.496 where: short stacking energy: -8.496 Base-Backbone interact. energy: -0.088 local terms energy: -22.295506 where: bonds (distance) C4'-P energy: -4.508 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -3.824 flat angles P-C4'-P energy: -4.757 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: 7, replica: 8 ===================================== Write number: 375 Temperature: 1.200000 Total energy: -29.660133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.660133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.660133 (E_RNA) where: Base-Base interactions energy: -8.356 where: short stacking energy: -8.356 Base-Backbone interact. energy: -0.012 local terms energy: -21.291987 where: bonds (distance) C4'-P energy: -5.766 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.290 flat angles P-C4'-P energy: -4.528 tors. eta vs tors. theta energy: 1.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 375 Temperature: 1.250000 Total energy: -32.424057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.424057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.424057 (E_RNA) where: Base-Base interactions energy: -9.809 where: short stacking energy: -9.809 Base-Backbone interact. energy: -0.000 local terms energy: -22.615236 where: bonds (distance) C4'-P energy: -3.912 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -4.807 flat angles P-C4'-P energy: -4.021 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: 9, replica: 1 ===================================== Write number: 375 Temperature: 1.300000 Total energy: -29.217821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.217821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.217821 (E_RNA) where: Base-Base interactions energy: -8.988 where: short stacking energy: -8.988 Base-Backbone interact. energy: -0.056 local terms energy: -20.173425 where: bonds (distance) C4'-P energy: -5.348 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -5.253 flat angles P-C4'-P energy: -4.721 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: 6 ===================================== Write number: 375 Temperature: 1.350000 Total energy: -29.101585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.101585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.101585 (E_RNA) where: Base-Base interactions energy: -4.750 where: short stacking energy: -4.750 Base-Backbone interact. energy: -0.011 local terms energy: -24.340676 where: bonds (distance) C4'-P energy: -3.572 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -6.240 flat angles P-C4'-P energy: -4.617 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: 1, replica: 5 ===================================== Write number: 376 Temperature: 0.900000 Total energy: -38.193697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.193697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.193697 (E_RNA) where: Base-Base interactions energy: -17.463 where: short stacking energy: -17.463 Base-Backbone interact. energy: -0.249 local terms energy: -20.481050 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -4.286 flat angles C4'-P-C4' energy: -4.711 flat angles P-C4'-P energy: -4.889 tors. eta vs tors. theta energy: -0.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 376 Temperature: 0.950000 Total energy: -39.412239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.412239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.412239 (E_RNA) where: Base-Base interactions energy: -13.658 where: short stacking energy: -13.658 Base-Backbone interact. energy: -0.084 local terms energy: -25.669764 where: bonds (distance) C4'-P energy: -6.105 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.926 flat angles P-C4'-P energy: -4.226 tors. eta vs tors. theta energy: -2.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 376 Temperature: 1.000000 Total energy: -38.269200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.269200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.269200 (E_RNA) where: Base-Base interactions energy: -15.585 where: short stacking energy: -15.685 Base-Backbone interact. energy: -0.194 local terms energy: -22.490943 where: bonds (distance) C4'-P energy: -5.866 bonds (distance) P-C4' energy: -5.305 flat angles C4'-P-C4' energy: -3.877 flat angles P-C4'-P energy: -3.347 tors. eta vs tors. theta energy: -4.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 376 Temperature: 1.050000 Total energy: -32.485570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.485570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.485570 (E_RNA) where: Base-Base interactions energy: -9.758 where: short stacking energy: -9.758 Base-Backbone interact. energy: -0.001 local terms energy: -22.725984 where: bonds (distance) C4'-P energy: -3.484 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -5.579 flat angles P-C4'-P energy: -4.127 tors. eta vs tors. theta energy: -2.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 376 Temperature: 1.100000 Total energy: -33.107057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.107057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.107057 (E_RNA) where: Base-Base interactions energy: -11.617 where: short stacking energy: -11.617 Base-Backbone interact. energy: -0.001 local terms energy: -21.488850 where: bonds (distance) C4'-P energy: -5.411 bonds (distance) P-C4' energy: -6.628 flat angles C4'-P-C4' energy: -6.326 flat angles P-C4'-P energy: -3.317 tors. eta vs tors. theta energy: 0.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 376 Temperature: 1.150000 Total energy: -31.948947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.948947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.948947 (E_RNA) where: Base-Base interactions energy: -12.104 where: short stacking energy: -12.175 Base-Backbone interact. energy: -0.086 local terms energy: -19.758614 where: bonds (distance) C4'-P energy: -3.841 bonds (distance) P-C4' energy: -5.886 flat angles C4'-P-C4' energy: -3.540 flat angles P-C4'-P energy: -4.305 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: 7, replica: 8 ===================================== Write number: 376 Temperature: 1.200000 Total energy: -33.331270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.331270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.331270 (E_RNA) where: Base-Base interactions energy: -12.302 where: short stacking energy: -12.302 Base-Backbone interact. energy: -0.122 local terms energy: -20.907472 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -5.600 flat angles C4'-P-C4' energy: -4.550 flat angles P-C4'-P energy: -3.345 tors. eta vs tors. theta energy: -2.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 376 Temperature: 1.250000 Total energy: -30.584176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.584176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.584176 (E_RNA) where: Base-Base interactions energy: -10.751 where: short stacking energy: -10.751 Base-Backbone interact. energy: -0.084 local terms energy: -19.749141 where: bonds (distance) C4'-P energy: -5.348 bonds (distance) P-C4' energy: -5.152 flat angles C4'-P-C4' energy: -5.588 flat angles P-C4'-P energy: -2.610 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: 9, replica: 6 ===================================== Write number: 376 Temperature: 1.300000 Total energy: -27.771735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.771735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.771735 (E_RNA) where: Base-Base interactions energy: -7.564 where: short stacking energy: -7.564 Base-Backbone interact. energy: -0.007 local terms energy: -20.201122 where: bonds (distance) C4'-P energy: -4.748 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -4.986 flat angles P-C4'-P energy: -3.984 tors. eta vs tors. theta energy: 0.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 376 Temperature: 1.350000 Total energy: -28.956617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.956617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.956617 (E_RNA) where: Base-Base interactions energy: -10.006 where: short stacking energy: -10.006 Base-Backbone interact. energy: -0.100 local terms energy: -18.850418 where: bonds (distance) C4'-P energy: -3.212 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -4.789 flat angles P-C4'-P energy: -3.630 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: 5 ===================================== Write number: 377 Temperature: 0.900000 Total energy: -37.176027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.176027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.176027 (E_RNA) where: Base-Base interactions energy: -12.689 where: short stacking energy: -12.689 Base-Backbone interact. energy: -0.000 local terms energy: -24.487160 where: bonds (distance) C4'-P energy: -5.721 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -5.077 flat angles P-C4'-P energy: -3.272 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: 2, replica: 4 ===================================== Write number: 377 Temperature: 0.950000 Total energy: -37.432343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.432343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.432343 (E_RNA) where: Base-Base interactions energy: -13.524 where: short stacking energy: -13.524 Base-Backbone interact. energy: -0.000 local terms energy: -23.908209 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -5.438 flat angles C4'-P-C4' energy: -4.588 flat angles P-C4'-P energy: -3.804 tors. eta vs tors. theta energy: -4.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 377 Temperature: 1.000000 Total energy: -38.168402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.168402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.168402 (E_RNA) where: Base-Base interactions energy: -12.912 where: short stacking energy: -12.912 Base-Backbone interact. energy: -0.000 local terms energy: -25.256154 where: bonds (distance) C4'-P energy: -5.766 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.395 flat angles P-C4'-P energy: -4.125 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: 2 ===================================== Write number: 377 Temperature: 1.050000 Total energy: -34.853273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.853273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.853273 (E_RNA) where: Base-Base interactions energy: -10.435 where: short stacking energy: -10.435 Base-Backbone interact. energy: -0.009 local terms energy: -24.409854 where: bonds (distance) C4'-P energy: -3.183 bonds (distance) P-C4' energy: -5.723 flat angles C4'-P-C4' energy: -6.236 flat angles P-C4'-P energy: -5.126 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: 5, replica: 9 ===================================== Write number: 377 Temperature: 1.100000 Total energy: -35.022472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.022472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.022472 (E_RNA) where: Base-Base interactions energy: -12.291 where: short stacking energy: -12.291 Base-Backbone interact. energy: -0.033 local terms energy: -22.699027 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -4.442 flat angles P-C4'-P energy: -4.118 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: 6, replica: 8 ===================================== Write number: 377 Temperature: 1.150000 Total energy: -38.248051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.248051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.248051 (E_RNA) where: Base-Base interactions energy: -12.529 where: short stacking energy: -12.529 Base-Backbone interact. energy: -0.000 local terms energy: -25.719527 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -4.622 flat angles P-C4'-P energy: -3.679 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: 7, replica: 3 ===================================== Write number: 377 Temperature: 1.200000 Total energy: -33.804480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.804480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.804480 (E_RNA) where: Base-Base interactions energy: -14.378 where: short stacking energy: -14.378 Base-Backbone interact. energy: -0.072 local terms energy: -19.354300 where: bonds (distance) C4'-P energy: -3.319 bonds (distance) P-C4' energy: -3.929 flat angles C4'-P-C4' energy: -6.381 flat angles P-C4'-P energy: -3.374 tors. eta vs tors. theta energy: -2.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 377 Temperature: 1.250000 Total energy: -31.977362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.977362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.977362 (E_RNA) where: Base-Base interactions energy: -9.248 where: short stacking energy: -9.248 Base-Backbone interact. energy: -0.005 local terms energy: -22.724036 where: bonds (distance) C4'-P energy: -3.423 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -5.520 flat angles P-C4'-P energy: -4.391 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: 9, replica: 6 ===================================== Write number: 377 Temperature: 1.300000 Total energy: -33.482241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.482241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.482241 (E_RNA) where: Base-Base interactions energy: -11.819 where: short stacking energy: -11.819 Base-Backbone interact. energy: 0.072 local terms energy: -21.735426 where: bonds (distance) C4'-P energy: -5.191 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -4.029 flat angles P-C4'-P energy: -3.144 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: 10, replica: 1 ===================================== Write number: 377 Temperature: 1.350000 Total energy: -30.352330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.352330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.352330 (E_RNA) where: Base-Base interactions energy: -9.765 where: short stacking energy: -9.765 Base-Backbone interact. energy: -0.045 local terms energy: -20.542222 where: bonds (distance) C4'-P energy: -5.357 bonds (distance) P-C4' energy: -5.889 flat angles C4'-P-C4' energy: -4.663 flat angles P-C4'-P energy: -4.298 tors. eta vs tors. theta energy: -0.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 378 Temperature: 0.900000 Total energy: -39.876699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.876699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.876699 (E_RNA) where: Base-Base interactions energy: -13.423 where: short stacking energy: -13.423 Base-Backbone interact. energy: -0.000 local terms energy: -26.453595 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.502 flat angles P-C4'-P energy: -5.106 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: 2, replica: 5 ===================================== Write number: 378 Temperature: 0.950000 Total energy: -35.738156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.738156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.738156 (E_RNA) where: Base-Base interactions energy: -12.117 where: short stacking energy: -12.117 Base-Backbone interact. energy: -0.051 local terms energy: -23.569900 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -5.300 flat angles P-C4'-P energy: -5.314 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: 3, replica: 2 ===================================== Write number: 378 Temperature: 1.000000 Total energy: -37.871181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.871181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.871181 (E_RNA) where: Base-Base interactions energy: -16.178 where: short stacking energy: -16.178 Base-Backbone interact. energy: -0.002 local terms energy: -21.690938 where: bonds (distance) C4'-P energy: -4.789 bonds (distance) P-C4' energy: -5.589 flat angles C4'-P-C4' energy: -2.534 flat angles P-C4'-P energy: -4.048 tors. eta vs tors. theta energy: -4.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 378 Temperature: 1.050000 Total energy: -32.457755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.457755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.457755 (E_RNA) where: Base-Base interactions energy: -11.623 where: short stacking energy: -11.623 Base-Backbone interact. energy: -0.003 local terms energy: -20.832136 where: bonds (distance) C4'-P energy: -5.580 bonds (distance) P-C4' energy: -5.606 flat angles C4'-P-C4' energy: -3.657 flat angles P-C4'-P energy: -2.795 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: 8 ===================================== Write number: 378 Temperature: 1.100000 Total energy: -34.822950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.822950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.822950 (E_RNA) where: Base-Base interactions energy: -14.161 where: short stacking energy: -14.161 Base-Backbone interact. energy: -0.002 local terms energy: -20.659585 where: bonds (distance) C4'-P energy: -4.285 bonds (distance) P-C4' energy: -4.653 flat angles C4'-P-C4' energy: -5.536 flat angles P-C4'-P energy: -4.436 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: 6, replica: 9 ===================================== Write number: 378 Temperature: 1.150000 Total energy: -33.037797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.037797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.037797 (E_RNA) where: Base-Base interactions energy: -9.192 where: short stacking energy: -9.192 Base-Backbone interact. energy: 0.225 local terms energy: -24.070634 where: bonds (distance) C4'-P energy: -5.199 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -5.283 flat angles P-C4'-P energy: -4.583 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: 10 ===================================== Write number: 378 Temperature: 1.200000 Total energy: -30.321063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.321063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.321063 (E_RNA) where: Base-Base interactions energy: -10.054 where: short stacking energy: -10.054 Base-Backbone interact. energy: -0.255 local terms energy: -20.012875 where: bonds (distance) C4'-P energy: -5.004 bonds (distance) P-C4' energy: -4.463 flat angles C4'-P-C4' energy: -4.687 flat angles P-C4'-P energy: -4.439 tors. eta vs tors. theta energy: -1.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 378 Temperature: 1.250000 Total energy: -35.898295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.898295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.898295 (E_RNA) where: Base-Base interactions energy: -12.339 where: short stacking energy: -12.339 Base-Backbone interact. energy: -0.001 local terms energy: -23.558316 where: bonds (distance) C4'-P energy: -4.967 bonds (distance) P-C4' energy: -5.837 flat angles C4'-P-C4' energy: -4.417 flat angles P-C4'-P energy: -2.972 tors. eta vs tors. theta energy: -5.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 378 Temperature: 1.300000 Total energy: -29.912731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.912731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.912731 (E_RNA) where: Base-Base interactions energy: -9.783 where: short stacking energy: -9.783 Base-Backbone interact. energy: -0.041 local terms energy: -20.088817 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -5.594 flat angles C4'-P-C4' energy: -2.911 flat angles P-C4'-P energy: -4.920 tors. eta vs tors. theta energy: -1.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 378 Temperature: 1.350000 Total energy: -29.877274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.877274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.877274 (E_RNA) where: Base-Base interactions energy: -6.394 where: short stacking energy: -6.394 Base-Backbone interact. energy: -0.249 local terms energy: -23.234525 where: bonds (distance) C4'-P energy: -3.787 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -5.994 flat angles P-C4'-P energy: -5.259 tors. eta vs tors. theta energy: -1.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 379 Temperature: 0.900000 Total energy: -41.582683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.582683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.582683 (E_RNA) where: Base-Base interactions energy: -17.439 where: short stacking energy: -17.439 Base-Backbone interact. energy: -0.168 local terms energy: -23.975849 where: bonds (distance) C4'-P energy: -5.982 bonds (distance) P-C4' energy: -4.854 flat angles C4'-P-C4' energy: -5.836 flat angles P-C4'-P energy: -4.342 tors. eta vs tors. theta energy: -2.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 379 Temperature: 0.950000 Total energy: -42.009924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.009924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.009924 (E_RNA) where: Base-Base interactions energy: -16.579 where: short stacking energy: -16.579 Base-Backbone interact. energy: -0.000 local terms energy: -25.431249 where: bonds (distance) C4'-P energy: -5.484 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.387 flat angles P-C4'-P energy: -4.090 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: 3, replica: 5 ===================================== Write number: 379 Temperature: 1.000000 Total energy: -40.790469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.790469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.790469 (E_RNA) where: Base-Base interactions energy: -12.554 where: short stacking energy: -12.554 Base-Backbone interact. energy: -0.000 local terms energy: -28.236396 where: bonds (distance) C4'-P energy: -5.716 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -5.624 flat angles P-C4'-P energy: -4.741 tors. eta vs tors. theta energy: -5.941 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: 8 ===================================== Write number: 379 Temperature: 1.050000 Total energy: -38.105590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.105590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.105590 (E_RNA) where: Base-Base interactions energy: -14.227 where: short stacking energy: -14.227 Base-Backbone interact. energy: -0.000 local terms energy: -23.878124 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -5.150 flat angles C4'-P-C4' energy: -4.571 flat angles P-C4'-P energy: -4.971 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: 5, replica: 7 ===================================== Write number: 379 Temperature: 1.100000 Total energy: -31.558820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.558820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.558820 (E_RNA) where: Base-Base interactions energy: -12.743 where: short stacking energy: -12.743 Base-Backbone interact. energy: -0.006 local terms energy: -18.809789 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -4.712 flat angles C4'-P-C4' energy: -3.597 flat angles P-C4'-P energy: -4.143 tors. eta vs tors. theta energy: -0.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 379 Temperature: 1.150000 Total energy: -36.958352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.958352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.958352 (E_RNA) where: Base-Base interactions energy: -14.055 where: short stacking energy: -14.055 Base-Backbone interact. energy: -0.001 local terms energy: -22.902645 where: bonds (distance) C4'-P energy: -5.225 bonds (distance) P-C4' energy: -6.464 flat angles C4'-P-C4' energy: -5.130 flat angles P-C4'-P energy: -4.123 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: 10 ===================================== Write number: 379 Temperature: 1.200000 Total energy: -35.511715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.511715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.511715 (E_RNA) where: Base-Base interactions energy: -11.305 where: short stacking energy: -11.305 Base-Backbone interact. energy: -0.075 local terms energy: -24.131759 where: bonds (distance) C4'-P energy: -5.029 bonds (distance) P-C4' energy: -6.174 flat angles C4'-P-C4' energy: -4.276 flat angles P-C4'-P energy: -3.394 tors. eta vs tors. theta energy: -5.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 379 Temperature: 1.250000 Total energy: -34.175728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.175728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.175728 (E_RNA) where: Base-Base interactions energy: -8.040 where: short stacking energy: -8.040 Base-Backbone interact. energy: -0.000 local terms energy: -26.135358 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -5.930 flat angles P-C4'-P energy: -4.652 tors. eta vs tors. theta energy: -3.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 379 Temperature: 1.300000 Total energy: -34.733027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.733027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.733027 (E_RNA) where: Base-Base interactions energy: -12.791 where: short stacking energy: -12.791 Base-Backbone interact. energy: -0.000 local terms energy: -21.941880 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -5.579 flat angles C4'-P-C4' energy: -5.416 flat angles P-C4'-P energy: -3.373 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: 10, replica: 6 ===================================== Write number: 379 Temperature: 1.350000 Total energy: -31.897633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.897633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.897633 (E_RNA) where: Base-Base interactions energy: -12.628 where: short stacking energy: -12.628 Base-Backbone interact. energy: -0.004 local terms energy: -19.265830 where: bonds (distance) C4'-P energy: -1.002 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -3.816 flat angles P-C4'-P energy: -5.087 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: 2 ===================================== Write number: 380 Temperature: 0.900000 Total energy: -38.487294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.487294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.487294 (E_RNA) where: Base-Base interactions energy: -15.988 where: short stacking energy: -15.988 Base-Backbone interact. energy: -0.052 local terms energy: -22.447986 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -4.653 flat angles P-C4'-P energy: -3.386 tors. eta vs tors. theta energy: -1.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 380 Temperature: 0.950000 Total energy: -41.029002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.029002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.029002 (E_RNA) where: Base-Base interactions energy: -15.005 where: short stacking energy: -15.005 Base-Backbone interact. energy: -0.006 local terms energy: -26.017854 where: bonds (distance) C4'-P energy: -4.628 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -6.009 flat angles P-C4'-P energy: -5.048 tors. eta vs tors. theta energy: -3.687 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: 3, replica: 5 ===================================== Write number: 380 Temperature: 1.000000 Total energy: -41.346526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.346526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.346526 (E_RNA) where: Base-Base interactions energy: -12.486 where: short stacking energy: -12.486 Base-Backbone interact. energy: -0.030 local terms energy: -28.830472 where: bonds (distance) C4'-P energy: -6.139 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -6.470 flat angles P-C4'-P energy: -3.960 tors. eta vs tors. theta energy: -5.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 380 Temperature: 1.050000 Total energy: -39.463187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.463187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.463187 (E_RNA) where: Base-Base interactions energy: -13.774 where: short stacking energy: -13.774 Base-Backbone interact. energy: -0.000 local terms energy: -25.689025 where: bonds (distance) C4'-P energy: -5.117 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -5.674 flat angles P-C4'-P energy: -5.506 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: 5, replica: 9 ===================================== Write number: 380 Temperature: 1.100000 Total energy: -31.363761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.363761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.363761 (E_RNA) where: Base-Base interactions energy: -10.749 where: short stacking energy: -10.749 Base-Backbone interact. energy: -0.000 local terms energy: -20.614632 where: bonds (distance) C4'-P energy: -4.019 bonds (distance) P-C4' energy: -6.181 flat angles C4'-P-C4' energy: -5.676 flat angles P-C4'-P energy: -4.261 tors. eta vs tors. theta energy: -0.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 380 Temperature: 1.150000 Total energy: -32.829264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.829264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.829264 (E_RNA) where: Base-Base interactions energy: -10.713 where: short stacking energy: -10.713 Base-Backbone interact. energy: -0.001 local terms energy: -22.115141 where: bonds (distance) C4'-P energy: -4.611 bonds (distance) P-C4' energy: -6.886 flat angles C4'-P-C4' energy: -4.093 flat angles P-C4'-P energy: -4.230 tors. eta vs tors. theta energy: -2.294 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: 1 ===================================== Write number: 380 Temperature: 1.200000 Total energy: -34.225343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.225343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.225343 (E_RNA) where: Base-Base interactions energy: -13.639 where: short stacking energy: -13.639 Base-Backbone interact. energy: -0.003 local terms energy: -20.583349 where: bonds (distance) C4'-P energy: -5.891 bonds (distance) P-C4' energy: -3.699 flat angles C4'-P-C4' energy: -5.523 flat angles P-C4'-P energy: -4.512 tors. eta vs tors. theta energy: -0.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 380 Temperature: 1.250000 Total energy: -31.217258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.217258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.217258 (E_RNA) where: Base-Base interactions energy: -8.652 where: short stacking energy: -8.652 Base-Backbone interact. energy: -0.000 local terms energy: -22.565044 where: bonds (distance) C4'-P energy: -4.525 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -5.042 flat angles P-C4'-P energy: -5.455 tors. eta vs tors. theta energy: -1.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 380 Temperature: 1.300000 Total energy: -30.404090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.404090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.404090 (E_RNA) where: Base-Base interactions energy: -9.201 where: short stacking energy: -9.201 Base-Backbone interact. energy: -0.052 local terms energy: -21.150798 where: bonds (distance) C4'-P energy: -5.368 bonds (distance) P-C4' energy: -4.463 flat angles C4'-P-C4' energy: -5.166 flat angles P-C4'-P energy: -4.949 tors. eta vs tors. theta energy: -1.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 380 Temperature: 1.350000 Total energy: -27.978915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.978915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.978915 (E_RNA) where: Base-Base interactions energy: -9.548 where: short stacking energy: -9.548 Base-Backbone interact. energy: -0.000 local terms energy: -18.430921 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -3.810 flat angles C4'-P-C4' energy: -4.676 flat angles P-C4'-P energy: -2.578 tors. eta vs tors. theta energy: -1.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 381 Temperature: 0.900000 Total energy: -38.658230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.658230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.658230 (E_RNA) where: Base-Base interactions energy: -11.687 where: short stacking energy: -11.687 Base-Backbone interact. energy: -0.000 local terms energy: -26.970875 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -5.723 flat angles C4'-P-C4' energy: -6.485 flat angles P-C4'-P energy: -3.703 tors. eta vs tors. theta energy: -5.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 381 Temperature: 0.950000 Total energy: -33.169106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.169106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.169106 (E_RNA) where: Base-Base interactions energy: -9.109 where: short stacking energy: -9.109 Base-Backbone interact. energy: -0.181 local terms energy: -23.879301 where: bonds (distance) C4'-P energy: -5.721 bonds (distance) P-C4' energy: -6.131 flat angles C4'-P-C4' energy: -6.865 flat angles P-C4'-P energy: -4.256 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: 3, replica: 4 ===================================== Write number: 381 Temperature: 1.000000 Total energy: -40.611045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.611045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.611045 (E_RNA) where: Base-Base interactions energy: -17.129 where: short stacking energy: -17.129 Base-Backbone interact. energy: -0.000 local terms energy: -23.481551 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -4.184 flat angles C4'-P-C4' energy: -6.087 flat angles P-C4'-P energy: -2.843 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: 4, replica: 9 ===================================== Write number: 381 Temperature: 1.050000 Total energy: -33.517589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.517589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.517589 (E_RNA) where: Base-Base interactions energy: -12.507 where: short stacking energy: -12.507 Base-Backbone interact. energy: -0.008 local terms energy: -21.002090 where: bonds (distance) C4'-P energy: -5.990 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -2.185 flat angles P-C4'-P energy: -3.816 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: 8 ===================================== Write number: 381 Temperature: 1.100000 Total energy: -35.009493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.009493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.009493 (E_RNA) where: Base-Base interactions energy: -10.460 where: short stacking energy: -10.460 Base-Backbone interact. energy: -0.048 local terms energy: -24.501998 where: bonds (distance) C4'-P energy: -5.456 bonds (distance) P-C4' energy: -5.723 flat angles C4'-P-C4' energy: -5.649 flat angles P-C4'-P energy: -4.444 tors. eta vs tors. theta energy: -3.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 381 Temperature: 1.150000 Total energy: -32.102043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.102043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.102043 (E_RNA) where: Base-Base interactions energy: -8.399 where: short stacking energy: -8.399 Base-Backbone interact. energy: -0.002 local terms energy: -23.701827 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -6.032 flat angles P-C4'-P energy: -2.902 tors. eta vs tors. theta energy: -2.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 381 Temperature: 1.200000 Total energy: -32.570608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.570608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.570608 (E_RNA) where: Base-Base interactions energy: -7.347 where: short stacking energy: -7.347 Base-Backbone interact. energy: -0.007 local terms energy: -25.216565 where: bonds (distance) C4'-P energy: -4.975 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.994 flat angles P-C4'-P energy: -4.521 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: 8, replica: 6 ===================================== Write number: 381 Temperature: 1.250000 Total energy: -34.886647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.886647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.886647 (E_RNA) where: Base-Base interactions energy: -13.285 where: short stacking energy: -13.285 Base-Backbone interact. energy: -0.000 local terms energy: -21.601309 where: bonds (distance) C4'-P energy: -2.764 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.327 flat angles P-C4'-P energy: -3.977 tors. eta vs tors. theta energy: -4.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 381 Temperature: 1.300000 Total energy: -29.561006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.561006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.561006 (E_RNA) where: Base-Base interactions energy: -8.993 where: short stacking energy: -8.993 Base-Backbone interact. energy: -0.000 local terms energy: -20.568091 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -5.304 flat angles C4'-P-C4' energy: -3.048 flat angles P-C4'-P energy: -3.037 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: 10, replica: 3 ===================================== Write number: 381 Temperature: 1.350000 Total energy: -31.972958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.972958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.972958 (E_RNA) where: Base-Base interactions energy: -9.582 where: short stacking energy: -9.582 Base-Backbone interact. energy: -0.000 local terms energy: -22.390465 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -3.682 flat angles P-C4'-P energy: -4.491 tors. eta vs tors. theta energy: -1.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 382 Temperature: 0.900000 Total energy: -39.246452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.246452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.246452 (E_RNA) where: Base-Base interactions energy: -14.121 where: short stacking energy: -14.121 Base-Backbone interact. energy: -0.919 local terms energy: -24.206114 where: bonds (distance) C4'-P energy: -5.075 bonds (distance) P-C4' energy: -7.144 flat angles C4'-P-C4' energy: -6.631 flat angles P-C4'-P energy: -4.844 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: 2, replica: 2 ===================================== Write number: 382 Temperature: 0.950000 Total energy: -38.868459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.868459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.868459 (E_RNA) where: Base-Base interactions energy: -16.271 where: short stacking energy: -16.271 Base-Backbone interact. energy: -0.000 local terms energy: -22.597515 where: bonds (distance) C4'-P energy: -5.589 bonds (distance) P-C4' energy: -6.389 flat angles C4'-P-C4' energy: -3.630 flat angles P-C4'-P energy: -2.851 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: 9 ===================================== Write number: 382 Temperature: 1.000000 Total energy: -39.817450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.817450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.817450 (E_RNA) where: Base-Base interactions energy: -15.305 where: short stacking energy: -15.305 Base-Backbone interact. energy: -0.000 local terms energy: -24.512226 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.069 flat angles P-C4'-P energy: -3.986 tors. eta vs tors. theta energy: -4.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 382 Temperature: 1.050000 Total energy: -35.598400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.598400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.598400 (E_RNA) where: Base-Base interactions energy: -14.213 where: short stacking energy: -14.213 Base-Backbone interact. energy: -0.000 local terms energy: -21.385154 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -5.674 flat angles C4'-P-C4' energy: -4.705 flat angles P-C4'-P energy: -3.042 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: 5, replica: 1 ===================================== Write number: 382 Temperature: 1.100000 Total energy: -38.204747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.204747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.204747 (E_RNA) where: Base-Base interactions energy: -12.470 where: short stacking energy: -12.470 Base-Backbone interact. energy: -0.000 local terms energy: -25.734734 where: bonds (distance) C4'-P energy: -5.484 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -5.798 flat angles P-C4'-P energy: -4.389 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: 6, replica: 8 ===================================== Write number: 382 Temperature: 1.150000 Total energy: -36.512346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.512346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.512346 (E_RNA) where: Base-Base interactions energy: -11.593 where: short stacking energy: -11.593 Base-Backbone interact. energy: -0.038 local terms energy: -24.881492 where: bonds (distance) C4'-P energy: -5.411 bonds (distance) P-C4' energy: -5.767 flat angles C4'-P-C4' energy: -5.210 flat angles P-C4'-P energy: -4.170 tors. eta vs tors. theta energy: -4.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 382 Temperature: 1.200000 Total energy: -33.761758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.761758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.761758 (E_RNA) where: Base-Base interactions energy: -9.694 where: short stacking energy: -10.150 Base-Backbone interact. energy: -0.032 local terms energy: -24.035774 where: bonds (distance) C4'-P energy: -3.990 bonds (distance) P-C4' energy: -6.199 flat angles C4'-P-C4' energy: -5.642 flat angles P-C4'-P energy: -4.308 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: 8, replica: 7 ===================================== Write number: 382 Temperature: 1.250000 Total energy: -32.476289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.476289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.476289 (E_RNA) where: Base-Base interactions energy: -10.249 where: short stacking energy: -10.249 Base-Backbone interact. energy: -0.000 local terms energy: -22.226874 where: bonds (distance) C4'-P energy: -5.572 bonds (distance) P-C4' energy: -5.597 flat angles C4'-P-C4' energy: -3.771 flat angles P-C4'-P energy: -4.594 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: 9, replica: 3 ===================================== Write number: 382 Temperature: 1.300000 Total energy: -25.192070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.192070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.192070 (E_RNA) where: Base-Base interactions energy: -5.863 where: short stacking energy: -5.863 Base-Backbone interact. energy: -0.084 local terms energy: -19.245147 where: bonds (distance) C4'-P energy: -4.035 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -4.717 flat angles P-C4'-P energy: -3.357 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: 10, replica: 10 ===================================== Write number: 382 Temperature: 1.350000 Total energy: -29.098132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.098132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.098132 (E_RNA) where: Base-Base interactions energy: -9.494 where: short stacking energy: -9.494 Base-Backbone interact. energy: -0.013 local terms energy: -19.591129 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -5.594 flat angles C4'-P-C4' energy: -4.632 flat angles P-C4'-P energy: -4.383 tors. eta vs tors. theta energy: 0.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 383 Temperature: 0.900000 Total energy: -37.187175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.187175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.187175 (E_RNA) where: Base-Base interactions energy: -11.623 where: short stacking energy: -11.623 Base-Backbone interact. energy: -0.000 local terms energy: -25.563758 where: bonds (distance) C4'-P energy: -5.572 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -4.721 flat angles P-C4'-P energy: -3.927 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: 2, replica: 9 ===================================== Write number: 383 Temperature: 0.950000 Total energy: -39.475233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.475233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.475233 (E_RNA) where: Base-Base interactions energy: -16.023 where: short stacking energy: -16.023 Base-Backbone interact. energy: -0.000 local terms energy: -23.452241 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.936 flat angles P-C4'-P energy: -2.081 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: 3, replica: 2 ===================================== Write number: 383 Temperature: 1.000000 Total energy: -40.071890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.071890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.071890 (E_RNA) where: Base-Base interactions energy: -15.513 where: short stacking energy: -13.364 Base-Backbone interact. energy: -1.652 local terms energy: -22.906397 where: bonds (distance) C4'-P energy: -4.251 bonds (distance) P-C4' energy: -5.600 flat angles C4'-P-C4' energy: -5.872 flat angles P-C4'-P energy: -4.560 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: 4, replica: 1 ===================================== Write number: 383 Temperature: 1.050000 Total energy: -38.483774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.483774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.483774 (E_RNA) where: Base-Base interactions energy: -14.318 where: short stacking energy: -14.318 Base-Backbone interact. energy: -0.070 local terms energy: -24.095546 where: bonds (distance) C4'-P energy: -6.105 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -6.258 flat angles P-C4'-P energy: -4.108 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: 5, replica: 4 ===================================== Write number: 383 Temperature: 1.100000 Total energy: -31.354568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.354568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.354568 (E_RNA) where: Base-Base interactions energy: -9.185 where: short stacking energy: -9.185 Base-Backbone interact. energy: -0.005 local terms energy: -22.165114 where: bonds (distance) C4'-P energy: -4.756 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -4.596 flat angles P-C4'-P energy: -4.474 tors. eta vs tors. theta energy: -1.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 383 Temperature: 1.150000 Total energy: -38.821804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.821804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.821804 (E_RNA) where: Base-Base interactions energy: -17.160 where: short stacking energy: -17.160 Base-Backbone interact. energy: -0.001 local terms energy: -21.660423 where: bonds (distance) C4'-P energy: -4.996 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -3.149 flat angles P-C4'-P energy: -2.303 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: 7, replica: 8 ===================================== Write number: 383 Temperature: 1.200000 Total energy: -32.897483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.897483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.897483 (E_RNA) where: Base-Base interactions energy: -12.656 where: short stacking energy: -12.656 Base-Backbone interact. energy: -0.020 local terms energy: -20.222367 where: bonds (distance) C4'-P energy: -6.362 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -2.279 flat angles P-C4'-P energy: -3.727 tors. eta vs tors. theta energy: -0.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 383 Temperature: 1.250000 Total energy: -34.972075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.972075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.972075 (E_RNA) where: Base-Base interactions energy: -10.662 where: short stacking energy: -10.662 Base-Backbone interact. energy: -0.000 local terms energy: -24.310430 where: bonds (distance) C4'-P energy: -4.985 bonds (distance) P-C4' energy: -7.130 flat angles C4'-P-C4' energy: -4.256 flat angles P-C4'-P energy: -3.397 tors. eta vs tors. theta energy: -4.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 383 Temperature: 1.300000 Total energy: -32.228650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.228650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.228650 (E_RNA) where: Base-Base interactions energy: -12.225 where: short stacking energy: -12.225 Base-Backbone interact. energy: -0.008 local terms energy: -19.995581 where: bonds (distance) C4'-P energy: -3.986 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -4.918 flat angles P-C4'-P energy: -3.736 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: 10, replica: 10 ===================================== Write number: 383 Temperature: 1.350000 Total energy: -31.574334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.574334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.574334 (E_RNA) where: Base-Base interactions energy: -12.529 where: short stacking energy: -12.529 Base-Backbone interact. energy: -0.004 local terms energy: -19.041510 where: bonds (distance) C4'-P energy: -4.523 bonds (distance) P-C4' energy: -5.699 flat angles C4'-P-C4' energy: -3.837 flat angles P-C4'-P energy: -3.952 tors. eta vs tors. theta energy: -1.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 384 Temperature: 0.900000 Total energy: -40.461752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.461752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.461752 (E_RNA) where: Base-Base interactions energy: -13.802 where: short stacking energy: -13.802 Base-Backbone interact. energy: -0.001 local terms energy: -26.658328 where: bonds (distance) C4'-P energy: -4.143 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -6.390 flat angles P-C4'-P energy: -4.732 tors. eta vs tors. theta energy: -4.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 384 Temperature: 0.950000 Total energy: -43.419639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.419639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.419639 (E_RNA) where: Base-Base interactions energy: -18.579 where: short stacking energy: -18.579 Base-Backbone interact. energy: -0.000 local terms energy: -24.840192 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -5.358 flat angles P-C4'-P energy: -4.321 tors. eta vs tors. theta energy: -2.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 384 Temperature: 1.000000 Total energy: -40.960896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.960896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.960896 (E_RNA) where: Base-Base interactions energy: -13.702 where: short stacking energy: -13.702 Base-Backbone interact. energy: -0.095 local terms energy: -27.164561 where: bonds (distance) C4'-P energy: -5.651 bonds (distance) P-C4' energy: -5.395 flat angles C4'-P-C4' energy: -5.957 flat angles P-C4'-P energy: -4.636 tors. eta vs tors. theta energy: -5.526 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: 4, replica: 2 ===================================== Write number: 384 Temperature: 1.050000 Total energy: -38.468237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.468237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.468237 (E_RNA) where: Base-Base interactions energy: -14.661 where: short stacking energy: -14.661 Base-Backbone interact. energy: -0.000 local terms energy: -23.806417 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -5.336 flat angles C4'-P-C4' energy: -6.489 flat angles P-C4'-P energy: -4.150 tors. eta vs tors. theta energy: -1.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 384 Temperature: 1.100000 Total energy: -33.617459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.617459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.617459 (E_RNA) where: Base-Base interactions energy: -12.715 where: short stacking energy: -12.715 Base-Backbone interact. energy: -0.000 local terms energy: -20.902192 where: bonds (distance) C4'-P energy: -3.850 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -5.319 flat angles P-C4'-P energy: -3.130 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: 6, replica: 4 ===================================== Write number: 384 Temperature: 1.150000 Total energy: -37.815949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.815949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.815949 (E_RNA) where: Base-Base interactions energy: -14.644 where: short stacking energy: -14.644 Base-Backbone interact. energy: -0.000 local terms energy: -23.171505 where: bonds (distance) C4'-P energy: -5.117 bonds (distance) P-C4' energy: -7.144 flat angles C4'-P-C4' energy: -3.723 flat angles P-C4'-P energy: -3.866 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: 7, replica: 3 ===================================== Write number: 384 Temperature: 1.200000 Total energy: -37.713064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.713064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.713064 (E_RNA) where: Base-Base interactions energy: -18.100 where: short stacking energy: -18.100 Base-Backbone interact. energy: -0.000 local terms energy: -19.612914 where: bonds (distance) C4'-P energy: -3.725 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -2.172 flat angles P-C4'-P energy: -2.788 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: 8, replica: 8 ===================================== Write number: 384 Temperature: 1.250000 Total energy: -33.627858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.627858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.627858 (E_RNA) where: Base-Base interactions energy: -9.292 where: short stacking energy: -9.292 Base-Backbone interact. energy: -0.000 local terms energy: -24.335876 where: bonds (distance) C4'-P energy: -4.764 bonds (distance) P-C4' energy: -5.318 flat angles C4'-P-C4' energy: -3.881 flat angles P-C4'-P energy: -5.191 tors. eta vs tors. theta energy: -5.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 384 Temperature: 1.300000 Total energy: -26.467003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.467003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.467003 (E_RNA) where: Base-Base interactions energy: -11.995 where: short stacking energy: -11.995 Base-Backbone interact. energy: -0.000 local terms energy: -14.472292 where: bonds (distance) C4'-P energy: -4.967 bonds (distance) P-C4' energy: -3.826 flat angles C4'-P-C4' energy: -4.466 flat angles P-C4'-P energy: -0.808 tors. eta vs tors. theta energy: -0.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 384 Temperature: 1.350000 Total energy: -30.735236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.735236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.735236 (E_RNA) where: Base-Base interactions energy: -9.152 where: short stacking energy: -9.152 Base-Backbone interact. energy: -0.007 local terms energy: -21.576323 where: bonds (distance) C4'-P energy: -3.026 bonds (distance) P-C4' energy: -6.417 flat angles C4'-P-C4' energy: -5.297 flat angles P-C4'-P energy: -3.812 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: 9 ===================================== Write number: 385 Temperature: 0.900000 Total energy: -43.727069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.727069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.727069 (E_RNA) where: Base-Base interactions energy: -15.490 where: short stacking energy: -15.490 Base-Backbone interact. energy: -0.491 local terms energy: -27.745376 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -5.669 flat angles P-C4'-P energy: -5.259 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: 2, replica: 1 ===================================== Write number: 385 Temperature: 0.950000 Total energy: -39.558939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.558939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.558939 (E_RNA) where: Base-Base interactions energy: -16.700 where: short stacking energy: -16.700 Base-Backbone interact. energy: -0.045 local terms energy: -22.813809 where: bonds (distance) C4'-P energy: -5.696 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.361 flat angles P-C4'-P energy: -4.735 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: 3, replica: 5 ===================================== Write number: 385 Temperature: 1.000000 Total energy: -39.544880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.544880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.544880 (E_RNA) where: Base-Base interactions energy: -13.086 where: short stacking energy: -13.086 Base-Backbone interact. energy: -0.000 local terms energy: -26.459357 where: bonds (distance) C4'-P energy: -3.725 bonds (distance) P-C4' energy: -5.966 flat angles C4'-P-C4' energy: -5.569 flat angles P-C4'-P energy: -4.907 tors. eta vs tors. theta energy: -6.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 385 Temperature: 1.050000 Total energy: -35.492607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.492607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.492607 (E_RNA) where: Base-Base interactions energy: -10.415 where: short stacking energy: -10.415 Base-Backbone interact. energy: -0.050 local terms energy: -25.027540 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -5.500 flat angles P-C4'-P energy: -4.820 tors. eta vs tors. theta energy: -2.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 385 Temperature: 1.100000 Total energy: -32.848640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.848640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.848640 (E_RNA) where: Base-Base interactions energy: -14.340 where: short stacking energy: -14.340 Base-Backbone interact. energy: -0.003 local terms energy: -18.505678 where: bonds (distance) C4'-P energy: -4.983 bonds (distance) P-C4' energy: -6.206 flat angles C4'-P-C4' energy: -3.982 flat angles P-C4'-P energy: -3.596 tors. eta vs tors. theta energy: 0.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 385 Temperature: 1.150000 Total energy: -33.330616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.330616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.330616 (E_RNA) where: Base-Base interactions energy: -12.137 where: short stacking energy: -12.137 Base-Backbone interact. energy: -0.000 local terms energy: -21.193003 where: bonds (distance) C4'-P energy: -3.990 bonds (distance) P-C4' energy: -5.273 flat angles C4'-P-C4' energy: -4.933 flat angles P-C4'-P energy: -4.920 tors. eta vs tors. theta energy: -2.076 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: 4 ===================================== Write number: 385 Temperature: 1.200000 Total energy: -37.565037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.565037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.565037 (E_RNA) where: Base-Base interactions energy: -15.897 where: short stacking energy: -15.897 Base-Backbone interact. energy: -0.004 local terms energy: -21.664018 where: bonds (distance) C4'-P energy: -4.094 bonds (distance) P-C4' energy: -5.339 flat angles C4'-P-C4' energy: -5.433 flat angles P-C4'-P energy: -4.771 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: 8, replica: 10 ===================================== Write number: 385 Temperature: 1.250000 Total energy: -30.396442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.396442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.396442 (E_RNA) where: Base-Base interactions energy: -8.606 where: short stacking energy: -8.606 Base-Backbone interact. energy: -0.085 local terms energy: -21.704994 where: bonds (distance) C4'-P energy: -5.650 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -3.948 flat angles P-C4'-P energy: -3.391 tors. eta vs tors. theta energy: -2.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 385 Temperature: 1.300000 Total energy: -30.268532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.268532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.268532 (E_RNA) where: Base-Base interactions energy: -10.648 where: short stacking energy: -10.648 Base-Backbone interact. energy: -0.000 local terms energy: -19.620349 where: bonds (distance) C4'-P energy: -4.089 bonds (distance) P-C4' energy: -5.597 flat angles C4'-P-C4' energy: -4.745 flat angles P-C4'-P energy: -3.944 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: 10, replica: 7 ===================================== Write number: 385 Temperature: 1.350000 Total energy: -34.473714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.473714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.473714 (E_RNA) where: Base-Base interactions energy: -15.023 where: short stacking energy: -15.023 Base-Backbone interact. energy: -0.000 local terms energy: -19.450166 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -4.581 flat angles P-C4'-P energy: -1.685 tors. eta vs tors. theta energy: -1.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 386 Temperature: 0.900000 Total energy: -40.641462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.641462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.641462 (E_RNA) where: Base-Base interactions energy: -13.570 where: short stacking energy: -13.570 Base-Backbone interact. energy: -0.000 local terms energy: -27.070982 where: bonds (distance) C4'-P energy: -5.866 bonds (distance) P-C4' energy: -6.407 flat angles C4'-P-C4' energy: -5.008 flat angles P-C4'-P energy: -3.058 tors. eta vs tors. theta energy: -6.732 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: 2, replica: 9 ===================================== Write number: 386 Temperature: 0.950000 Total energy: -37.768402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.768402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.768402 (E_RNA) where: Base-Base interactions energy: -14.142 where: short stacking energy: -14.142 Base-Backbone interact. energy: -0.000 local terms energy: -23.625889 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -5.464 flat angles P-C4'-P energy: -4.323 tors. eta vs tors. theta energy: -1.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 386 Temperature: 1.000000 Total energy: -33.778127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.778127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.778127 (E_RNA) where: Base-Base interactions energy: -11.954 where: short stacking energy: -11.954 Base-Backbone interact. energy: -0.004 local terms energy: -21.820396 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -5.833 flat angles C4'-P-C4' energy: -5.833 flat angles P-C4'-P energy: -4.426 tors. eta vs tors. theta energy: 0.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 386 Temperature: 1.050000 Total energy: -32.530360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.530360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.530360 (E_RNA) where: Base-Base interactions energy: -12.399 where: short stacking energy: -12.399 Base-Backbone interact. energy: 0.487 local terms energy: -20.617793 where: bonds (distance) C4'-P energy: -5.961 bonds (distance) P-C4' energy: -4.202 flat angles C4'-P-C4' energy: -4.389 flat angles P-C4'-P energy: -3.654 tors. eta vs tors. theta energy: -2.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 386 Temperature: 1.100000 Total energy: -29.959285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.959285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.959285 (E_RNA) where: Base-Base interactions energy: -8.783 where: short stacking energy: -8.783 Base-Backbone interact. energy: -0.005 local terms energy: -21.171271 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -5.453 flat angles P-C4'-P energy: -3.078 tors. eta vs tors. theta energy: -0.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 386 Temperature: 1.150000 Total energy: -33.041710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.041710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.041710 (E_RNA) where: Base-Base interactions energy: -12.791 where: short stacking energy: -12.791 Base-Backbone interact. energy: -0.030 local terms energy: -20.221378 where: bonds (distance) C4'-P energy: -2.571 bonds (distance) P-C4' energy: -4.751 flat angles C4'-P-C4' energy: -6.570 flat angles P-C4'-P energy: -3.613 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: 7, replica: 4 ===================================== Write number: 386 Temperature: 1.200000 Total energy: -35.588209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.588209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.588209 (E_RNA) where: Base-Base interactions energy: -13.075 where: short stacking energy: -13.075 Base-Backbone interact. energy: -0.023 local terms energy: -22.490783 where: bonds (distance) C4'-P energy: -5.075 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -5.847 flat angles P-C4'-P energy: -3.854 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: 8, replica: 10 ===================================== Write number: 386 Temperature: 1.250000 Total energy: -31.049950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.049950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.049950 (E_RNA) where: Base-Base interactions energy: -13.622 where: short stacking energy: -13.622 Base-Backbone interact. energy: -0.004 local terms energy: -17.424084 where: bonds (distance) C4'-P energy: -2.438 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -6.711 flat angles P-C4'-P energy: 0.858 tors. eta vs tors. theta energy: -2.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 386 Temperature: 1.300000 Total energy: -32.167398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.167398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.167398 (E_RNA) where: Base-Base interactions energy: -11.809 where: short stacking energy: -11.809 Base-Backbone interact. energy: -0.022 local terms energy: -20.337097 where: bonds (distance) C4'-P energy: -5.659 bonds (distance) P-C4' energy: -6.177 flat angles C4'-P-C4' energy: -2.813 flat angles P-C4'-P energy: -4.274 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: 8 ===================================== Write number: 386 Temperature: 1.350000 Total energy: -32.503160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.503160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.503160 (E_RNA) where: Base-Base interactions energy: -8.357 where: short stacking energy: -8.357 Base-Backbone interact. energy: -0.019 local terms energy: -24.127009 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -5.767 flat angles C4'-P-C4' energy: -4.568 flat angles P-C4'-P energy: -5.126 tors. eta vs tors. theta energy: -2.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 387 Temperature: 0.900000 Total energy: -43.014846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.014846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.014846 (E_RNA) where: Base-Base interactions energy: -17.911 where: short stacking energy: -17.911 Base-Backbone interact. energy: -0.000 local terms energy: -25.103622 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -4.615 flat angles P-C4'-P energy: -4.109 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: 2, replica: 9 ===================================== Write number: 387 Temperature: 0.950000 Total energy: -39.169525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.169525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.169525 (E_RNA) where: Base-Base interactions energy: -16.516 where: short stacking energy: -16.516 Base-Backbone interact. energy: -0.000 local terms energy: -22.653341 where: bonds (distance) C4'-P energy: -4.996 bonds (distance) P-C4' energy: -6.382 flat angles C4'-P-C4' energy: -4.493 flat angles P-C4'-P energy: -2.744 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: 3, replica: 6 ===================================== Write number: 387 Temperature: 1.000000 Total energy: -33.181161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.181161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.181161 (E_RNA) where: Base-Base interactions energy: -13.941 where: short stacking energy: -13.941 Base-Backbone interact. energy: -0.076 local terms energy: -19.164599 where: bonds (distance) C4'-P energy: -4.807 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -1.610 flat angles P-C4'-P energy: -5.055 tors. eta vs tors. theta energy: -1.944 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: 3 ===================================== Write number: 387 Temperature: 1.050000 Total energy: -35.907802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.907802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.907802 (E_RNA) where: Base-Base interactions energy: -13.646 where: short stacking energy: -13.646 Base-Backbone interact. energy: -0.008 local terms energy: -22.254558 where: bonds (distance) C4'-P energy: -6.453 bonds (distance) P-C4' energy: -4.388 flat angles C4'-P-C4' energy: -6.091 flat angles P-C4'-P energy: -4.847 tors. eta vs tors. theta energy: -0.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 387 Temperature: 1.100000 Total energy: -34.861697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.861697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.861697 (E_RNA) where: Base-Base interactions energy: -9.075 where: short stacking energy: -9.096 Base-Backbone interact. energy: -0.075 local terms energy: -25.711978 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -5.764 flat angles P-C4'-P energy: -4.456 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: 6, replica: 4 ===================================== Write number: 387 Temperature: 1.150000 Total energy: -29.999963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.999963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.999963 (E_RNA) where: Base-Base interactions energy: -9.981 where: short stacking energy: -9.981 Base-Backbone interact. energy: -0.003 local terms energy: -20.015996 where: bonds (distance) C4'-P energy: -5.650 bonds (distance) P-C4' energy: -6.206 flat angles C4'-P-C4' energy: -3.577 flat angles P-C4'-P energy: -3.544 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: 7, replica: 2 ===================================== Write number: 387 Temperature: 1.200000 Total energy: -29.453208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.453208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.453208 (E_RNA) where: Base-Base interactions energy: -8.645 where: short stacking energy: -8.645 Base-Backbone interact. energy: -0.024 local terms energy: -20.784587 where: bonds (distance) C4'-P energy: -4.983 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -5.754 flat angles P-C4'-P energy: -3.282 tors. eta vs tors. theta energy: -0.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 387 Temperature: 1.250000 Total energy: -29.028269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.028269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.028269 (E_RNA) where: Base-Base interactions energy: -12.700 where: short stacking energy: -12.700 Base-Backbone interact. energy: -0.000 local terms energy: -16.327728 where: bonds (distance) C4'-P energy: -2.872 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -5.563 flat angles P-C4'-P energy: -3.390 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: 9, replica: 10 ===================================== Write number: 387 Temperature: 1.300000 Total energy: -28.278155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.278155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.278155 (E_RNA) where: Base-Base interactions energy: -10.163 where: short stacking energy: -10.163 Base-Backbone interact. energy: -0.099 local terms energy: -18.016501 where: bonds (distance) C4'-P energy: -4.106 bonds (distance) P-C4' energy: -5.597 flat angles C4'-P-C4' energy: -2.205 flat angles P-C4'-P energy: -2.909 tors. eta vs tors. theta energy: -3.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 387 Temperature: 1.350000 Total energy: -31.114808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.114808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.114808 (E_RNA) where: Base-Base interactions energy: -10.090 where: short stacking energy: -10.090 Base-Backbone interact. energy: -0.010 local terms energy: -21.015244 where: bonds (distance) C4'-P energy: -4.897 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.919 flat angles P-C4'-P energy: -4.134 tors. eta vs tors. theta energy: 0.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 388 Temperature: 0.900000 Total energy: -38.271806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.271806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.271806 (E_RNA) where: Base-Base interactions energy: -13.714 where: short stacking energy: -13.714 Base-Backbone interact. energy: -0.000 local terms energy: -24.558113 where: bonds (distance) C4'-P energy: -4.126 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -4.791 flat angles P-C4'-P energy: -4.770 tors. eta vs tors. theta energy: -3.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 388 Temperature: 0.950000 Total energy: -37.908235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.908235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.908235 (E_RNA) where: Base-Base interactions energy: -14.741 where: short stacking energy: -15.241 Base-Backbone interact. energy: -0.000 local terms energy: -23.167588 where: bonds (distance) C4'-P energy: -4.578 bonds (distance) P-C4' energy: -6.407 flat angles C4'-P-C4' energy: -3.211 flat angles P-C4'-P energy: -4.305 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: 3, replica: 3 ===================================== Write number: 388 Temperature: 1.000000 Total energy: -38.144925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.144925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.144925 (E_RNA) where: Base-Base interactions energy: -14.396 where: short stacking energy: -14.396 Base-Backbone interact. energy: -0.005 local terms energy: -23.743568 where: bonds (distance) C4'-P energy: -3.936 bonds (distance) P-C4' energy: -5.597 flat angles C4'-P-C4' energy: -5.012 flat angles P-C4'-P energy: -4.022 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: 4, replica: 6 ===================================== Write number: 388 Temperature: 1.050000 Total energy: -37.589770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.589770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.589770 (E_RNA) where: Base-Base interactions energy: -13.848 where: short stacking energy: -13.848 Base-Backbone interact. energy: -0.003 local terms energy: -23.739113 where: bonds (distance) C4'-P energy: -4.756 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -3.622 flat angles P-C4'-P energy: -3.851 tors. eta vs tors. theta energy: -4.839 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: 5, replica: 4 ===================================== Write number: 388 Temperature: 1.100000 Total energy: -34.203285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.203285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.203285 (E_RNA) where: Base-Base interactions energy: -8.962 where: short stacking energy: -8.962 Base-Backbone interact. energy: -0.000 local terms energy: -25.241255 where: bonds (distance) C4'-P energy: -6.023 bonds (distance) P-C4' energy: -6.382 flat angles C4'-P-C4' energy: -5.712 flat angles P-C4'-P energy: -4.751 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: 5 ===================================== Write number: 388 Temperature: 1.150000 Total energy: -32.776904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.776904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.776904 (E_RNA) where: Base-Base interactions energy: -11.871 where: short stacking energy: -11.871 Base-Backbone interact. energy: -0.044 local terms energy: -20.862442 where: bonds (distance) C4'-P energy: -5.171 bonds (distance) P-C4' energy: -5.107 flat angles C4'-P-C4' energy: -5.479 flat angles P-C4'-P energy: -2.499 tors. eta vs tors. theta energy: -2.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 388 Temperature: 1.200000 Total energy: -34.387862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.387862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.387862 (E_RNA) where: Base-Base interactions energy: -11.531 where: short stacking energy: -11.531 Base-Backbone interact. energy: -0.001 local terms energy: -22.855789 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -6.873 flat angles C4'-P-C4' energy: -5.365 flat angles P-C4'-P energy: -1.875 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: 8, replica: 2 ===================================== Write number: 388 Temperature: 1.250000 Total energy: -34.504169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.504169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.504169 (E_RNA) where: Base-Base interactions energy: -14.295 where: short stacking energy: -14.295 Base-Backbone interact. energy: -0.010 local terms energy: -20.199127 where: bonds (distance) C4'-P energy: -3.966 bonds (distance) P-C4' energy: -5.861 flat angles C4'-P-C4' energy: -5.627 flat angles P-C4'-P energy: -3.563 tors. eta vs tors. theta energy: -1.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 388 Temperature: 1.300000 Total energy: -28.421059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.421059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.421059 (E_RNA) where: Base-Base interactions energy: -5.970 where: short stacking energy: -5.970 Base-Backbone interact. energy: -0.009 local terms energy: -22.442717 where: bonds (distance) C4'-P energy: -5.572 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -3.634 flat angles P-C4'-P energy: -4.131 tors. eta vs tors. theta energy: -2.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 388 Temperature: 1.350000 Total energy: -26.763146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.763146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.763146 (E_RNA) where: Base-Base interactions energy: -7.462 where: short stacking energy: -7.462 Base-Backbone interact. energy: -0.029 local terms energy: -19.272556 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -4.656 flat angles C4'-P-C4' energy: -4.465 flat angles P-C4'-P energy: -4.676 tors. eta vs tors. theta energy: 0.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 389 Temperature: 0.900000 Total energy: -40.675759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.675759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.675759 (E_RNA) where: Base-Base interactions energy: -17.898 where: short stacking energy: -17.898 Base-Backbone interact. energy: -0.016 local terms energy: -22.761209 where: bonds (distance) C4'-P energy: -5.456 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -5.631 flat angles P-C4'-P energy: -3.905 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: 2, replica: 3 ===================================== Write number: 389 Temperature: 0.950000 Total energy: -36.859044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.859044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.859044 (E_RNA) where: Base-Base interactions energy: -14.071 where: short stacking energy: -13.642 Base-Backbone interact. energy: -0.015 local terms energy: -22.773023 where: bonds (distance) C4'-P energy: -4.993 bonds (distance) P-C4' energy: -5.892 flat angles C4'-P-C4' energy: -4.766 flat angles P-C4'-P energy: -2.389 tors. eta vs tors. theta energy: -4.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 389 Temperature: 1.000000 Total energy: -34.653386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.653386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.653386 (E_RNA) where: Base-Base interactions energy: -13.115 where: short stacking energy: -13.115 Base-Backbone interact. energy: -0.003 local terms energy: -21.534834 where: bonds (distance) C4'-P energy: -4.230 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -3.543 flat angles P-C4'-P energy: -3.852 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: 4 ===================================== Write number: 389 Temperature: 1.050000 Total energy: -36.711797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.711797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.711797 (E_RNA) where: Base-Base interactions energy: -12.739 where: short stacking energy: -12.739 Base-Backbone interact. energy: -0.036 local terms energy: -23.937254 where: bonds (distance) C4'-P energy: -4.611 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -6.485 flat angles P-C4'-P energy: -5.126 tors. eta vs tors. theta energy: -1.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 389 Temperature: 1.100000 Total energy: -37.243531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.243531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.243531 (E_RNA) where: Base-Base interactions energy: -14.728 where: short stacking energy: -14.728 Base-Backbone interact. energy: -0.002 local terms energy: -22.513394 where: bonds (distance) C4'-P energy: -5.473 bonds (distance) P-C4' energy: -5.435 flat angles C4'-P-C4' energy: -5.785 flat angles P-C4'-P energy: -2.776 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: 389 Temperature: 1.150000 Total energy: -37.871225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.871225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.871225 (E_RNA) where: Base-Base interactions energy: -12.829 where: short stacking energy: -12.829 Base-Backbone interact. energy: -0.032 local terms energy: -25.010022 where: bonds (distance) C4'-P energy: -5.998 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -4.034 flat angles P-C4'-P energy: -3.674 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: 7, replica: 5 ===================================== Write number: 389 Temperature: 1.200000 Total energy: -31.367626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.367626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.367626 (E_RNA) where: Base-Base interactions energy: -9.440 where: short stacking energy: -9.440 Base-Backbone interact. energy: -0.000 local terms energy: -21.927674 where: bonds (distance) C4'-P energy: -4.371 bonds (distance) P-C4' energy: -4.460 flat angles C4'-P-C4' energy: -2.086 flat angles P-C4'-P energy: -5.223 tors. eta vs tors. theta energy: -5.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 389 Temperature: 1.250000 Total energy: -35.401691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.401691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.401691 (E_RNA) where: Base-Base interactions energy: -9.615 where: short stacking energy: -9.048 Base-Backbone interact. energy: -0.031 local terms energy: -25.755920 where: bonds (distance) C4'-P energy: -5.659 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -6.569 flat angles P-C4'-P energy: -3.341 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: 2 ===================================== Write number: 389 Temperature: 1.300000 Total energy: -37.338947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.338947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.338947 (E_RNA) where: Base-Base interactions energy: -12.617 where: short stacking energy: -12.617 Base-Backbone interact. energy: -0.010 local terms energy: -24.711610 where: bonds (distance) C4'-P energy: -5.580 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -5.732 flat angles P-C4'-P energy: -5.069 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: 10 ===================================== Write number: 389 Temperature: 1.350000 Total energy: -27.486988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.486988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.486988 (E_RNA) where: Base-Base interactions energy: -6.424 where: short stacking energy: -6.424 Base-Backbone interact. energy: -0.029 local terms energy: -21.034421 where: bonds (distance) C4'-P energy: -5.750 bonds (distance) P-C4' energy: -4.621 flat angles C4'-P-C4' energy: -5.876 flat angles P-C4'-P energy: -3.908 tors. eta vs tors. theta energy: -0.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 390 Temperature: 0.900000 Total energy: -33.723958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.723958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.723958 (E_RNA) where: Base-Base interactions energy: -14.166 where: short stacking energy: -14.166 Base-Backbone interact. energy: -0.000 local terms energy: -19.557911 where: bonds (distance) C4'-P energy: -5.419 bonds (distance) P-C4' energy: -6.199 flat angles C4'-P-C4' energy: -5.705 flat angles P-C4'-P energy: -2.552 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: 2, replica: 9 ===================================== Write number: 390 Temperature: 0.950000 Total energy: -38.505895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.505895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.505895 (E_RNA) where: Base-Base interactions energy: -17.136 where: short stacking energy: -17.136 Base-Backbone interact. energy: -0.512 local terms energy: -20.858361 where: bonds (distance) C4'-P energy: -4.019 bonds (distance) P-C4' energy: -5.343 flat angles C4'-P-C4' energy: -4.276 flat angles P-C4'-P energy: -3.262 tors. eta vs tors. theta energy: -3.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 390 Temperature: 1.000000 Total energy: -36.656349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.656349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.656349 (E_RNA) where: Base-Base interactions energy: -14.022 where: short stacking energy: -14.022 Base-Backbone interact. energy: -0.044 local terms energy: -22.590704 where: bonds (distance) C4'-P energy: -4.611 bonds (distance) P-C4' energy: -5.597 flat angles C4'-P-C4' energy: -5.899 flat angles P-C4'-P energy: -4.174 tors. eta vs tors. theta energy: -2.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 390 Temperature: 1.050000 Total energy: -38.216582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.216582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.216582 (E_RNA) where: Base-Base interactions energy: -13.946 where: short stacking energy: -13.946 Base-Backbone interact. energy: -0.003 local terms energy: -24.268168 where: bonds (distance) C4'-P energy: -5.484 bonds (distance) P-C4' energy: -6.129 flat angles C4'-P-C4' energy: -5.008 flat angles P-C4'-P energy: -4.861 tors. eta vs tors. theta energy: -2.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 390 Temperature: 1.100000 Total energy: -33.460616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.460616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.460616 (E_RNA) where: Base-Base interactions energy: -10.793 where: short stacking energy: -10.793 Base-Backbone interact. energy: -0.000 local terms energy: -22.667631 where: bonds (distance) C4'-P energy: -3.555 bonds (distance) P-C4' energy: -6.181 flat angles C4'-P-C4' energy: -5.692 flat angles P-C4'-P energy: -3.078 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: 6, replica: 6 ===================================== Write number: 390 Temperature: 1.150000 Total energy: -30.880107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.880107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.880107 (E_RNA) where: Base-Base interactions energy: -11.582 where: short stacking energy: -11.582 Base-Backbone interact. energy: -0.084 local terms energy: -19.214124 where: bonds (distance) C4'-P energy: -4.027 bonds (distance) P-C4' energy: -6.873 flat angles C4'-P-C4' energy: -5.641 flat angles P-C4'-P energy: -2.778 tors. eta vs tors. theta energy: 0.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 390 Temperature: 1.200000 Total energy: -33.486742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.486742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.486742 (E_RNA) where: Base-Base interactions energy: -12.667 where: short stacking energy: -12.674 Base-Backbone interact. energy: -0.079 local terms energy: -20.740757 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -5.515 flat angles C4'-P-C4' energy: -2.605 flat angles P-C4'-P energy: -5.049 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: 8, replica: 5 ===================================== Write number: 390 Temperature: 1.250000 Total energy: -38.725368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.725368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.725368 (E_RNA) where: Base-Base interactions energy: -13.172 where: short stacking energy: -13.172 Base-Backbone interact. energy: -0.001 local terms energy: -25.552087 where: bonds (distance) C4'-P energy: -5.456 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -5.742 flat angles P-C4'-P energy: -5.054 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: 9, replica: 10 ===================================== Write number: 390 Temperature: 1.300000 Total energy: -30.761441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.761441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.761441 (E_RNA) where: Base-Base interactions energy: -9.842 where: short stacking energy: -9.842 Base-Backbone interact. energy: -0.000 local terms energy: -20.919632 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -4.239 flat angles C4'-P-C4' energy: -6.147 flat angles P-C4'-P energy: -4.274 tors. eta vs tors. theta energy: -0.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 390 Temperature: 1.350000 Total energy: -31.649914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.649914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.649914 (E_RNA) where: Base-Base interactions energy: -9.949 where: short stacking energy: -9.949 Base-Backbone interact. energy: -0.001 local terms energy: -21.700332 where: bonds (distance) C4'-P energy: -3.725 bonds (distance) P-C4' energy: -5.189 flat angles C4'-P-C4' energy: -6.079 flat angles P-C4'-P energy: -2.847 tors. eta vs tors. theta energy: -3.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 391 Temperature: 0.900000 Total energy: -39.081584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.081584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.081584 (E_RNA) where: Base-Base interactions energy: -15.178 where: short stacking energy: -15.178 Base-Backbone interact. energy: -0.000 local terms energy: -23.903820 where: bonds (distance) C4'-P energy: -2.632 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -4.485 flat angles P-C4'-P energy: -3.621 tors. eta vs tors. theta energy: -6.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 391 Temperature: 0.950000 Total energy: -33.866188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.866188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.866188 (E_RNA) where: Base-Base interactions energy: -11.927 where: short stacking energy: -8.959 Base-Backbone interact. energy: -0.553 local terms energy: -21.386090 where: bonds (distance) C4'-P energy: -5.199 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -6.240 flat angles P-C4'-P energy: -1.335 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: 3, replica: 9 ===================================== Write number: 391 Temperature: 1.000000 Total energy: -36.391159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.391159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.391159 (E_RNA) where: Base-Base interactions energy: -10.364 where: short stacking energy: -10.364 Base-Backbone interact. energy: -0.002 local terms energy: -26.025249 where: bonds (distance) C4'-P energy: -5.866 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -6.247 flat angles P-C4'-P energy: -3.276 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: 4, replica: 7 ===================================== Write number: 391 Temperature: 1.050000 Total energy: -35.395812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.395812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.395812 (E_RNA) where: Base-Base interactions energy: -9.844 where: short stacking energy: -9.844 Base-Backbone interact. energy: -0.000 local terms energy: -25.551626 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.676 flat angles P-C4'-P energy: -5.036 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: 5, replica: 1 ===================================== Write number: 391 Temperature: 1.100000 Total energy: -36.333097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.333097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.333097 (E_RNA) where: Base-Base interactions energy: -13.813 where: short stacking energy: -13.813 Base-Backbone interact. energy: -0.034 local terms energy: -22.485830 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -6.653 flat angles C4'-P-C4' energy: -3.918 flat angles P-C4'-P energy: -4.831 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: 6, replica: 8 ===================================== Write number: 391 Temperature: 1.150000 Total energy: -32.609649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.609649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.609649 (E_RNA) where: Base-Base interactions energy: -12.011 where: short stacking energy: -12.011 Base-Backbone interact. energy: -0.090 local terms energy: -20.508502 where: bonds (distance) C4'-P energy: -3.671 bonds (distance) P-C4' energy: -5.309 flat angles C4'-P-C4' energy: -6.066 flat angles P-C4'-P energy: -2.070 tors. eta vs tors. theta energy: -3.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 391 Temperature: 1.200000 Total energy: -34.710864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.710864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.710864 (E_RNA) where: Base-Base interactions energy: -14.278 where: short stacking energy: -14.278 Base-Backbone interact. energy: -0.001 local terms energy: -20.431735 where: bonds (distance) C4'-P energy: -3.994 bonds (distance) P-C4' energy: -6.153 flat angles C4'-P-C4' energy: -5.388 flat angles P-C4'-P energy: -2.414 tors. eta vs tors. theta energy: -2.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 391 Temperature: 1.250000 Total energy: -33.170594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.170594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.170594 (E_RNA) where: Base-Base interactions energy: -9.415 where: short stacking energy: -9.415 Base-Backbone interact. energy: -0.039 local terms energy: -23.716688 where: bonds (distance) C4'-P energy: -5.373 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -5.313 flat angles P-C4'-P energy: -4.934 tors. eta vs tors. theta energy: -0.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 391 Temperature: 1.300000 Total energy: -28.432540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.432540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.432540 (E_RNA) where: Base-Base interactions energy: -11.898 where: short stacking energy: -11.898 Base-Backbone interact. energy: -0.092 local terms energy: -16.442441 where: bonds (distance) C4'-P energy: -4.781 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -3.639 flat angles P-C4'-P energy: -5.241 tors. eta vs tors. theta energy: 2.076 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: 10, replica: 2 ===================================== Write number: 391 Temperature: 1.350000 Total energy: -31.804991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.804991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.804991 (E_RNA) where: Base-Base interactions energy: -7.990 where: short stacking energy: -7.990 Base-Backbone interact. energy: -0.000 local terms energy: -23.814180 where: bonds (distance) C4'-P energy: -5.882 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -6.007 flat angles P-C4'-P energy: -4.030 tors. eta vs tors. theta energy: -1.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 392 Temperature: 0.900000 Total energy: -38.267555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.267555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.267555 (E_RNA) where: Base-Base interactions energy: -13.970 where: short stacking energy: -13.970 Base-Backbone interact. energy: -0.005 local terms energy: -24.292876 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -4.900 flat angles P-C4'-P energy: -3.913 tors. eta vs tors. theta energy: -3.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 392 Temperature: 0.950000 Total energy: -37.412682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.412682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.412682 (E_RNA) where: Base-Base interactions energy: -13.665 where: short stacking energy: -13.665 Base-Backbone interact. energy: -0.291 local terms energy: -23.456173 where: bonds (distance) C4'-P energy: -5.501 bonds (distance) P-C4' energy: -5.018 flat angles C4'-P-C4' energy: -5.936 flat angles P-C4'-P energy: -4.701 tors. eta vs tors. theta energy: -2.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 392 Temperature: 1.000000 Total energy: -35.176207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.176207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.176207 (E_RNA) where: Base-Base interactions energy: -9.798 where: short stacking energy: -9.798 Base-Backbone interact. energy: -0.000 local terms energy: -25.378207 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.568 flat angles P-C4'-P energy: -5.316 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: 4, replica: 9 ===================================== Write number: 392 Temperature: 1.050000 Total energy: -37.110495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.110495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.110495 (E_RNA) where: Base-Base interactions energy: -11.904 where: short stacking energy: -11.904 Base-Backbone interact. energy: -0.001 local terms energy: -25.205781 where: bonds (distance) C4'-P energy: -5.091 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -6.852 flat angles P-C4'-P energy: -2.636 tors. eta vs tors. theta energy: -3.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 392 Temperature: 1.100000 Total energy: -38.962854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.962854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.962854 (E_RNA) where: Base-Base interactions energy: -13.694 where: short stacking energy: -13.694 Base-Backbone interact. energy: -0.000 local terms energy: -25.268315 where: bonds (distance) C4'-P energy: -5.650 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -3.220 flat angles P-C4'-P energy: -3.783 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: 6, replica: 1 ===================================== Write number: 392 Temperature: 1.150000 Total energy: -33.284377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.284377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.284377 (E_RNA) where: Base-Base interactions energy: -9.859 where: short stacking energy: -9.859 Base-Backbone interact. energy: -0.003 local terms energy: -23.422377 where: bonds (distance) C4'-P energy: -5.982 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -5.237 flat angles P-C4'-P energy: -4.503 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: 7, replica: 10 ===================================== Write number: 392 Temperature: 1.200000 Total energy: -31.459098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.459098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.459098 (E_RNA) where: Base-Base interactions energy: -12.187 where: short stacking energy: -12.187 Base-Backbone interact. energy: -0.002 local terms energy: -19.269598 where: bonds (distance) C4'-P energy: -4.988 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -1.812 flat angles P-C4'-P energy: -2.260 tors. eta vs tors. theta energy: -3.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 392 Temperature: 1.250000 Total energy: -30.384406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.384406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.384406 (E_RNA) where: Base-Base interactions energy: -10.673 where: short stacking energy: -10.673 Base-Backbone interact. energy: -0.001 local terms energy: -19.710024 where: bonds (distance) C4'-P energy: -3.841 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -6.221 flat angles P-C4'-P energy: -2.681 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: 2 ===================================== Write number: 392 Temperature: 1.300000 Total energy: -24.339328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.339328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.339328 (E_RNA) where: Base-Base interactions energy: -4.123 where: short stacking energy: -4.123 Base-Backbone interact. energy: -0.021 local terms energy: -20.195755 where: bonds (distance) C4'-P energy: -5.473 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -4.123 flat angles P-C4'-P energy: -3.646 tors. eta vs tors. theta energy: -0.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 392 Temperature: 1.350000 Total energy: -28.853072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.853072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.853072 (E_RNA) where: Base-Base interactions energy: -8.727 where: short stacking energy: -8.727 Base-Backbone interact. energy: -0.094 local terms energy: -20.032153 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -5.361 flat angles C4'-P-C4' energy: -6.732 flat angles P-C4'-P energy: -3.561 tors. eta vs tors. theta energy: 0.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 393 Temperature: 0.900000 Total energy: -44.634163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.634163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.634163 (E_RNA) where: Base-Base interactions energy: -16.358 where: short stacking energy: -16.358 Base-Backbone interact. energy: -0.000 local terms energy: -28.276181 where: bonds (distance) C4'-P energy: -6.105 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -5.491 flat angles P-C4'-P energy: -4.927 tors. eta vs tors. theta energy: -5.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 393 Temperature: 0.950000 Total energy: -36.142303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.142303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.142303 (E_RNA) where: Base-Base interactions energy: -13.419 where: short stacking energy: -13.419 Base-Backbone interact. energy: -0.008 local terms energy: -22.715666 where: bonds (distance) C4'-P energy: -5.866 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -6.293 flat angles P-C4'-P energy: -2.247 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: 3, replica: 4 ===================================== Write number: 393 Temperature: 1.000000 Total energy: -38.230416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.230416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.230416 (E_RNA) where: Base-Base interactions energy: -10.375 where: short stacking energy: -10.375 Base-Backbone interact. energy: -0.000 local terms energy: -27.855078 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -5.597 flat angles C4'-P-C4' energy: -5.849 flat angles P-C4'-P energy: -5.023 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: 8 ===================================== Write number: 393 Temperature: 1.050000 Total energy: -34.387849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.387849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.387849 (E_RNA) where: Base-Base interactions energy: -13.050 where: short stacking energy: -13.050 Base-Backbone interact. energy: -0.005 local terms energy: -21.332785 where: bonds (distance) C4'-P energy: -4.632 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.568 flat angles P-C4'-P energy: -2.622 tors. eta vs tors. theta energy: -1.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 393 Temperature: 1.100000 Total energy: -36.212043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.212043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.212043 (E_RNA) where: Base-Base interactions energy: -11.331 where: short stacking energy: -11.331 Base-Backbone interact. energy: -0.001 local terms energy: -24.880423 where: bonds (distance) C4'-P energy: -5.775 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -5.601 flat angles P-C4'-P energy: -2.496 tors. eta vs tors. theta energy: -4.788 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: 1 ===================================== Write number: 393 Temperature: 1.150000 Total energy: -34.219624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.219624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.219624 (E_RNA) where: Base-Base interactions energy: -14.137 where: short stacking energy: -14.137 Base-Backbone interact. energy: -0.012 local terms energy: -20.070588 where: bonds (distance) C4'-P energy: -3.427 bonds (distance) P-C4' energy: -4.593 flat angles C4'-P-C4' energy: -5.547 flat angles P-C4'-P energy: -3.290 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: 7, replica: 10 ===================================== Write number: 393 Temperature: 1.200000 Total energy: -31.827691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.827691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.827691 (E_RNA) where: Base-Base interactions energy: -9.621 where: short stacking energy: -9.621 Base-Backbone interact. energy: -0.036 local terms energy: -22.170100 where: bonds (distance) C4'-P energy: -5.207 bonds (distance) P-C4' energy: -5.920 flat angles C4'-P-C4' energy: -5.412 flat angles P-C4'-P energy: -3.503 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: 8, replica: 2 ===================================== Write number: 393 Temperature: 1.250000 Total energy: -35.165036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.165036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.165036 (E_RNA) where: Base-Base interactions energy: -10.810 where: short stacking energy: -11.084 Base-Backbone interact. energy: -0.000 local terms energy: -24.355223 where: bonds (distance) C4'-P energy: -6.105 bonds (distance) P-C4' energy: -6.438 flat angles C4'-P-C4' energy: -5.994 flat angles P-C4'-P energy: -5.026 tors. eta vs tors. theta energy: -0.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 393 Temperature: 1.300000 Total energy: -32.805492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.805492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.805492 (E_RNA) where: Base-Base interactions energy: -8.752 where: short stacking energy: -8.752 Base-Backbone interact. energy: -0.024 local terms energy: -24.028835 where: bonds (distance) C4'-P energy: -6.254 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -4.984 flat angles P-C4'-P energy: -4.518 tors. eta vs tors. theta energy: -2.076 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: 10, replica: 5 ===================================== Write number: 393 Temperature: 1.350000 Total energy: -26.883924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.883924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.883924 (E_RNA) where: Base-Base interactions energy: -5.912 where: short stacking energy: -5.912 Base-Backbone interact. energy: -0.005 local terms energy: -20.967828 where: bonds (distance) C4'-P energy: -5.750 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -4.733 flat angles P-C4'-P energy: -1.783 tors. eta vs tors. theta energy: -1.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 394 Temperature: 0.900000 Total energy: -40.775458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.775458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.775458 (E_RNA) where: Base-Base interactions energy: -13.734 where: short stacking energy: -13.734 Base-Backbone interact. energy: -0.000 local terms energy: -27.041712 where: bonds (distance) C4'-P energy: -6.098 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -5.446 flat angles P-C4'-P energy: -5.219 tors. eta vs tors. theta energy: -3.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 394 Temperature: 0.950000 Total energy: -39.839898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.839898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.839898 (E_RNA) where: Base-Base interactions energy: -15.562 where: short stacking energy: -15.562 Base-Backbone interact. energy: -0.000 local terms energy: -24.278214 where: bonds (distance) C4'-P energy: -5.063 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -6.376 flat angles P-C4'-P energy: -4.089 tors. eta vs tors. theta energy: -2.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 394 Temperature: 1.000000 Total energy: -38.236273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.236273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.236273 (E_RNA) where: Base-Base interactions energy: -15.621 where: short stacking energy: -15.621 Base-Backbone interact. energy: -0.002 local terms energy: -22.613948 where: bonds (distance) C4'-P energy: -4.851 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -4.572 flat angles P-C4'-P energy: -4.389 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: 4, replica: 4 ===================================== Write number: 394 Temperature: 1.050000 Total energy: -40.870162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.870162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.870162 (E_RNA) where: Base-Base interactions energy: -13.900 where: short stacking energy: -13.900 Base-Backbone interact. energy: -0.003 local terms energy: -26.966777 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.301 flat angles P-C4'-P energy: -4.894 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: 5, replica: 1 ===================================== Write number: 394 Temperature: 1.100000 Total energy: -37.610562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.610562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.610562 (E_RNA) where: Base-Base interactions energy: -14.578 where: short stacking energy: -14.578 Base-Backbone interact. energy: -0.007 local terms energy: -23.024903 where: bonds (distance) C4'-P energy: -5.866 bonds (distance) P-C4' energy: -6.447 flat angles C4'-P-C4' energy: -4.654 flat angles P-C4'-P energy: -2.671 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: 6, replica: 9 ===================================== Write number: 394 Temperature: 1.150000 Total energy: -34.019299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.019299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.019299 (E_RNA) where: Base-Base interactions energy: -13.360 where: short stacking energy: -13.360 Base-Backbone interact. energy: -0.021 local terms energy: -20.637653 where: bonds (distance) C4'-P energy: -4.434 bonds (distance) P-C4' energy: -5.966 flat angles C4'-P-C4' energy: -6.480 flat angles P-C4'-P energy: -1.675 tors. eta vs tors. theta energy: -2.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 394 Temperature: 1.200000 Total energy: -35.986863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.986863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.986863 (E_RNA) where: Base-Base interactions energy: -10.799 where: short stacking energy: -10.799 Base-Backbone interact. energy: -0.103 local terms energy: -25.085129 where: bonds (distance) C4'-P energy: -4.863 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -6.097 flat angles P-C4'-P energy: -4.225 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: 8, replica: 10 ===================================== Write number: 394 Temperature: 1.250000 Total energy: -35.006251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.006251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.006251 (E_RNA) where: Base-Base interactions energy: -14.578 where: short stacking energy: -14.578 Base-Backbone interact. energy: -0.015 local terms energy: -20.413348 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -3.538 flat angles P-C4'-P energy: -2.048 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: 9, replica: 5 ===================================== Write number: 394 Temperature: 1.300000 Total energy: -31.780261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.780261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.780261 (E_RNA) where: Base-Base interactions energy: -9.807 where: short stacking energy: -9.807 Base-Backbone interact. energy: -0.003 local terms energy: -21.970730 where: bonds (distance) C4'-P energy: -5.269 bonds (distance) P-C4' energy: -4.367 flat angles C4'-P-C4' energy: -5.425 flat angles P-C4'-P energy: -3.930 tors. eta vs tors. theta energy: -2.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 394 Temperature: 1.350000 Total energy: -26.479261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.479261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.479261 (E_RNA) where: Base-Base interactions energy: -6.379 where: short stacking energy: -6.379 Base-Backbone interact. energy: -0.004 local terms energy: -20.096605 where: bonds (distance) C4'-P energy: -5.021 bonds (distance) P-C4' energy: -6.873 flat angles C4'-P-C4' energy: -5.219 flat angles P-C4'-P energy: -2.856 tors. eta vs tors. theta energy: -0.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 395 Temperature: 0.900000 Total energy: -39.117334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.117334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.117334 (E_RNA) where: Base-Base interactions energy: -14.724 where: short stacking energy: -14.724 Base-Backbone interact. energy: -0.001 local terms energy: -24.392056 where: bonds (distance) C4'-P energy: -5.484 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -5.441 flat angles P-C4'-P energy: -4.537 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: 2, replica: 8 ===================================== Write number: 395 Temperature: 0.950000 Total energy: -43.965794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.965794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.965794 (E_RNA) where: Base-Base interactions energy: -17.657 where: short stacking energy: -17.657 Base-Backbone interact. energy: -0.000 local terms energy: -26.308291 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.873 flat angles C4'-P-C4' energy: -5.656 flat angles P-C4'-P energy: -4.445 tors. eta vs tors. theta energy: -3.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 395 Temperature: 1.000000 Total energy: -34.630541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.630541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.630541 (E_RNA) where: Base-Base interactions energy: -12.239 where: short stacking energy: -12.239 Base-Backbone interact. energy: -0.065 local terms energy: -22.326176 where: bonds (distance) C4'-P energy: -5.518 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -6.376 flat angles P-C4'-P energy: -2.832 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: 4, replica: 1 ===================================== Write number: 395 Temperature: 1.050000 Total energy: -38.361454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.361454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.361454 (E_RNA) where: Base-Base interactions energy: -17.195 where: short stacking energy: -17.195 Base-Backbone interact. energy: -0.095 local terms energy: -21.071180 where: bonds (distance) C4'-P energy: -4.516 bonds (distance) P-C4' energy: -6.189 flat angles C4'-P-C4' energy: -4.745 flat angles P-C4'-P energy: -2.285 tors. eta vs tors. theta energy: -3.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 395 Temperature: 1.100000 Total energy: -37.243767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.243767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.243767 (E_RNA) where: Base-Base interactions energy: -11.900 where: short stacking energy: -11.900 Base-Backbone interact. energy: -0.000 local terms energy: -25.343339 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -5.826 flat angles C4'-P-C4' energy: -5.779 flat angles P-C4'-P energy: -4.495 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: 6, replica: 2 ===================================== Write number: 395 Temperature: 1.150000 Total energy: -34.211155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.211155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.211155 (E_RNA) where: Base-Base interactions energy: -12.122 where: short stacking energy: -12.122 Base-Backbone interact. energy: -0.000 local terms energy: -22.089279 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -6.501 flat angles P-C4'-P energy: 1.407 tors. eta vs tors. theta energy: -4.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 395 Temperature: 1.200000 Total energy: -36.382650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.382650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.382650 (E_RNA) where: Base-Base interactions energy: -13.090 where: short stacking energy: -13.090 Base-Backbone interact. energy: -0.000 local terms energy: -23.292843 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -6.520 flat angles P-C4'-P energy: -1.823 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: 8, replica: 5 ===================================== Write number: 395 Temperature: 1.250000 Total energy: -30.031939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.031939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.031939 (E_RNA) where: Base-Base interactions energy: -8.538 where: short stacking energy: -8.538 Base-Backbone interact. energy: -0.021 local terms energy: -21.472977 where: bonds (distance) C4'-P energy: -4.781 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -6.369 flat angles P-C4'-P energy: -4.690 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: 9, replica: 10 ===================================== Write number: 395 Temperature: 1.300000 Total energy: -30.390696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.390696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.390696 (E_RNA) where: Base-Base interactions energy: -9.917 where: short stacking energy: -9.917 Base-Backbone interact. energy: -0.006 local terms energy: -20.467999 where: bonds (distance) C4'-P energy: -5.045 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -5.372 flat angles P-C4'-P energy: -3.646 tors. eta vs tors. theta energy: -1.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 395 Temperature: 1.350000 Total energy: -31.473077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.473077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.473077 (E_RNA) where: Base-Base interactions energy: -10.080 where: short stacking energy: -10.080 Base-Backbone interact. energy: -0.056 local terms energy: -21.337245 where: bonds (distance) C4'-P energy: -5.075 bonds (distance) P-C4' energy: -4.821 flat angles C4'-P-C4' energy: -5.496 flat angles P-C4'-P energy: -3.577 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: 1, replica: 3 ===================================== Write number: 396 Temperature: 0.900000 Total energy: -38.506459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.506459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.506459 (E_RNA) where: Base-Base interactions energy: -13.939 where: short stacking energy: -13.939 Base-Backbone interact. energy: -0.001 local terms energy: -24.566804 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -7.144 flat angles C4'-P-C4' energy: -5.175 flat angles P-C4'-P energy: -3.603 tors. eta vs tors. theta energy: -2.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 396 Temperature: 0.950000 Total energy: -33.695999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.695999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.695999 (E_RNA) where: Base-Base interactions energy: -11.087 where: short stacking energy: -11.087 Base-Backbone interact. energy: -0.000 local terms energy: -22.608514 where: bonds (distance) C4'-P energy: -5.766 bonds (distance) P-C4' energy: -6.438 flat angles C4'-P-C4' energy: -5.953 flat angles P-C4'-P energy: -3.179 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: 3, replica: 1 ===================================== Write number: 396 Temperature: 1.000000 Total energy: -39.269508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.269508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.269508 (E_RNA) where: Base-Base interactions energy: -13.499 where: short stacking energy: -13.499 Base-Backbone interact. energy: -0.003 local terms energy: -25.768186 where: bonds (distance) C4'-P energy: -5.953 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -6.455 flat angles P-C4'-P energy: -5.212 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: 7 ===================================== Write number: 396 Temperature: 1.050000 Total energy: -37.021010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.021010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.021010 (E_RNA) where: Base-Base interactions energy: -14.634 where: short stacking energy: -14.634 Base-Backbone interact. energy: -0.001 local terms energy: -22.385960 where: bonds (distance) C4'-P energy: -4.959 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -5.445 flat angles P-C4'-P energy: -4.001 tors. eta vs tors. theta energy: -0.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 396 Temperature: 1.100000 Total energy: -33.447070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.447070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.447070 (E_RNA) where: Base-Base interactions energy: -13.312 where: short stacking energy: -13.312 Base-Backbone interact. energy: -0.269 local terms energy: -19.865423 where: bonds (distance) C4'-P energy: -6.023 bonds (distance) P-C4' energy: -5.491 flat angles C4'-P-C4' energy: -3.460 flat angles P-C4'-P energy: -2.876 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: 6, replica: 4 ===================================== Write number: 396 Temperature: 1.150000 Total energy: -33.992623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.992623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.992623 (E_RNA) where: Base-Base interactions energy: -12.102 where: short stacking energy: -12.102 Base-Backbone interact. energy: -0.003 local terms energy: -21.887824 where: bonds (distance) C4'-P energy: -5.990 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -5.798 flat angles P-C4'-P energy: -3.711 tors. eta vs tors. theta energy: -0.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 396 Temperature: 1.200000 Total energy: -40.211038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.211038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.211038 (E_RNA) where: Base-Base interactions energy: -14.050 where: short stacking energy: -14.050 Base-Backbone interact. energy: -0.000 local terms energy: -26.161074 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -3.554 flat angles P-C4'-P energy: -5.188 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: 8, replica: 9 ===================================== Write number: 396 Temperature: 1.250000 Total energy: -30.510828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.510828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.510828 (E_RNA) where: Base-Base interactions energy: -8.123 where: short stacking energy: -8.893 Base-Backbone interact. energy: -1.174 local terms energy: -21.213741 where: bonds (distance) C4'-P energy: -4.425 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -5.464 flat angles P-C4'-P energy: -2.730 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: 9, replica: 6 ===================================== Write number: 396 Temperature: 1.300000 Total energy: -29.501116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.501116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.501116 (E_RNA) where: Base-Base interactions energy: -11.472 where: short stacking energy: -11.472 Base-Backbone interact. energy: -0.053 local terms energy: -17.975852 where: bonds (distance) C4'-P energy: -6.147 bonds (distance) P-C4' energy: -4.057 flat angles C4'-P-C4' energy: -3.306 flat angles P-C4'-P energy: -3.785 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: 10, replica: 10 ===================================== Write number: 396 Temperature: 1.350000 Total energy: -29.655480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.655480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.655480 (E_RNA) where: Base-Base interactions energy: -9.240 where: short stacking energy: -9.240 Base-Backbone interact. energy: -0.002 local terms energy: -20.413828 where: bonds (distance) C4'-P energy: -5.473 bonds (distance) P-C4' energy: -5.966 flat angles C4'-P-C4' energy: -5.991 flat angles P-C4'-P energy: -3.001 tors. eta vs tors. theta energy: 0.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 397 Temperature: 0.900000 Total energy: -38.118712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.118712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.118712 (E_RNA) where: Base-Base interactions energy: -15.176 where: short stacking energy: -15.176 Base-Backbone interact. energy: -0.108 local terms energy: -22.834859 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -4.786 flat angles C4'-P-C4' energy: -5.585 flat angles P-C4'-P energy: -5.123 tors. eta vs tors. theta energy: -1.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 397 Temperature: 0.950000 Total energy: -37.559603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.559603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.559603 (E_RNA) where: Base-Base interactions energy: -13.277 where: short stacking energy: -13.277 Base-Backbone interact. energy: -0.001 local terms energy: -24.281312 where: bonds (distance) C4'-P energy: -5.091 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -6.593 flat angles P-C4'-P energy: -3.773 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: 3, replica: 8 ===================================== Write number: 397 Temperature: 1.000000 Total energy: -35.878900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.878900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.878900 (E_RNA) where: Base-Base interactions energy: -14.506 where: short stacking energy: -14.506 Base-Backbone interact. energy: -0.009 local terms energy: -21.363385 where: bonds (distance) C4'-P energy: -4.747 bonds (distance) P-C4' energy: -5.833 flat angles C4'-P-C4' energy: -4.581 flat angles P-C4'-P energy: -3.180 tors. eta vs tors. theta energy: -3.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 397 Temperature: 1.050000 Total energy: -38.662712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.662712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.662712 (E_RNA) where: Base-Base interactions energy: -14.885 where: short stacking energy: -14.885 Base-Backbone interact. energy: -0.000 local terms energy: -23.777254 where: bonds (distance) C4'-P energy: -5.518 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -5.406 flat angles P-C4'-P energy: -2.763 tors. eta vs tors. theta energy: -3.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 397 Temperature: 1.100000 Total energy: -39.163991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.163991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.163991 (E_RNA) where: Base-Base interactions energy: -13.413 where: short stacking energy: -13.413 Base-Backbone interact. energy: -0.009 local terms energy: -25.741951 where: bonds (distance) C4'-P energy: -6.105 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -4.116 flat angles P-C4'-P energy: -4.638 tors. eta vs tors. theta energy: -3.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 397 Temperature: 1.150000 Total energy: -33.088201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.088201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.088201 (E_RNA) where: Base-Base interactions energy: -14.017 where: short stacking energy: -14.017 Base-Backbone interact. energy: -0.018 local terms energy: -19.053508 where: bonds (distance) C4'-P energy: -1.833 bonds (distance) P-C4' energy: -5.298 flat angles C4'-P-C4' energy: -5.124 flat angles P-C4'-P energy: -4.099 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: 7, replica: 4 ===================================== Write number: 397 Temperature: 1.200000 Total energy: -36.366205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.366205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.366205 (E_RNA) where: Base-Base interactions energy: -11.836 where: short stacking energy: -11.836 Base-Backbone interact. energy: -0.009 local terms energy: -24.520427 where: bonds (distance) C4'-P energy: -3.390 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -4.696 flat angles P-C4'-P energy: -4.640 tors. eta vs tors. theta energy: -5.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 397 Temperature: 1.250000 Total energy: -32.152457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.152457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.152457 (E_RNA) where: Base-Base interactions energy: -9.958 where: short stacking energy: -9.958 Base-Backbone interact. energy: -0.000 local terms energy: -22.194162 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -3.418 flat angles P-C4'-P energy: -4.946 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: 9, replica: 9 ===================================== Write number: 397 Temperature: 1.300000 Total energy: -27.564836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.564836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.564836 (E_RNA) where: Base-Base interactions energy: -8.740 where: short stacking energy: -8.740 Base-Backbone interact. energy: -0.011 local terms energy: -18.813594 where: bonds (distance) C4'-P energy: -2.350 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -5.844 flat angles P-C4'-P energy: -3.322 tors. eta vs tors. theta energy: -0.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 397 Temperature: 1.350000 Total energy: -26.619092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.619092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.619092 (E_RNA) where: Base-Base interactions energy: -8.646 where: short stacking energy: -8.646 Base-Backbone interact. energy: -0.174 local terms energy: -17.798289 where: bonds (distance) C4'-P energy: -4.453 bonds (distance) P-C4' energy: -4.233 flat angles C4'-P-C4' energy: -4.539 flat angles P-C4'-P energy: -3.187 tors. eta vs tors. theta energy: -1.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 398 Temperature: 0.900000 Total energy: -41.908011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.908011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.908011 (E_RNA) where: Base-Base interactions energy: -15.807 where: short stacking energy: -15.807 Base-Backbone interact. energy: -0.083 local terms energy: -26.018377 where: bonds (distance) C4'-P energy: -5.688 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -5.126 flat angles P-C4'-P energy: -4.381 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: 2, replica: 3 ===================================== Write number: 398 Temperature: 0.950000 Total energy: -38.627092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.627092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.627092 (E_RNA) where: Base-Base interactions energy: -14.411 where: short stacking energy: -13.049 Base-Backbone interact. energy: -0.298 local terms energy: -23.918142 where: bonds (distance) C4'-P energy: -4.913 bonds (distance) P-C4' energy: -5.600 flat angles C4'-P-C4' energy: -4.698 flat angles P-C4'-P energy: -4.550 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: 3, replica: 2 ===================================== Write number: 398 Temperature: 1.000000 Total energy: -43.404821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.404821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.404821 (E_RNA) where: Base-Base interactions energy: -16.508 where: short stacking energy: -16.508 Base-Backbone interact. energy: -0.005 local terms energy: -26.891652 where: bonds (distance) C4'-P energy: -5.419 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -6.058 flat angles P-C4'-P energy: -3.832 tors. eta vs tors. theta energy: -5.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 398 Temperature: 1.050000 Total energy: -36.040987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.040987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.040987 (E_RNA) where: Base-Base interactions energy: -14.833 where: short stacking energy: -14.833 Base-Backbone interact. energy: -0.147 local terms energy: -21.061069 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -5.956 flat angles C4'-P-C4' energy: -5.262 flat angles P-C4'-P energy: -3.925 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: 5, replica: 5 ===================================== Write number: 398 Temperature: 1.100000 Total energy: -31.769705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.769705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.769705 (E_RNA) where: Base-Base interactions energy: -8.776 where: short stacking energy: -8.776 Base-Backbone interact. energy: -0.004 local terms energy: -22.990176 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -5.050 flat angles P-C4'-P energy: -1.911 tors. eta vs tors. theta energy: -4.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 398 Temperature: 1.150000 Total energy: -34.866018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.866018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.866018 (E_RNA) where: Base-Base interactions energy: -10.235 where: short stacking energy: -10.235 Base-Backbone interact. energy: -0.000 local terms energy: -24.631181 where: bonds (distance) C4'-P energy: -5.021 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -4.961 flat angles P-C4'-P energy: -3.895 tors. eta vs tors. theta energy: -4.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 398 Temperature: 1.200000 Total energy: -35.081526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.081526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.081526 (E_RNA) where: Base-Base interactions energy: -10.105 where: short stacking energy: -10.105 Base-Backbone interact. energy: -0.001 local terms energy: -24.975993 where: bonds (distance) C4'-P energy: -5.225 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -5.542 flat angles P-C4'-P energy: -4.842 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: 8, replica: 4 ===================================== Write number: 398 Temperature: 1.250000 Total energy: -31.816706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.816706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.816706 (E_RNA) where: Base-Base interactions energy: -9.320 where: short stacking energy: -9.320 Base-Backbone interact. energy: -0.033 local terms energy: -22.463432 where: bonds (distance) C4'-P energy: -6.006 bonds (distance) P-C4' energy: -4.914 flat angles C4'-P-C4' energy: -5.990 flat angles P-C4'-P energy: -4.716 tors. eta vs tors. theta energy: -0.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 398 Temperature: 1.300000 Total energy: -28.172356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.172356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.172356 (E_RNA) where: Base-Base interactions energy: -9.490 where: short stacking energy: -9.490 Base-Backbone interact. energy: -0.000 local terms energy: -18.682050 where: bonds (distance) C4'-P energy: -4.703 bonds (distance) P-C4' energy: -5.318 flat angles C4'-P-C4' energy: -2.950 flat angles P-C4'-P energy: -4.393 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: 10, replica: 9 ===================================== Write number: 398 Temperature: 1.350000 Total energy: -25.416200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.416200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.416200 (E_RNA) where: Base-Base interactions energy: -8.987 where: short stacking energy: -8.987 Base-Backbone interact. energy: -0.095 local terms energy: -16.333901 where: bonds (distance) C4'-P energy: -3.778 bonds (distance) P-C4' energy: -3.518 flat angles C4'-P-C4' energy: -5.567 flat angles P-C4'-P energy: -3.554 tors. eta vs tors. theta energy: 0.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 399 Temperature: 0.900000 Total energy: -40.049829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.049829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.049829 (E_RNA) where: Base-Base interactions energy: -14.408 where: short stacking energy: -14.408 Base-Backbone interact. energy: -0.012 local terms energy: -25.629130 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -4.956 flat angles P-C4'-P energy: -4.827 tors. eta vs tors. theta energy: -3.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 399 Temperature: 0.950000 Total energy: -41.223801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.223801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.223801 (E_RNA) where: Base-Base interactions energy: -14.141 where: short stacking energy: -14.141 Base-Backbone interact. energy: -0.001 local terms energy: -27.081559 where: bonds (distance) C4'-P energy: -5.837 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -5.156 flat angles P-C4'-P energy: -5.601 tors. eta vs tors. theta energy: -3.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 399 Temperature: 1.000000 Total energy: -38.536029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.536029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.536029 (E_RNA) where: Base-Base interactions energy: -14.769 where: short stacking energy: -14.769 Base-Backbone interact. energy: -0.003 local terms energy: -23.763819 where: bonds (distance) C4'-P energy: -5.402 bonds (distance) P-C4' energy: -6.122 flat angles C4'-P-C4' energy: -4.328 flat angles P-C4'-P energy: -2.884 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: 4, replica: 5 ===================================== Write number: 399 Temperature: 1.050000 Total energy: -42.020515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.020515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.020515 (E_RNA) where: Base-Base interactions energy: -17.957 where: short stacking energy: -17.957 Base-Backbone interact. energy: -0.000 local terms energy: -24.063059 where: bonds (distance) C4'-P energy: -5.501 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -5.472 flat angles P-C4'-P energy: -2.084 tors. eta vs tors. theta energy: -4.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 399 Temperature: 1.100000 Total energy: -39.820829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.820829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.820829 (E_RNA) where: Base-Base interactions energy: -16.842 where: short stacking energy: -16.842 Base-Backbone interact. energy: -0.000 local terms energy: -22.978734 where: bonds (distance) C4'-P energy: -3.195 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -6.008 flat angles P-C4'-P energy: -3.138 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: 6, replica: 6 ===================================== Write number: 399 Temperature: 1.150000 Total energy: -30.539626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.539626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.539626 (E_RNA) where: Base-Base interactions energy: -6.781 where: short stacking energy: -6.781 Base-Backbone interact. energy: -0.209 local terms energy: -23.549650 where: bonds (distance) C4'-P energy: -6.105 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.778 flat angles P-C4'-P energy: -3.196 tors. eta vs tors. theta energy: -1.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 399 Temperature: 1.200000 Total energy: -33.150469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.150469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.150469 (E_RNA) where: Base-Base interactions energy: -12.224 where: short stacking energy: -12.224 Base-Backbone interact. energy: -0.000 local terms energy: -20.926492 where: bonds (distance) C4'-P energy: -4.880 bonds (distance) P-C4' energy: -4.631 flat angles C4'-P-C4' energy: -6.907 flat angles P-C4'-P energy: -2.449 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: 8, replica: 10 ===================================== Write number: 399 Temperature: 1.250000 Total energy: -30.271059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.271059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.271059 (E_RNA) where: Base-Base interactions energy: -8.208 where: short stacking energy: -8.208 Base-Backbone interact. energy: -0.032 local terms energy: -22.030837 where: bonds (distance) C4'-P energy: -5.340 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -6.240 flat angles P-C4'-P energy: -2.752 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: 9, replica: 4 ===================================== Write number: 399 Temperature: 1.300000 Total energy: -30.409201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.409201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.409201 (E_RNA) where: Base-Base interactions energy: -13.432 where: short stacking energy: -13.432 Base-Backbone interact. energy: -0.000 local terms energy: -16.976695 where: bonds (distance) C4'-P energy: -4.388 bonds (distance) P-C4' energy: -5.248 flat angles C4'-P-C4' energy: -2.716 flat angles P-C4'-P energy: -2.608 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: 10, replica: 9 ===================================== Write number: 399 Temperature: 1.350000 Total energy: -29.719412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.719412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.719412 (E_RNA) where: Base-Base interactions energy: -9.730 where: short stacking energy: -9.730 Base-Backbone interact. energy: -0.105 local terms energy: -19.884809 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.382 flat angles C4'-P-C4' energy: -4.547 flat angles P-C4'-P energy: -4.256 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: 1, replica: 3 ===================================== Write number: 400 Temperature: 0.900000 Total energy: -34.939707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.939707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.939707 (E_RNA) where: Base-Base interactions energy: -9.914 where: short stacking energy: -9.914 Base-Backbone interact. energy: -0.074 local terms energy: -24.951622 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -6.886 flat angles C4'-P-C4' energy: -4.984 flat angles P-C4'-P energy: -4.820 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: 1 ===================================== Write number: 400 Temperature: 0.950000 Total energy: -40.784528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.784528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.784528 (E_RNA) where: Base-Base interactions energy: -16.676 where: short stacking energy: -16.676 Base-Backbone interact. energy: -0.010 local terms energy: -24.098308 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -5.534 flat angles C4'-P-C4' energy: -6.132 flat angles P-C4'-P energy: -2.129 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: 3, replica: 5 ===================================== Write number: 400 Temperature: 1.000000 Total energy: -38.088397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.088397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.088397 (E_RNA) where: Base-Base interactions energy: -16.806 where: short stacking energy: -16.806 Base-Backbone interact. energy: -0.000 local terms energy: -21.281899 where: bonds (distance) C4'-P energy: -5.543 bonds (distance) P-C4' energy: -6.361 flat angles C4'-P-C4' energy: -4.529 flat angles P-C4'-P energy: -3.521 tors. eta vs tors. theta energy: -1.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 400 Temperature: 1.050000 Total energy: -32.214110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.214110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.214110 (E_RNA) where: Base-Base interactions energy: -9.910 where: short stacking energy: -9.910 Base-Backbone interact. energy: -0.078 local terms energy: -22.226119 where: bonds (distance) C4'-P energy: -5.990 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -3.601 flat angles P-C4'-P energy: -4.682 tors. eta vs tors. theta energy: -1.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 400 Temperature: 1.100000 Total energy: -31.154118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.154118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.154118 (E_RNA) where: Base-Base interactions energy: -10.313 where: short stacking energy: -10.313 Base-Backbone interact. energy: -0.001 local terms energy: -20.840206 where: bonds (distance) C4'-P energy: -5.589 bonds (distance) P-C4' energy: -5.110 flat angles C4'-P-C4' energy: -5.696 flat angles P-C4'-P energy: -2.073 tors. eta vs tors. theta energy: -2.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 400 Temperature: 1.150000 Total energy: -36.151720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.151720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.151720 (E_RNA) where: Base-Base interactions energy: -10.969 where: short stacking energy: -9.669 Base-Backbone interact. energy: -0.170 local terms energy: -25.012980 where: bonds (distance) C4'-P energy: -4.996 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -6.217 flat angles P-C4'-P energy: -2.422 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: 7, replica: 10 ===================================== Write number: 400 Temperature: 1.200000 Total energy: -31.649767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.649767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.649767 (E_RNA) where: Base-Base interactions energy: -7.928 where: short stacking energy: -7.928 Base-Backbone interact. energy: -0.000 local terms energy: -23.721831 where: bonds (distance) C4'-P energy: -5.163 bonds (distance) P-C4' energy: -6.873 flat angles C4'-P-C4' energy: -3.679 flat angles P-C4'-P energy: -3.471 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: 8, replica: 7 ===================================== Write number: 400 Temperature: 1.250000 Total energy: -32.010885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.010885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.010885 (E_RNA) where: Base-Base interactions energy: -10.235 where: short stacking energy: -10.235 Base-Backbone interact. energy: -0.018 local terms energy: -21.758054 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -3.585 flat angles C4'-P-C4' energy: -5.227 flat angles P-C4'-P energy: -3.339 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: 9, replica: 9 ===================================== Write number: 400 Temperature: 1.300000 Total energy: -33.599813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.599813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.599813 (E_RNA) where: Base-Base interactions energy: -13.954 where: short stacking energy: -13.954 Base-Backbone interact. energy: -0.000 local terms energy: -19.646236 where: bonds (distance) C4'-P energy: -3.030 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -4.368 flat angles P-C4'-P energy: -4.214 tors. eta vs tors. theta energy: -1.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 400 Temperature: 1.350000 Total energy: -29.837558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.837558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.837558 (E_RNA) where: Base-Base interactions energy: -13.641 where: short stacking energy: -13.641 Base-Backbone interact. energy: 0.173 local terms energy: -16.369353 where: bonds (distance) C4'-P energy: -3.841 bonds (distance) P-C4' energy: -5.258 flat angles C4'-P-C4' energy: -4.870 flat angles P-C4'-P energy: -3.024 tors. eta vs tors. theta energy: 0.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 401 Temperature: 0.900000 Total energy: -44.294952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.294952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.294952 (E_RNA) where: Base-Base interactions energy: -18.829 where: short stacking energy: -18.829 Base-Backbone interact. energy: -0.000 local terms energy: -25.465385 where: bonds (distance) C4'-P energy: -4.090 bonds (distance) P-C4' energy: -5.892 flat angles C4'-P-C4' energy: -5.412 flat angles P-C4'-P energy: -4.070 tors. eta vs tors. theta energy: -6.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 401 Temperature: 0.950000 Total energy: -39.505226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.505226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.505226 (E_RNA) where: Base-Base interactions energy: -13.568 where: short stacking energy: -13.568 Base-Backbone interact. energy: -0.021 local terms energy: -25.915596 where: bonds (distance) C4'-P energy: -5.580 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -5.766 flat angles P-C4'-P energy: -5.430 tors. eta vs tors. theta energy: -2.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 401 Temperature: 1.000000 Total energy: -34.924320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.924320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.924320 (E_RNA) where: Base-Base interactions energy: -12.690 where: short stacking energy: -12.690 Base-Backbone interact. energy: 0.488 local terms energy: -22.722257 where: bonds (distance) C4'-P energy: -5.543 bonds (distance) P-C4' energy: -5.864 flat angles C4'-P-C4' energy: -5.676 flat angles P-C4'-P energy: -3.229 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: 4, replica: 6 ===================================== Write number: 401 Temperature: 1.050000 Total energy: -37.723854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.723854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.723854 (E_RNA) where: Base-Base interactions energy: -15.020 where: short stacking energy: -15.020 Base-Backbone interact. energy: -0.000 local terms energy: -22.704173 where: bonds (distance) C4'-P energy: -5.109 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -2.485 flat angles P-C4'-P energy: -3.030 tors. eta vs tors. theta energy: -5.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 401 Temperature: 1.100000 Total energy: -35.465470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.465470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.465470 (E_RNA) where: Base-Base interactions energy: -12.784 where: short stacking energy: -12.784 Base-Backbone interact. energy: -0.061 local terms energy: -22.620769 where: bonds (distance) C4'-P energy: -5.484 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -6.117 flat angles P-C4'-P energy: -2.978 tors. eta vs tors. theta energy: -1.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 401 Temperature: 1.150000 Total energy: -31.974052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.974052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.974052 (E_RNA) where: Base-Base interactions energy: -10.939 where: short stacking energy: -10.939 Base-Backbone interact. energy: -0.021 local terms energy: -21.014036 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -4.174 flat angles C4'-P-C4' energy: -6.181 flat angles P-C4'-P energy: -4.905 tors. eta vs tors. theta energy: 0.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 401 Temperature: 1.200000 Total energy: -32.357249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.357249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.357249 (E_RNA) where: Base-Base interactions energy: -8.864 where: short stacking energy: -8.864 Base-Backbone interact. energy: -0.007 local terms energy: -23.486430 where: bonds (distance) C4'-P energy: -6.354 bonds (distance) P-C4' energy: -4.677 flat angles C4'-P-C4' energy: -5.099 flat angles P-C4'-P energy: -5.505 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: 8, replica: 9 ===================================== Write number: 401 Temperature: 1.250000 Total energy: -33.518036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.518036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.518036 (E_RNA) where: Base-Base interactions energy: -8.772 where: short stacking energy: -8.772 Base-Backbone interact. energy: -0.000 local terms energy: -24.745773 where: bonds (distance) C4'-P energy: -5.244 bonds (distance) P-C4' energy: -6.873 flat angles C4'-P-C4' energy: -6.693 flat angles P-C4'-P energy: -4.440 tors. eta vs tors. theta energy: -1.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 401 Temperature: 1.300000 Total energy: -35.019621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.019621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.019621 (E_RNA) where: Base-Base interactions energy: -17.315 where: short stacking energy: -17.315 Base-Backbone interact. energy: -0.002 local terms energy: -17.702372 where: bonds (distance) C4'-P energy: -4.392 bonds (distance) P-C4' energy: -5.445 flat angles C4'-P-C4' energy: -5.168 flat angles P-C4'-P energy: -0.070 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: 10, replica: 4 ===================================== Write number: 401 Temperature: 1.350000 Total energy: -30.218863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.218863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.218863 (E_RNA) where: Base-Base interactions energy: -9.330 where: short stacking energy: -9.330 Base-Backbone interact. energy: -0.053 local terms energy: -20.835779 where: bonds (distance) C4'-P energy: -5.277 bonds (distance) P-C4' energy: -5.935 flat angles C4'-P-C4' energy: -5.467 flat angles P-C4'-P energy: -4.356 tors. eta vs tors. theta energy: 0.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 402 Temperature: 0.900000 Total energy: -42.889959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.889959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.889959 (E_RNA) where: Base-Base interactions energy: -17.527 where: short stacking energy: -17.527 Base-Backbone interact. energy: -0.029 local terms energy: -25.333891 where: bonds (distance) C4'-P energy: -5.953 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -5.213 flat angles P-C4'-P energy: -3.838 tors. eta vs tors. theta energy: -4.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 402 Temperature: 0.950000 Total energy: -39.746718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.746718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.746718 (E_RNA) where: Base-Base interactions energy: -14.767 where: short stacking energy: -14.767 Base-Backbone interact. energy: -0.000 local terms energy: -24.979900 where: bonds (distance) C4'-P energy: -5.393 bonds (distance) P-C4' energy: -6.118 flat angles C4'-P-C4' energy: -5.856 flat angles P-C4'-P energy: -0.486 tors. eta vs tors. theta energy: -7.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 402 Temperature: 1.000000 Total energy: -38.581161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.581161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.581161 (E_RNA) where: Base-Base interactions energy: -15.242 where: short stacking energy: -15.242 Base-Backbone interact. energy: -0.015 local terms energy: -23.324218 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -5.271 flat angles P-C4'-P energy: -3.362 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: 5 ===================================== Write number: 402 Temperature: 1.050000 Total energy: -35.195583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.195583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.195583 (E_RNA) where: Base-Base interactions energy: -13.241 where: short stacking energy: -13.241 Base-Backbone interact. energy: -0.002 local terms energy: -21.952143 where: bonds (distance) C4'-P energy: -5.277 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -5.535 flat angles P-C4'-P energy: -3.026 tors. eta vs tors. theta energy: -1.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 402 Temperature: 1.100000 Total energy: -34.215428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.215428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.215428 (E_RNA) where: Base-Base interactions energy: -11.591 where: short stacking energy: -11.591 Base-Backbone interact. energy: -0.000 local terms energy: -22.624406 where: bonds (distance) C4'-P energy: -4.438 bonds (distance) P-C4' energy: -5.509 flat angles C4'-P-C4' energy: -5.277 flat angles P-C4'-P energy: -3.612 tors. eta vs tors. theta energy: -3.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 402 Temperature: 1.150000 Total energy: -31.080206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.080206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.080206 (E_RNA) where: Base-Base interactions energy: -13.086 where: short stacking energy: -13.086 Base-Backbone interact. energy: -0.000 local terms energy: -17.994594 where: bonds (distance) C4'-P energy: -4.975 bonds (distance) P-C4' energy: -4.523 flat angles C4'-P-C4' energy: -2.273 flat angles P-C4'-P energy: -4.398 tors. eta vs tors. theta energy: -1.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 402 Temperature: 1.200000 Total energy: -33.513947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.513947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.513947 (E_RNA) where: Base-Base interactions energy: -6.687 where: short stacking energy: -6.687 Base-Backbone interact. energy: -0.000 local terms energy: -26.826414 where: bonds (distance) C4'-P energy: -5.117 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -4.820 flat angles P-C4'-P energy: -5.183 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: 8, replica: 8 ===================================== Write number: 402 Temperature: 1.250000 Total energy: -32.203034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.203034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.203034 (E_RNA) where: Base-Base interactions energy: -9.316 where: short stacking energy: -9.316 Base-Backbone interact. energy: -0.097 local terms energy: -22.790085 where: bonds (distance) C4'-P energy: -4.781 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -4.631 flat angles P-C4'-P energy: -3.548 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: 9, replica: 4 ===================================== Write number: 402 Temperature: 1.300000 Total energy: -30.645051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.645051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.645051 (E_RNA) where: Base-Base interactions energy: -10.246 where: short stacking energy: -10.246 Base-Backbone interact. energy: 0.134 local terms energy: -20.532770 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -2.963 flat angles P-C4'-P energy: -3.956 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: 10, replica: 7 ===================================== Write number: 402 Temperature: 1.350000 Total energy: -30.942523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.942523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.942523 (E_RNA) where: Base-Base interactions energy: -8.425 where: short stacking energy: -8.425 Base-Backbone interact. energy: -0.000 local terms energy: -22.517479 where: bonds (distance) C4'-P energy: -5.501 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -3.642 flat angles P-C4'-P energy: -2.436 tors. eta vs tors. theta energy: -3.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 403 Temperature: 0.900000 Total energy: -41.116482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.116482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.116482 (E_RNA) where: Base-Base interactions energy: -17.653 where: short stacking energy: -17.653 Base-Backbone interact. energy: -0.003 local terms energy: -23.460421 where: bonds (distance) C4'-P energy: -5.953 bonds (distance) P-C4' energy: -4.205 flat angles C4'-P-C4' energy: -5.436 flat angles P-C4'-P energy: -5.064 tors. eta vs tors. theta energy: -2.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 403 Temperature: 0.950000 Total energy: -38.712590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.712590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.712590 (E_RNA) where: Base-Base interactions energy: -15.938 where: short stacking energy: -15.938 Base-Backbone interact. energy: -0.010 local terms energy: -22.764917 where: bonds (distance) C4'-P energy: -5.729 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -4.073 flat angles P-C4'-P energy: -4.254 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: 3, replica: 1 ===================================== Write number: 403 Temperature: 1.000000 Total energy: -38.551709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.551709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.551709 (E_RNA) where: Base-Base interactions energy: -13.920 where: short stacking energy: -13.920 Base-Backbone interact. energy: -0.007 local terms energy: -24.624071 where: bonds (distance) C4'-P energy: -4.523 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -5.561 flat angles P-C4'-P energy: -4.043 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: 5 ===================================== Write number: 403 Temperature: 1.050000 Total energy: -31.179678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.179678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.179678 (E_RNA) where: Base-Base interactions energy: -9.342 where: short stacking energy: -9.342 Base-Backbone interact. energy: -0.013 local terms energy: -21.824976 where: bonds (distance) C4'-P energy: -5.650 bonds (distance) P-C4' energy: -5.563 flat angles C4'-P-C4' energy: -5.754 flat angles P-C4'-P energy: -3.380 tors. eta vs tors. theta energy: -1.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 403 Temperature: 1.100000 Total energy: -32.291527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.291527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.291527 (E_RNA) where: Base-Base interactions energy: -10.753 where: short stacking energy: -10.753 Base-Backbone interact. energy: -0.122 local terms energy: -21.416539 where: bonds (distance) C4'-P energy: -5.750 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -6.030 flat angles P-C4'-P energy: -3.489 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: 6, replica: 9 ===================================== Write number: 403 Temperature: 1.150000 Total energy: -35.280965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.280965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.280965 (E_RNA) where: Base-Base interactions energy: -13.136 where: short stacking energy: -13.136 Base-Backbone interact. energy: -0.105 local terms energy: -22.039367 where: bonds (distance) C4'-P energy: -6.006 bonds (distance) P-C4' energy: -5.276 flat angles C4'-P-C4' energy: -4.308 flat angles P-C4'-P energy: -5.045 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: 2 ===================================== Write number: 403 Temperature: 1.200000 Total energy: -30.049017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.049017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.049017 (E_RNA) where: Base-Base interactions energy: -13.129 where: short stacking energy: -13.129 Base-Backbone interact. energy: -0.002 local terms energy: -16.918232 where: bonds (distance) C4'-P energy: -4.756 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -4.121 flat angles P-C4'-P energy: -1.591 tors. eta vs tors. theta energy: 0.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 403 Temperature: 1.250000 Total energy: -29.845618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.845618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.845618 (E_RNA) where: Base-Base interactions energy: -9.755 where: short stacking energy: -9.755 Base-Backbone interact. energy: -0.001 local terms energy: -20.089112 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -4.653 flat angles C4'-P-C4' energy: -3.995 flat angles P-C4'-P energy: -3.451 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: 4 ===================================== Write number: 403 Temperature: 1.300000 Total energy: -30.573318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.573318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.573318 (E_RNA) where: Base-Base interactions energy: -10.021 where: short stacking energy: -10.021 Base-Backbone interact. energy: -0.017 local terms energy: -20.535275 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -3.352 flat angles C4'-P-C4' energy: -4.069 flat angles P-C4'-P energy: -3.941 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: 7 ===================================== Write number: 403 Temperature: 1.350000 Total energy: -32.059243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.059243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.059243 (E_RNA) where: Base-Base interactions energy: -10.132 where: short stacking energy: -10.132 Base-Backbone interact. energy: -0.901 local terms energy: -21.026663 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -5.074 flat angles P-C4'-P energy: -3.057 tors. eta vs tors. theta energy: -1.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 404 Temperature: 0.900000 Total energy: -35.592977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.592977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.592977 (E_RNA) where: Base-Base interactions energy: -12.931 where: short stacking energy: -13.090 Base-Backbone interact. energy: -0.085 local terms energy: -22.576601 where: bonds (distance) C4'-P energy: -4.985 bonds (distance) P-C4' energy: -6.628 flat angles C4'-P-C4' energy: -5.448 flat angles P-C4'-P energy: -3.824 tors. eta vs tors. theta energy: -1.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 404 Temperature: 0.950000 Total energy: -36.811579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.811579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.811579 (E_RNA) where: Base-Base interactions energy: -13.524 where: short stacking energy: -13.524 Base-Backbone interact. energy: -0.001 local terms energy: -23.286753 where: bonds (distance) C4'-P energy: -6.246 bonds (distance) P-C4' energy: -5.339 flat angles C4'-P-C4' energy: -4.702 flat angles P-C4'-P energy: -3.219 tors. eta vs tors. theta energy: -3.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 404 Temperature: 1.000000 Total energy: -37.595102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.595102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.595102 (E_RNA) where: Base-Base interactions energy: -12.483 where: short stacking energy: -12.483 Base-Backbone interact. energy: -0.006 local terms energy: -25.105737 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.603 flat angles P-C4'-P energy: -4.580 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: 4, replica: 1 ===================================== Write number: 404 Temperature: 1.050000 Total energy: -34.376093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.376093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.376093 (E_RNA) where: Base-Base interactions energy: -10.562 where: short stacking energy: -10.562 Base-Backbone interact. energy: -0.010 local terms energy: -23.804012 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -6.442 flat angles C4'-P-C4' energy: -5.848 flat angles P-C4'-P energy: -3.183 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: 5, replica: 9 ===================================== Write number: 404 Temperature: 1.100000 Total energy: -36.607098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.607098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.607098 (E_RNA) where: Base-Base interactions energy: -14.255 where: short stacking energy: -14.255 Base-Backbone interact. energy: -0.002 local terms energy: -22.349746 where: bonds (distance) C4'-P energy: -4.781 bonds (distance) P-C4' energy: -6.177 flat angles C4'-P-C4' energy: -5.894 flat angles P-C4'-P energy: -2.705 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: 6, replica: 10 ===================================== Write number: 404 Temperature: 1.150000 Total energy: -31.993080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.993080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.993080 (E_RNA) where: Base-Base interactions energy: -8.563 where: short stacking energy: -8.563 Base-Backbone interact. energy: -0.095 local terms energy: -23.334686 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -4.393 flat angles P-C4'-P energy: -3.747 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: 7, replica: 8 ===================================== Write number: 404 Temperature: 1.200000 Total energy: -32.341644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.341644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.341644 (E_RNA) where: Base-Base interactions energy: -9.325 where: short stacking energy: -9.325 Base-Backbone interact. energy: -0.023 local terms energy: -22.993778 where: bonds (distance) C4'-P energy: -5.998 bonds (distance) P-C4' energy: -5.705 flat angles C4'-P-C4' energy: -4.875 flat angles P-C4'-P energy: -4.538 tors. eta vs tors. theta energy: -1.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 404 Temperature: 1.250000 Total energy: -31.792894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.792894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.792894 (E_RNA) where: Base-Base interactions energy: -9.536 where: short stacking energy: -9.536 Base-Backbone interact. energy: -0.000 local terms energy: -22.257294 where: bonds (distance) C4'-P energy: -5.340 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -5.535 flat angles P-C4'-P energy: -1.720 tors. eta vs tors. theta energy: -2.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 404 Temperature: 1.300000 Total energy: -28.656935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.656935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.656935 (E_RNA) where: Base-Base interactions energy: -9.277 where: short stacking energy: -9.277 Base-Backbone interact. energy: -0.016 local terms energy: -19.364552 where: bonds (distance) C4'-P energy: -3.642 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -6.304 flat angles P-C4'-P energy: -2.328 tors. eta vs tors. theta energy: -0.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 404 Temperature: 1.350000 Total energy: -29.629083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.629083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.629083 (E_RNA) where: Base-Base interactions energy: -9.872 where: short stacking energy: -9.872 Base-Backbone interact. energy: -0.000 local terms energy: -19.756732 where: bonds (distance) C4'-P energy: -3.783 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -5.532 flat angles P-C4'-P energy: -2.773 tors. eta vs tors. theta energy: -2.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 405 Temperature: 0.900000 Total energy: -37.912155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.912155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.912155 (E_RNA) where: Base-Base interactions energy: -12.546 where: short stacking energy: -12.546 Base-Backbone interact. energy: -0.001 local terms energy: -25.365647 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -5.090 flat angles P-C4'-P energy: -4.311 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: 2, replica: 3 ===================================== Write number: 405 Temperature: 0.950000 Total energy: -38.580323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.580323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.580323 (E_RNA) where: Base-Base interactions energy: -14.073 where: short stacking energy: -14.073 Base-Backbone interact. energy: -0.001 local terms energy: -24.505870 where: bonds (distance) C4'-P energy: -5.021 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -6.416 flat angles P-C4'-P energy: -4.053 tors. eta vs tors. theta energy: -2.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 405 Temperature: 1.000000 Total energy: -33.567596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.567596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.567596 (E_RNA) where: Base-Base interactions energy: -9.663 where: short stacking energy: -9.663 Base-Backbone interact. energy: -0.000 local terms energy: -23.904164 where: bonds (distance) C4'-P energy: -5.882 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -6.608 flat angles P-C4'-P energy: -3.656 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: 4, replica: 1 ===================================== Write number: 405 Temperature: 1.050000 Total energy: -38.592890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.592890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.592890 (E_RNA) where: Base-Base interactions energy: -15.495 where: short stacking energy: -15.495 Base-Backbone interact. energy: -0.000 local terms energy: -23.098011 where: bonds (distance) C4'-P energy: -5.233 bonds (distance) P-C4' energy: -5.205 flat angles C4'-P-C4' energy: -4.371 flat angles P-C4'-P energy: -4.012 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: 5, replica: 9 ===================================== Write number: 405 Temperature: 1.100000 Total energy: -35.721890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.721890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.721890 (E_RNA) where: Base-Base interactions energy: -11.312 where: short stacking energy: -11.312 Base-Backbone interact. energy: -0.102 local terms energy: -24.308126 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -5.699 flat angles C4'-P-C4' energy: -4.786 flat angles P-C4'-P energy: -4.090 tors. eta vs tors. theta energy: -3.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 405 Temperature: 1.150000 Total energy: -36.121712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.121712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.121712 (E_RNA) where: Base-Base interactions energy: -12.628 where: short stacking energy: -12.628 Base-Backbone interact. energy: -0.001 local terms energy: -23.493287 where: bonds (distance) C4'-P energy: -5.285 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -5.502 flat angles P-C4'-P energy: -2.689 tors. eta vs tors. theta energy: -3.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 405 Temperature: 1.200000 Total energy: -33.727341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.727341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.727341 (E_RNA) where: Base-Base interactions energy: -9.756 where: short stacking energy: -9.756 Base-Backbone interact. energy: -0.000 local terms energy: -23.971482 where: bonds (distance) C4'-P energy: -3.493 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -5.501 flat angles P-C4'-P energy: -5.328 tors. eta vs tors. theta energy: -2.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 405 Temperature: 1.250000 Total energy: -32.242435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.242435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.242435 (E_RNA) where: Base-Base interactions energy: -9.899 where: short stacking energy: -9.899 Base-Backbone interact. energy: -0.003 local terms energy: -22.340438 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -5.181 flat angles C4'-P-C4' energy: -5.885 flat angles P-C4'-P energy: -5.058 tors. eta vs tors. theta energy: -0.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 405 Temperature: 1.300000 Total energy: -28.208820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.208820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.208820 (E_RNA) where: Base-Base interactions energy: -8.213 where: short stacking energy: -8.213 Base-Backbone interact. energy: -0.000 local terms energy: -19.995339 where: bonds (distance) C4'-P energy: -4.392 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -4.463 flat angles P-C4'-P energy: -3.264 tors. eta vs tors. theta energy: -1.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 405 Temperature: 1.350000 Total energy: -35.323819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.323819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.323819 (E_RNA) where: Base-Base interactions energy: -11.905 where: short stacking energy: -11.905 Base-Backbone interact. energy: -0.001 local terms energy: -23.418596 where: bonds (distance) C4'-P energy: -3.563 bonds (distance) P-C4' energy: -7.144 flat angles C4'-P-C4' energy: -4.912 flat angles P-C4'-P energy: -2.571 tors. eta vs tors. theta energy: -5.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 406 Temperature: 0.900000 Total energy: -45.537639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.537639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.537639 (E_RNA) where: Base-Base interactions energy: -17.707 where: short stacking energy: -17.707 Base-Backbone interact. energy: -0.000 local terms energy: -27.830796 where: bonds (distance) C4'-P energy: -5.075 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -4.470 flat angles P-C4'-P energy: -5.259 tors. eta vs tors. theta energy: -6.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 406 Temperature: 0.950000 Total energy: -39.898189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.898189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.898189 (E_RNA) where: Base-Base interactions energy: -15.400 where: short stacking energy: -15.400 Base-Backbone interact. energy: -0.001 local terms energy: -24.496400 where: bonds (distance) C4'-P energy: -5.401 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -3.883 flat angles P-C4'-P energy: -4.771 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: 1 ===================================== Write number: 406 Temperature: 1.000000 Total energy: -35.708667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.708667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.708667 (E_RNA) where: Base-Base interactions energy: -13.481 where: short stacking energy: -13.481 Base-Backbone interact. energy: -0.038 local terms energy: -22.190396 where: bonds (distance) C4'-P energy: -6.246 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -4.164 flat angles P-C4'-P energy: -3.980 tors. eta vs tors. theta energy: -1.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 406 Temperature: 1.050000 Total energy: -37.421314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.421314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.421314 (E_RNA) where: Base-Base interactions energy: -13.490 where: short stacking energy: -13.490 Base-Backbone interact. energy: -0.000 local terms energy: -23.930911 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -5.512 flat angles C4'-P-C4' energy: -4.927 flat angles P-C4'-P energy: -3.818 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: 5, replica: 10 ===================================== Write number: 406 Temperature: 1.100000 Total energy: -35.646347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.646347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.646347 (E_RNA) where: Base-Base interactions energy: -12.540 where: short stacking energy: -12.540 Base-Backbone interact. energy: -0.111 local terms energy: -22.995789 where: bonds (distance) C4'-P energy: -5.269 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -5.481 flat angles P-C4'-P energy: -4.062 tors. eta vs tors. theta energy: -1.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 406 Temperature: 1.150000 Total energy: -33.877187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.877187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.877187 (E_RNA) where: Base-Base interactions energy: -14.181 where: short stacking energy: -14.181 Base-Backbone interact. energy: -0.098 local terms energy: -19.598249 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -2.150 flat angles C4'-P-C4' energy: -3.954 flat angles P-C4'-P energy: -3.412 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: 7, replica: 2 ===================================== Write number: 406 Temperature: 1.200000 Total energy: -35.098177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.098177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.098177 (E_RNA) where: Base-Base interactions energy: -12.491 where: short stacking energy: -12.491 Base-Backbone interact. energy: -0.048 local terms energy: -22.559337 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -5.000 flat angles P-C4'-P energy: -2.749 tors. eta vs tors. theta energy: -2.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 406 Temperature: 1.250000 Total energy: -29.871934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.871934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.871934 (E_RNA) where: Base-Base interactions energy: -7.781 where: short stacking energy: -7.781 Base-Backbone interact. energy: -0.062 local terms energy: -22.028296 where: bonds (distance) C4'-P energy: -6.006 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.784 flat angles P-C4'-P energy: -3.163 tors. eta vs tors. theta energy: -0.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 406 Temperature: 1.300000 Total energy: -29.654729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.654729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.654729 (E_RNA) where: Base-Base interactions energy: -9.946 where: short stacking energy: -9.946 Base-Backbone interact. energy: -0.170 local terms energy: -19.538052 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -5.889 flat angles C4'-P-C4' energy: -2.382 flat angles P-C4'-P energy: -3.643 tors. eta vs tors. theta energy: -1.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 406 Temperature: 1.350000 Total energy: -30.566726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.566726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.566726 (E_RNA) where: Base-Base interactions energy: -13.136 where: short stacking energy: -13.136 Base-Backbone interact. energy: -0.001 local terms energy: -17.430160 where: bonds (distance) C4'-P energy: -4.408 bonds (distance) P-C4' energy: -5.150 flat angles C4'-P-C4' energy: -3.610 flat angles P-C4'-P energy: -3.322 tors. eta vs tors. theta energy: -0.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 407 Temperature: 0.900000 Total energy: -35.332212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.332212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.332212 (E_RNA) where: Base-Base interactions energy: -12.606 where: short stacking energy: -12.606 Base-Backbone interact. energy: -0.090 local terms energy: -22.636194 where: bonds (distance) C4'-P energy: -4.454 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.959 flat angles P-C4'-P energy: -3.950 tors. eta vs tors. theta energy: -2.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 407 Temperature: 0.950000 Total energy: -38.988062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.988062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.988062 (E_RNA) where: Base-Base interactions energy: -15.284 where: short stacking energy: -15.284 Base-Backbone interact. energy: -0.061 local terms energy: -23.643633 where: bonds (distance) C4'-P energy: -5.721 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -6.045 flat angles P-C4'-P energy: -4.113 tors. eta vs tors. theta energy: -1.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 407 Temperature: 1.000000 Total energy: -36.765846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.765846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.765846 (E_RNA) where: Base-Base interactions energy: -10.153 where: short stacking energy: -10.153 Base-Backbone interact. energy: -0.000 local terms energy: -26.612982 where: bonds (distance) C4'-P energy: -4.872 bonds (distance) P-C4' energy: -5.734 flat angles C4'-P-C4' energy: -5.340 flat angles P-C4'-P energy: -5.408 tors. eta vs tors. theta energy: -5.260 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: 10 ===================================== Write number: 407 Temperature: 1.050000 Total energy: -38.473402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.473402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.473402 (E_RNA) where: Base-Base interactions energy: -12.427 where: short stacking energy: -12.427 Base-Backbone interact. energy: -0.006 local terms energy: -26.039978 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.417 flat angles C4'-P-C4' energy: -6.160 flat angles P-C4'-P energy: -3.225 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: 5, replica: 5 ===================================== Write number: 407 Temperature: 1.100000 Total energy: -38.429493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.429493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.429493 (E_RNA) where: Base-Base interactions energy: -12.704 where: short stacking energy: -12.704 Base-Backbone interact. energy: -0.000 local terms energy: -25.725216 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -6.013 flat angles P-C4'-P energy: -1.932 tors. eta vs tors. theta energy: -5.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 407 Temperature: 1.150000 Total energy: -34.639399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.639399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.639399 (E_RNA) where: Base-Base interactions energy: -14.668 where: short stacking energy: -14.668 Base-Backbone interact. energy: -0.023 local terms energy: -19.948461 where: bonds (distance) C4'-P energy: -4.578 bonds (distance) P-C4' energy: -6.181 flat angles C4'-P-C4' energy: -5.323 flat angles P-C4'-P energy: -2.660 tors. eta vs tors. theta energy: -1.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 407 Temperature: 1.200000 Total energy: -31.889367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.889367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.889367 (E_RNA) where: Base-Base interactions energy: -9.450 where: short stacking energy: -9.450 Base-Backbone interact. energy: -0.000 local terms energy: -22.439280 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -5.833 flat angles C4'-P-C4' energy: -5.527 flat angles P-C4'-P energy: -2.652 tors. eta vs tors. theta energy: -3.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 407 Temperature: 1.250000 Total energy: -31.808275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.808275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.808275 (E_RNA) where: Base-Base interactions energy: -14.061 where: short stacking energy: -14.061 Base-Backbone interact. energy: -0.018 local terms energy: -17.729147 where: bonds (distance) C4'-P energy: -4.747 bonds (distance) P-C4' energy: -4.793 flat angles C4'-P-C4' energy: -4.206 flat angles P-C4'-P energy: -2.612 tors. eta vs tors. theta energy: -1.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 407 Temperature: 1.300000 Total energy: -29.565462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.565462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.565462 (E_RNA) where: Base-Base interactions energy: -9.343 where: short stacking energy: -9.343 Base-Backbone interact. energy: -0.009 local terms energy: -20.213657 where: bonds (distance) C4'-P energy: -5.721 bonds (distance) P-C4' energy: -4.681 flat angles C4'-P-C4' energy: -3.449 flat angles P-C4'-P energy: -5.326 tors. eta vs tors. theta energy: -1.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 407 Temperature: 1.350000 Total energy: -33.931327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.931327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.931327 (E_RNA) where: Base-Base interactions energy: -12.666 where: short stacking energy: -12.666 Base-Backbone interact. energy: -0.038 local terms energy: -21.226637 where: bonds (distance) C4'-P energy: -4.673 bonds (distance) P-C4' energy: -2.616 flat angles C4'-P-C4' energy: -5.605 flat angles P-C4'-P energy: -3.652 tors. eta vs tors. theta energy: -4.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 408 Temperature: 0.900000 Total energy: -38.594105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.594105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.594105 (E_RNA) where: Base-Base interactions energy: -14.851 where: short stacking energy: -14.851 Base-Backbone interact. energy: -0.000 local terms energy: -23.743084 where: bonds (distance) C4'-P energy: -4.967 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -3.647 flat angles P-C4'-P energy: -4.439 tors. eta vs tors. theta energy: -4.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 408 Temperature: 0.950000 Total energy: -41.186004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.186004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.186004 (E_RNA) where: Base-Base interactions energy: -17.152 where: short stacking energy: -17.152 Base-Backbone interact. energy: -0.034 local terms energy: -23.999766 where: bonds (distance) C4'-P energy: -6.246 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -3.154 flat angles P-C4'-P energy: -5.219 tors. eta vs tors. theta energy: -2.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 408 Temperature: 1.000000 Total energy: -35.163667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.163667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.163667 (E_RNA) where: Base-Base interactions energy: -11.164 where: short stacking energy: -11.164 Base-Backbone interact. energy: -0.000 local terms energy: -23.999485 where: bonds (distance) C4'-P energy: -4.231 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -5.886 flat angles P-C4'-P energy: -3.964 tors. eta vs tors. theta energy: -3.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 408 Temperature: 1.050000 Total energy: -33.383438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.383438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.383438 (E_RNA) where: Base-Base interactions energy: -12.412 where: short stacking energy: -12.412 Base-Backbone interact. energy: -0.014 local terms energy: -20.957476 where: bonds (distance) C4'-P energy: -5.013 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -4.842 flat angles P-C4'-P energy: -3.257 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: 2 ===================================== Write number: 408 Temperature: 1.100000 Total energy: -26.894681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.894681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.894681 (E_RNA) where: Base-Base interactions energy: -3.098 where: short stacking energy: -3.438 Base-Backbone interact. energy: -0.168 local terms energy: -23.628900 where: bonds (distance) C4'-P energy: -5.837 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.518 flat angles P-C4'-P energy: -4.445 tors. eta vs tors. theta energy: -1.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 408 Temperature: 1.150000 Total energy: -34.876228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.876228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.876228 (E_RNA) where: Base-Base interactions energy: -12.702 where: short stacking energy: -12.654 Base-Backbone interact. energy: -0.000 local terms energy: -22.174505 where: bonds (distance) C4'-P energy: -4.578 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -2.432 flat angles P-C4'-P energy: -3.422 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: 7, replica: 4 ===================================== Write number: 408 Temperature: 1.200000 Total energy: -29.334426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.334426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.334426 (E_RNA) where: Base-Base interactions energy: -7.370 where: short stacking energy: -7.370 Base-Backbone interact. energy: -0.138 local terms energy: -21.826779 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -5.662 flat angles P-C4'-P energy: -2.461 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: 8, replica: 9 ===================================== Write number: 408 Temperature: 1.250000 Total energy: -30.271091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.271091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.271091 (E_RNA) where: Base-Base interactions energy: -8.818 where: short stacking energy: -8.818 Base-Backbone interact. energy: -0.088 local terms energy: -21.365487 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -5.262 flat angles P-C4'-P energy: -4.097 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: 7 ===================================== Write number: 408 Temperature: 1.300000 Total energy: -35.953650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.953650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.953650 (E_RNA) where: Base-Base interactions energy: -13.501 where: short stacking energy: -13.501 Base-Backbone interact. energy: -0.000 local terms energy: -22.452633 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -5.696 flat angles P-C4'-P energy: -3.873 tors. eta vs tors. theta energy: -2.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 408 Temperature: 1.350000 Total energy: -27.397253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.397253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.397253 (E_RNA) where: Base-Base interactions energy: -9.620 where: short stacking energy: -9.620 Base-Backbone interact. energy: -0.029 local terms energy: -17.747923 where: bonds (distance) C4'-P energy: -5.866 bonds (distance) P-C4' energy: -4.064 flat angles C4'-P-C4' energy: -6.225 flat angles P-C4'-P energy: -2.961 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: 1, replica: 1 ===================================== Write number: 409 Temperature: 0.900000 Total energy: -41.689700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.689700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.689700 (E_RNA) where: Base-Base interactions energy: -16.807 where: short stacking energy: -16.807 Base-Backbone interact. energy: -0.006 local terms energy: -24.876164 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -5.833 flat angles C4'-P-C4' energy: -5.868 flat angles P-C4'-P energy: -5.659 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: 2, replica: 10 ===================================== Write number: 409 Temperature: 0.950000 Total energy: -35.313478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.313478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.313478 (E_RNA) where: Base-Base interactions energy: -13.858 where: short stacking energy: -13.858 Base-Backbone interact. energy: -0.101 local terms energy: -21.354041 where: bonds (distance) C4'-P energy: -4.939 bonds (distance) P-C4' energy: -5.086 flat angles C4'-P-C4' energy: -4.431 flat angles P-C4'-P energy: -3.734 tors. eta vs tors. theta energy: -3.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 409 Temperature: 1.000000 Total energy: -32.847056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.847056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.847056 (E_RNA) where: Base-Base interactions energy: -14.196 where: short stacking energy: -14.196 Base-Backbone interact. energy: -0.015 local terms energy: -18.636417 where: bonds (distance) C4'-P energy: -3.734 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -4.378 flat angles P-C4'-P energy: -4.107 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: 6 ===================================== Write number: 409 Temperature: 1.050000 Total energy: -37.981038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.981038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.981038 (E_RNA) where: Base-Base interactions energy: -13.143 where: short stacking energy: -13.143 Base-Backbone interact. energy: -0.000 local terms energy: -24.837990 where: bonds (distance) C4'-P energy: -3.200 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.586 flat angles P-C4'-P energy: -4.983 tors. eta vs tors. theta energy: -4.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 409 Temperature: 1.100000 Total energy: -32.003604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.003604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.003604 (E_RNA) where: Base-Base interactions energy: -9.947 where: short stacking energy: -9.947 Base-Backbone interact. energy: -0.028 local terms energy: -22.028523 where: bonds (distance) C4'-P energy: -6.569 bonds (distance) P-C4' energy: -3.926 flat angles C4'-P-C4' energy: -4.893 flat angles P-C4'-P energy: -3.468 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: 409 Temperature: 1.150000 Total energy: -31.751556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.751556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.751556 (E_RNA) where: Base-Base interactions energy: -8.757 where: short stacking energy: -8.757 Base-Backbone interact. energy: -0.037 local terms energy: -22.958012 where: bonds (distance) C4'-P energy: -3.762 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -5.250 flat angles P-C4'-P energy: -5.421 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: 7, replica: 5 ===================================== Write number: 409 Temperature: 1.200000 Total energy: -26.440110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.440110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.440110 (E_RNA) where: Base-Base interactions energy: -10.243 where: short stacking energy: -10.243 Base-Backbone interact. energy: -0.233 local terms energy: -15.964039 where: bonds (distance) C4'-P energy: -5.484 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -4.584 flat angles P-C4'-P energy: -0.467 tors. eta vs tors. theta energy: 1.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 409 Temperature: 1.250000 Total energy: -33.124088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.124088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.124088 (E_RNA) where: Base-Base interactions energy: -11.843 where: short stacking energy: -11.843 Base-Backbone interact. energy: -0.084 local terms energy: -21.196708 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -6.438 flat angles C4'-P-C4' energy: -5.081 flat angles P-C4'-P energy: -1.844 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: 9, replica: 7 ===================================== Write number: 409 Temperature: 1.300000 Total energy: -36.983236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.983236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.983236 (E_RNA) where: Base-Base interactions energy: -13.437 where: short stacking energy: -13.437 Base-Backbone interact. energy: -0.001 local terms energy: -23.544470 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -6.886 flat angles C4'-P-C4' energy: -4.958 flat angles P-C4'-P energy: -4.957 tors. eta vs tors. theta energy: -1.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 409 Temperature: 1.350000 Total energy: -29.099536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.099536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.099536 (E_RNA) where: Base-Base interactions energy: -7.991 where: short stacking energy: -8.091 Base-Backbone interact. energy: -0.013 local terms energy: -21.095993 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -6.447 flat angles C4'-P-C4' energy: -5.236 flat angles P-C4'-P energy: -3.221 tors. eta vs tors. theta energy: -0.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 410 Temperature: 0.900000 Total energy: -40.165506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.165506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.165506 (E_RNA) where: Base-Base interactions energy: -14.115 where: short stacking energy: -14.115 Base-Backbone interact. energy: -0.000 local terms energy: -26.050601 where: bonds (distance) C4'-P energy: -4.996 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -5.230 flat angles P-C4'-P energy: -4.553 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: 1 ===================================== Write number: 410 Temperature: 0.950000 Total energy: -36.575365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.575365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.575365 (E_RNA) where: Base-Base interactions energy: -13.173 where: short stacking energy: -13.173 Base-Backbone interact. energy: -0.002 local terms energy: -23.400601 where: bonds (distance) C4'-P energy: -6.462 bonds (distance) P-C4' energy: -6.615 flat angles C4'-P-C4' energy: -6.350 flat angles P-C4'-P energy: -2.925 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: 3, replica: 6 ===================================== Write number: 410 Temperature: 1.000000 Total energy: -33.792696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.792696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.792696 (E_RNA) where: Base-Base interactions energy: -12.507 where: short stacking energy: -12.507 Base-Backbone interact. energy: -0.113 local terms energy: -21.172656 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -5.298 flat angles C4'-P-C4' energy: -5.933 flat angles P-C4'-P energy: -4.622 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: 4, replica: 3 ===================================== Write number: 410 Temperature: 1.050000 Total energy: -39.261518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.261518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.261518 (E_RNA) where: Base-Base interactions energy: -14.680 where: short stacking energy: -14.680 Base-Backbone interact. energy: -0.012 local terms energy: -24.569785 where: bonds (distance) C4'-P energy: -5.055 bonds (distance) P-C4' energy: -4.684 flat angles C4'-P-C4' energy: -5.323 flat angles P-C4'-P energy: -5.252 tors. eta vs tors. theta energy: -4.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 410 Temperature: 1.100000 Total energy: -36.399769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.399769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.399769 (E_RNA) where: Base-Base interactions energy: -17.055 where: short stacking energy: -17.055 Base-Backbone interact. energy: -0.032 local terms energy: -19.312573 where: bonds (distance) C4'-P energy: -3.555 bonds (distance) P-C4' energy: -5.770 flat angles C4'-P-C4' energy: -5.973 flat angles P-C4'-P energy: -2.265 tors. eta vs tors. theta energy: -1.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 410 Temperature: 1.150000 Total energy: -34.534098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.534098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.534098 (E_RNA) where: Base-Base interactions energy: -10.499 where: short stacking energy: -10.499 Base-Backbone interact. energy: -0.017 local terms energy: -24.018661 where: bonds (distance) C4'-P energy: -3.165 bonds (distance) P-C4' energy: -5.541 flat angles C4'-P-C4' energy: -6.312 flat angles P-C4'-P energy: -4.847 tors. eta vs tors. theta energy: -4.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 410 Temperature: 1.200000 Total energy: -36.345671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.345671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.345671 (E_RNA) where: Base-Base interactions energy: -14.315 where: short stacking energy: -14.315 Base-Backbone interact. energy: -0.000 local terms energy: -22.030669 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -4.398 flat angles C4'-P-C4' energy: -4.743 flat angles P-C4'-P energy: -1.454 tors. eta vs tors. theta energy: -5.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 410 Temperature: 1.250000 Total energy: -29.178783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.178783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.178783 (E_RNA) where: Base-Base interactions energy: -8.586 where: short stacking energy: -8.586 Base-Backbone interact. energy: -0.133 local terms energy: -20.459741 where: bonds (distance) C4'-P energy: -5.721 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -4.918 flat angles P-C4'-P energy: -5.248 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: 9, replica: 8 ===================================== Write number: 410 Temperature: 1.300000 Total energy: -33.574906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.574906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.574906 (E_RNA) where: Base-Base interactions energy: -11.597 where: short stacking energy: -11.597 Base-Backbone interact. energy: -0.060 local terms energy: -21.918034 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -5.966 flat angles C4'-P-C4' energy: -6.147 flat angles P-C4'-P energy: -4.291 tors. eta vs tors. theta energy: 0.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 410 Temperature: 1.350000 Total energy: -29.381163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.381163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.381163 (E_RNA) where: Base-Base interactions energy: -6.037 where: short stacking energy: -6.037 Base-Backbone interact. energy: -0.150 local terms energy: -23.194677 where: bonds (distance) C4'-P energy: -4.806 bonds (distance) P-C4' energy: -5.445 flat angles C4'-P-C4' energy: -5.319 flat angles P-C4'-P energy: -5.055 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: 1, replica: 10 ===================================== Write number: 411 Temperature: 0.900000 Total energy: -39.671980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.671980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.671980 (E_RNA) where: Base-Base interactions energy: -11.877 where: short stacking energy: -11.877 Base-Backbone interact. energy: -0.000 local terms energy: -27.795170 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -5.057 flat angles P-C4'-P energy: -4.737 tors. eta vs tors. theta energy: -5.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 411 Temperature: 0.950000 Total energy: -38.266285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.266285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.266285 (E_RNA) where: Base-Base interactions energy: -15.134 where: short stacking energy: -15.134 Base-Backbone interact. energy: -0.024 local terms energy: -23.108274 where: bonds (distance) C4'-P energy: -5.394 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -6.026 flat angles P-C4'-P energy: -3.809 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: 3, replica: 1 ===================================== Write number: 411 Temperature: 1.000000 Total energy: -45.167469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.167469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.167469 (E_RNA) where: Base-Base interactions energy: -17.388 where: short stacking energy: -17.388 Base-Backbone interact. energy: -0.000 local terms energy: -27.779575 where: bonds (distance) C4'-P energy: -6.105 bonds (distance) P-C4' energy: -5.086 flat angles C4'-P-C4' energy: -5.177 flat angles P-C4'-P energy: -5.551 tors. eta vs tors. theta energy: -5.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 411 Temperature: 1.050000 Total energy: -41.752807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.752807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.752807 (E_RNA) where: Base-Base interactions energy: -15.971 where: short stacking energy: -15.971 Base-Backbone interact. energy: -0.000 local terms energy: -25.781797 where: bonds (distance) C4'-P energy: -4.462 bonds (distance) P-C4' energy: -6.873 flat angles C4'-P-C4' energy: -6.278 flat angles P-C4'-P energy: -3.294 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: 3 ===================================== Write number: 411 Temperature: 1.100000 Total energy: -35.158014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.158014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.158014 (E_RNA) where: Base-Base interactions energy: -8.904 where: short stacking energy: -8.904 Base-Backbone interact. energy: -0.081 local terms energy: -26.173084 where: bonds (distance) C4'-P energy: -5.990 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -5.591 flat angles P-C4'-P energy: -3.959 tors. eta vs tors. theta energy: -3.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 411 Temperature: 1.150000 Total energy: -33.066185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.066185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.066185 (E_RNA) where: Base-Base interactions energy: -12.624 where: short stacking energy: -12.624 Base-Backbone interact. energy: -0.000 local terms energy: -20.441826 where: bonds (distance) C4'-P energy: -5.580 bonds (distance) P-C4' energy: -5.569 flat angles C4'-P-C4' energy: -6.012 flat angles P-C4'-P energy: -0.494 tors. eta vs tors. theta energy: -2.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 411 Temperature: 1.200000 Total energy: -33.836218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.836218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.836218 (E_RNA) where: Base-Base interactions energy: -13.662 where: short stacking energy: -13.662 Base-Backbone interact. energy: -0.005 local terms energy: -20.169614 where: bonds (distance) C4'-P energy: -4.516 bonds (distance) P-C4' energy: -5.153 flat angles C4'-P-C4' energy: -5.046 flat angles P-C4'-P energy: -4.563 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: 8, replica: 8 ===================================== Write number: 411 Temperature: 1.250000 Total energy: -28.159401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.159401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.159401 (E_RNA) where: Base-Base interactions energy: -8.636 where: short stacking energy: -8.636 Base-Backbone interact. energy: -0.007 local terms energy: -19.516511 where: bonds (distance) C4'-P energy: -4.727 bonds (distance) P-C4' energy: -6.153 flat angles C4'-P-C4' energy: -5.758 flat angles P-C4'-P energy: -3.229 tors. eta vs tors. theta energy: 0.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 411 Temperature: 1.300000 Total energy: -28.835606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.835606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.835606 (E_RNA) where: Base-Base interactions energy: -9.423 where: short stacking energy: -9.423 Base-Backbone interact. energy: -0.019 local terms energy: -19.393244 where: bonds (distance) C4'-P energy: -5.750 bonds (distance) P-C4' energy: -5.677 flat angles C4'-P-C4' energy: -5.304 flat angles P-C4'-P energy: -4.085 tors. eta vs tors. theta energy: 1.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 411 Temperature: 1.350000 Total energy: -30.514420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.514420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.514420 (E_RNA) where: Base-Base interactions energy: -12.161 where: short stacking energy: -12.161 Base-Backbone interact. energy: -0.005 local terms energy: -18.348416 where: bonds (distance) C4'-P energy: -4.967 bonds (distance) P-C4' energy: -5.597 flat angles C4'-P-C4' energy: -4.408 flat angles P-C4'-P energy: -4.561 tors. eta vs tors. theta energy: 1.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 412 Temperature: 0.900000 Total energy: -45.393090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.393090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.393090 (E_RNA) where: Base-Base interactions energy: -16.609 where: short stacking energy: -16.609 Base-Backbone interact. energy: -0.000 local terms energy: -28.783851 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -6.151 flat angles P-C4'-P energy: -4.778 tors. eta vs tors. theta energy: -5.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 412 Temperature: 0.950000 Total energy: -37.189607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.189607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.189607 (E_RNA) where: Base-Base interactions energy: -15.121 where: short stacking energy: -15.121 Base-Backbone interact. energy: -0.001 local terms energy: -22.067055 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -5.535 flat angles P-C4'-P energy: -4.043 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: 3, replica: 4 ===================================== Write number: 412 Temperature: 1.000000 Total energy: -37.500526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.500526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.500526 (E_RNA) where: Base-Base interactions energy: -15.845 where: short stacking energy: -14.506 Base-Backbone interact. energy: -0.001 local terms energy: -21.655285 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -4.878 flat angles P-C4'-P energy: -3.569 tors. eta vs tors. theta energy: -1.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 412 Temperature: 1.050000 Total energy: -37.230431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.230431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.230431 (E_RNA) where: Base-Base interactions energy: -15.284 where: short stacking energy: -15.284 Base-Backbone interact. energy: 0.617 local terms energy: -22.563441 where: bonds (distance) C4'-P energy: -3.059 bonds (distance) P-C4' energy: -5.892 flat angles C4'-P-C4' energy: -3.691 flat angles P-C4'-P energy: -4.266 tors. eta vs tors. theta energy: -5.655 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: 9 ===================================== Write number: 412 Temperature: 1.100000 Total energy: -32.159274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.159274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.159274 (E_RNA) where: Base-Base interactions energy: -11.537 where: short stacking energy: -11.537 Base-Backbone interact. energy: -0.062 local terms energy: -20.560155 where: bonds (distance) C4'-P energy: -5.411 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.609 flat angles P-C4'-P energy: -1.664 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: 6, replica: 3 ===================================== Write number: 412 Temperature: 1.150000 Total energy: -34.252953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.252953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.252953 (E_RNA) where: Base-Base interactions energy: -12.553 where: short stacking energy: -13.348 Base-Backbone interact. energy: -0.064 local terms energy: -21.635445 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -4.230 flat angles C4'-P-C4' energy: -5.795 flat angles P-C4'-P energy: -3.447 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: 8 ===================================== Write number: 412 Temperature: 1.200000 Total energy: -31.788418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.788418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.788418 (E_RNA) where: Base-Base interactions energy: -14.222 where: short stacking energy: -14.222 Base-Backbone interact. energy: -0.000 local terms energy: -17.566693 where: bonds (distance) C4'-P energy: -3.285 bonds (distance) P-C4' energy: -4.631 flat angles C4'-P-C4' energy: -4.220 flat angles P-C4'-P energy: -2.341 tors. eta vs tors. theta energy: -3.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 412 Temperature: 1.250000 Total energy: -31.387508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.387508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.387508 (E_RNA) where: Base-Base interactions energy: -9.066 where: short stacking energy: -9.066 Base-Backbone interact. energy: -0.000 local terms energy: -22.321704 where: bonds (distance) C4'-P energy: -5.104 bonds (distance) P-C4' energy: -6.447 flat angles C4'-P-C4' energy: -5.031 flat angles P-C4'-P energy: -2.549 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: 9, replica: 5 ===================================== Write number: 412 Temperature: 1.300000 Total energy: -35.038924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.038924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.038924 (E_RNA) where: Base-Base interactions energy: -8.626 where: short stacking energy: -8.626 Base-Backbone interact. energy: -0.000 local terms energy: -26.412660 where: bonds (distance) C4'-P energy: -6.060 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -6.259 flat angles P-C4'-P energy: -4.042 tors. eta vs tors. theta energy: -3.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 412 Temperature: 1.350000 Total energy: -35.539800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.539800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.539800 (E_RNA) where: Base-Base interactions energy: -12.973 where: short stacking energy: -12.973 Base-Backbone interact. energy: -0.000 local terms energy: -22.566319 where: bonds (distance) C4'-P energy: -5.456 bonds (distance) P-C4' energy: -5.734 flat angles C4'-P-C4' energy: -5.080 flat angles P-C4'-P energy: -2.074 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: 1, replica: 6 ===================================== Write number: 413 Temperature: 0.900000 Total energy: -44.713822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.713822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.713822 (E_RNA) where: Base-Base interactions energy: -17.442 where: short stacking energy: -17.442 Base-Backbone interact. energy: -0.000 local terms energy: -27.271813 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -5.315 flat angles P-C4'-P energy: -5.056 tors. eta vs tors. theta energy: -3.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 413 Temperature: 0.950000 Total energy: -37.906629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.906629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.906629 (E_RNA) where: Base-Base interactions energy: -14.368 where: short stacking energy: -14.368 Base-Backbone interact. energy: -0.048 local terms energy: -23.490878 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -5.143 flat angles C4'-P-C4' energy: -5.046 flat angles P-C4'-P energy: -4.677 tors. eta vs tors. theta energy: -2.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 413 Temperature: 1.000000 Total energy: -34.304353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.304353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.304353 (E_RNA) where: Base-Base interactions energy: -12.721 where: short stacking energy: -12.721 Base-Backbone interact. energy: -0.000 local terms energy: -21.583564 where: bonds (distance) C4'-P energy: -5.419 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -5.427 flat angles P-C4'-P energy: -3.948 tors. eta vs tors. theta energy: -1.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 413 Temperature: 1.050000 Total energy: -34.250616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.250616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.250616 (E_RNA) where: Base-Base interactions energy: -7.745 where: short stacking energy: -7.745 Base-Backbone interact. energy: -0.000 local terms energy: -26.505307 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -6.147 flat angles P-C4'-P energy: -4.462 tors. eta vs tors. theta energy: -3.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 413 Temperature: 1.100000 Total energy: -35.072227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.072227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.072227 (E_RNA) where: Base-Base interactions energy: -12.836 where: short stacking energy: -12.836 Base-Backbone interact. energy: -0.000 local terms energy: -22.236455 where: bonds (distance) C4'-P energy: -5.837 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -4.929 flat angles P-C4'-P energy: -2.808 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: 6, replica: 8 ===================================== Write number: 413 Temperature: 1.150000 Total energy: -33.653266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.653266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.653266 (E_RNA) where: Base-Base interactions energy: -13.354 where: short stacking energy: -13.354 Base-Backbone interact. energy: -0.019 local terms energy: -20.280375 where: bonds (distance) C4'-P energy: -3.299 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -4.815 flat angles P-C4'-P energy: -4.827 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: 7, replica: 3 ===================================== Write number: 413 Temperature: 1.200000 Total energy: -32.271484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.271484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.271484 (E_RNA) where: Base-Base interactions energy: -9.195 where: short stacking energy: -8.551 Base-Backbone interact. energy: -0.636 local terms energy: -22.440432 where: bonds (distance) C4'-P energy: -5.191 bonds (distance) P-C4' energy: -6.094 flat angles C4'-P-C4' energy: -4.559 flat angles P-C4'-P energy: -2.562 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: 8, replica: 5 ===================================== Write number: 413 Temperature: 1.250000 Total energy: -31.748829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.748829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.748829 (E_RNA) where: Base-Base interactions energy: -8.752 where: short stacking energy: -8.752 Base-Backbone interact. energy: -0.079 local terms energy: -22.917128 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -5.730 flat angles C4'-P-C4' energy: -5.094 flat angles P-C4'-P energy: -3.553 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: 9, replica: 2 ===================================== Write number: 413 Temperature: 1.300000 Total energy: -29.715150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.715150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.715150 (E_RNA) where: Base-Base interactions energy: -11.051 where: short stacking energy: -11.051 Base-Backbone interact. energy: -0.001 local terms energy: -18.662781 where: bonds (distance) C4'-P energy: -4.052 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -5.389 flat angles P-C4'-P energy: -1.726 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: 10, replica: 7 ===================================== Write number: 413 Temperature: 1.350000 Total energy: -27.312463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.312463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.312463 (E_RNA) where: Base-Base interactions energy: -8.739 where: short stacking energy: -8.739 Base-Backbone interact. energy: -0.100 local terms energy: -18.473695 where: bonds (distance) C4'-P energy: -5.535 bonds (distance) P-C4' energy: -2.758 flat angles C4'-P-C4' energy: -5.087 flat angles P-C4'-P energy: -4.228 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: 1, replica: 6 ===================================== Write number: 414 Temperature: 0.900000 Total energy: -35.462715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.462715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.462715 (E_RNA) where: Base-Base interactions energy: -11.708 where: short stacking energy: -11.708 Base-Backbone interact. energy: -0.001 local terms energy: -23.754350 where: bonds (distance) C4'-P energy: -3.646 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -5.599 flat angles P-C4'-P energy: -3.833 tors. eta vs tors. theta energy: -3.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 414 Temperature: 0.950000 Total energy: -39.887976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.887976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.887976 (E_RNA) where: Base-Base interactions energy: -16.594 where: short stacking energy: -16.594 Base-Backbone interact. energy: -0.012 local terms energy: -23.282377 where: bonds (distance) C4'-P energy: -6.060 bonds (distance) P-C4' energy: -3.782 flat angles C4'-P-C4' energy: -5.780 flat angles P-C4'-P energy: -4.310 tors. eta vs tors. theta energy: -3.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 414 Temperature: 1.000000 Total energy: -39.700899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.700899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.700899 (E_RNA) where: Base-Base interactions energy: -12.811 where: short stacking energy: -12.811 Base-Backbone interact. energy: -0.002 local terms energy: -26.887547 where: bonds (distance) C4'-P energy: -6.577 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -5.646 flat angles P-C4'-P energy: -4.404 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: 10 ===================================== Write number: 414 Temperature: 1.050000 Total energy: -35.055119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.055119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.055119 (E_RNA) where: Base-Base interactions energy: -14.045 where: short stacking energy: -14.045 Base-Backbone interact. energy: -0.175 local terms energy: -20.835629 where: bonds (distance) C4'-P energy: -4.789 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -4.586 flat angles P-C4'-P energy: -3.103 tors. eta vs tors. theta energy: -1.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 414 Temperature: 1.100000 Total energy: -32.720868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.720868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.720868 (E_RNA) where: Base-Base interactions energy: -9.205 where: short stacking energy: -9.205 Base-Backbone interact. energy: -0.001 local terms energy: -23.515439 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -5.914 flat angles P-C4'-P energy: -4.039 tors. eta vs tors. theta energy: -0.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 414 Temperature: 1.150000 Total energy: -35.215150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.215150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.215150 (E_RNA) where: Base-Base interactions energy: -13.174 where: short stacking energy: -13.174 Base-Backbone interact. energy: -0.004 local terms energy: -22.036661 where: bonds (distance) C4'-P energy: -3.282 bonds (distance) P-C4' energy: -6.442 flat angles C4'-P-C4' energy: -5.555 flat angles P-C4'-P energy: -4.513 tors. eta vs tors. theta energy: -2.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 414 Temperature: 1.200000 Total energy: -30.317506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.317506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.317506 (E_RNA) where: Base-Base interactions energy: -7.977 where: short stacking energy: -7.977 Base-Backbone interact. energy: -0.154 local terms energy: -22.187447 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.132 flat angles P-C4'-P energy: -4.022 tors. eta vs tors. theta energy: -0.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 414 Temperature: 1.250000 Total energy: -29.968176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.968176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.968176 (E_RNA) where: Base-Base interactions energy: -6.789 where: short stacking energy: -6.789 Base-Backbone interact. energy: -0.002 local terms energy: -23.177132 where: bonds (distance) C4'-P energy: -5.650 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -6.159 flat angles P-C4'-P energy: -3.511 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: 7 ===================================== Write number: 414 Temperature: 1.300000 Total energy: -31.320871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.320871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.320871 (E_RNA) where: Base-Base interactions energy: -11.711 where: short stacking energy: -11.711 Base-Backbone interact. energy: -0.000 local terms energy: -19.609087 where: bonds (distance) C4'-P energy: -3.663 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -2.967 flat angles P-C4'-P energy: -2.895 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: 10, replica: 2 ===================================== Write number: 414 Temperature: 1.350000 Total energy: -27.548853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.548853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.548853 (E_RNA) where: Base-Base interactions energy: -6.596 where: short stacking energy: -6.596 Base-Backbone interact. energy: -0.001 local terms energy: -20.951579 where: bonds (distance) C4'-P energy: -4.798 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -5.101 flat angles P-C4'-P energy: -4.405 tors. eta vs tors. theta energy: -0.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 415 Temperature: 0.900000 Total energy: -39.231716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.231716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.231716 (E_RNA) where: Base-Base interactions energy: -13.617 where: short stacking energy: -13.617 Base-Backbone interact. energy: -0.086 local terms energy: -25.528541 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -6.129 flat angles C4'-P-C4' energy: -5.745 flat angles P-C4'-P energy: -4.276 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: 2, replica: 9 ===================================== Write number: 415 Temperature: 0.950000 Total energy: -37.565217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.565217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.565217 (E_RNA) where: Base-Base interactions energy: -13.559 where: short stacking energy: -13.559 Base-Backbone interact. energy: -0.035 local terms energy: -23.971320 where: bonds (distance) C4'-P energy: -6.006 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -5.833 flat angles P-C4'-P energy: -2.847 tors. eta vs tors. theta energy: -2.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 415 Temperature: 1.000000 Total energy: -36.552192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.552192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.552192 (E_RNA) where: Base-Base interactions energy: -14.809 where: short stacking energy: -14.809 Base-Backbone interact. energy: -0.001 local terms energy: -21.742071 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -6.125 flat angles C4'-P-C4' energy: -6.130 flat angles P-C4'-P energy: -4.467 tors. eta vs tors. theta energy: 0.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 415 Temperature: 1.050000 Total energy: -42.871523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.871523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.871523 (E_RNA) where: Base-Base interactions energy: -16.850 where: short stacking energy: -16.850 Base-Backbone interact. energy: -0.022 local terms energy: -25.999736 where: bonds (distance) C4'-P energy: -5.029 bonds (distance) P-C4' energy: -6.174 flat angles C4'-P-C4' energy: -5.052 flat angles P-C4'-P energy: -5.010 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: 10 ===================================== Write number: 415 Temperature: 1.100000 Total energy: -33.283366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.283366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.283366 (E_RNA) where: Base-Base interactions energy: -9.349 where: short stacking energy: -9.349 Base-Backbone interact. energy: -0.000 local terms energy: -23.934023 where: bonds (distance) C4'-P energy: -6.354 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -4.265 flat angles P-C4'-P energy: -3.399 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: 6, replica: 5 ===================================== Write number: 415 Temperature: 1.150000 Total energy: -31.380430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.380430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.380430 (E_RNA) where: Base-Base interactions energy: -7.233 where: short stacking energy: -7.233 Base-Backbone interact. energy: -0.019 local terms energy: -24.127632 where: bonds (distance) C4'-P energy: -5.750 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -6.603 flat angles P-C4'-P energy: -1.678 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: 7, replica: 1 ===================================== Write number: 415 Temperature: 1.200000 Total energy: -27.870219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.870219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.870219 (E_RNA) where: Base-Base interactions energy: -7.593 where: short stacking energy: -7.593 Base-Backbone interact. energy: -0.000 local terms energy: -20.277616 where: bonds (distance) C4'-P energy: -2.686 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -5.487 flat angles P-C4'-P energy: -3.587 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: 8, replica: 7 ===================================== Write number: 415 Temperature: 1.250000 Total energy: -33.086173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.086173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.086173 (E_RNA) where: Base-Base interactions energy: -9.362 where: short stacking energy: -9.362 Base-Backbone interact. energy: -0.028 local terms energy: -23.696190 where: bonds (distance) C4'-P energy: -5.982 bonds (distance) P-C4' energy: -6.447 flat angles C4'-P-C4' energy: -5.502 flat angles P-C4'-P energy: -3.678 tors. eta vs tors. theta energy: -2.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 415 Temperature: 1.300000 Total energy: -28.230935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.230935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.230935 (E_RNA) where: Base-Base interactions energy: -9.664 where: short stacking energy: -9.664 Base-Backbone interact. energy: 1.006 local terms energy: -19.572143 where: bonds (distance) C4'-P energy: -4.516 bonds (distance) P-C4' energy: -4.917 flat angles C4'-P-C4' energy: -4.779 flat angles P-C4'-P energy: -4.670 tors. eta vs tors. theta energy: -0.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 415 Temperature: 1.350000 Total energy: -32.091495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.091495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.091495 (E_RNA) where: Base-Base interactions energy: -11.912 where: short stacking energy: -11.912 Base-Backbone interact. energy: -0.004 local terms energy: -20.175666 where: bonds (distance) C4'-P energy: -5.128 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -4.404 flat angles P-C4'-P energy: -3.131 tors. eta vs tors. theta energy: -1.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 416 Temperature: 0.900000 Total energy: -39.777683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.777683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.777683 (E_RNA) where: Base-Base interactions energy: -14.229 where: short stacking energy: -14.229 Base-Backbone interact. energy: -0.054 local terms energy: -25.494849 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -5.032 flat angles P-C4'-P energy: -4.573 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: 2, replica: 6 ===================================== Write number: 416 Temperature: 0.950000 Total energy: -41.562909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.562909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.562909 (E_RNA) where: Base-Base interactions energy: -16.526 where: short stacking energy: -16.526 Base-Backbone interact. energy: -0.002 local terms energy: -25.034251 where: bonds (distance) C4'-P energy: -4.988 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -5.705 flat angles P-C4'-P energy: -3.301 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: 3, replica: 8 ===================================== Write number: 416 Temperature: 1.000000 Total energy: -33.311584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.311584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.311584 (E_RNA) where: Base-Base interactions energy: -13.173 where: short stacking energy: -13.173 Base-Backbone interact. energy: -0.009 local terms energy: -20.129536 where: bonds (distance) C4'-P energy: -2.633 bonds (distance) P-C4' energy: -6.432 flat angles C4'-P-C4' energy: -5.218 flat angles P-C4'-P energy: -4.557 tors. eta vs tors. theta energy: -1.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 416 Temperature: 1.050000 Total energy: -36.151589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.151589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.151589 (E_RNA) where: Base-Base interactions energy: -13.676 where: short stacking energy: -13.676 Base-Backbone interact. energy: -0.000 local terms energy: -22.475716 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.407 flat angles C4'-P-C4' energy: -5.794 flat angles P-C4'-P energy: -0.575 tors. eta vs tors. theta energy: -3.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 416 Temperature: 1.100000 Total energy: -38.761659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.761659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.761659 (E_RNA) where: Base-Base interactions energy: -16.027 where: short stacking energy: -16.027 Base-Backbone interact. energy: -0.000 local terms energy: -22.734384 where: bonds (distance) C4'-P energy: -4.160 bonds (distance) P-C4' energy: -5.763 flat angles C4'-P-C4' energy: -5.247 flat angles P-C4'-P energy: -3.058 tors. eta vs tors. theta energy: -4.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 416 Temperature: 1.150000 Total energy: -36.369516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.369516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.369516 (E_RNA) where: Base-Base interactions energy: -11.992 where: short stacking energy: -11.992 Base-Backbone interact. energy: -0.100 local terms energy: -24.277492 where: bonds (distance) C4'-P energy: -5.215 bonds (distance) P-C4' energy: -6.653 flat angles C4'-P-C4' energy: -4.602 flat angles P-C4'-P energy: -5.260 tors. eta vs tors. theta energy: -2.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 416 Temperature: 1.200000 Total energy: -28.009294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.009294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.009294 (E_RNA) where: Base-Base interactions energy: -7.457 where: short stacking energy: -7.457 Base-Backbone interact. energy: -0.014 local terms energy: -20.538374 where: bonds (distance) C4'-P energy: -4.221 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -6.195 flat angles P-C4'-P energy: -5.066 tors. eta vs tors. theta energy: 1.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 416 Temperature: 1.250000 Total energy: -30.478224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.478224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.478224 (E_RNA) where: Base-Base interactions energy: -9.866 where: short stacking energy: -9.866 Base-Backbone interact. energy: -0.000 local terms energy: -20.611839 where: bonds (distance) C4'-P energy: -4.931 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -4.051 flat angles P-C4'-P energy: -4.590 tors. eta vs tors. theta energy: -0.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 416 Temperature: 1.300000 Total energy: -31.933011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.933011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.933011 (E_RNA) where: Base-Base interactions energy: -12.245 where: short stacking energy: -12.245 Base-Backbone interact. energy: -0.000 local terms energy: -19.688391 where: bonds (distance) C4'-P energy: -4.975 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -3.669 flat angles P-C4'-P energy: -1.907 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: 10, replica: 2 ===================================== Write number: 416 Temperature: 1.350000 Total energy: -32.272583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.272583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.272583 (E_RNA) where: Base-Base interactions energy: -9.113 where: short stacking energy: -9.113 Base-Backbone interact. energy: -0.014 local terms energy: -23.145340 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -5.418 flat angles P-C4'-P energy: -3.243 tors. eta vs tors. theta energy: -1.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 417 Temperature: 0.900000 Total energy: -40.424033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.424033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.424033 (E_RNA) where: Base-Base interactions energy: -17.888 where: short stacking energy: -17.888 Base-Backbone interact. energy: -0.011 local terms energy: -22.525085 where: bonds (distance) C4'-P energy: -5.982 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -3.201 flat angles P-C4'-P energy: -3.862 tors. eta vs tors. theta energy: -2.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 417 Temperature: 0.950000 Total energy: -39.578012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.578012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.578012 (E_RNA) where: Base-Base interactions energy: -13.840 where: short stacking energy: -13.840 Base-Backbone interact. energy: -0.001 local terms energy: -25.736890 where: bonds (distance) C4'-P energy: -6.470 bonds (distance) P-C4' energy: -7.144 flat angles C4'-P-C4' energy: -2.358 flat angles P-C4'-P energy: -4.431 tors. eta vs tors. theta energy: -5.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 417 Temperature: 1.000000 Total energy: -35.172934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.172934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.172934 (E_RNA) where: Base-Base interactions energy: -11.498 where: short stacking energy: -11.498 Base-Backbone interact. energy: -0.004 local terms energy: -23.671588 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -6.159 flat angles C4'-P-C4' energy: -4.923 flat angles P-C4'-P energy: -3.866 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: 4, replica: 5 ===================================== Write number: 417 Temperature: 1.050000 Total energy: -37.959100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.959100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.959100 (E_RNA) where: Base-Base interactions energy: -13.474 where: short stacking energy: -13.474 Base-Backbone interact. energy: -0.001 local terms energy: -24.483874 where: bonds (distance) C4'-P energy: -5.091 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.676 flat angles P-C4'-P energy: -5.151 tors. eta vs tors. theta energy: -1.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 417 Temperature: 1.100000 Total energy: -36.524090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.524090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.524090 (E_RNA) where: Base-Base interactions energy: -11.332 where: short stacking energy: -11.332 Base-Backbone interact. energy: -0.000 local terms energy: -25.192057 where: bonds (distance) C4'-P energy: -5.866 bonds (distance) P-C4' energy: -5.594 flat angles C4'-P-C4' energy: -4.876 flat angles P-C4'-P energy: -4.034 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: 6, replica: 7 ===================================== Write number: 417 Temperature: 1.150000 Total energy: -33.357520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.357520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.357520 (E_RNA) where: Base-Base interactions energy: -13.628 where: short stacking energy: -13.628 Base-Backbone interact. energy: -0.031 local terms energy: -19.698493 where: bonds (distance) C4'-P energy: -4.027 bonds (distance) P-C4' energy: -5.534 flat angles C4'-P-C4' energy: -5.977 flat angles P-C4'-P energy: -3.652 tors. eta vs tors. theta energy: -0.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 417 Temperature: 1.200000 Total energy: -36.808608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.808608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.808608 (E_RNA) where: Base-Base interactions energy: -10.379 where: short stacking energy: -10.379 Base-Backbone interact. energy: -0.000 local terms energy: -26.429254 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -5.594 flat angles C4'-P-C4' energy: -6.568 flat angles P-C4'-P energy: -4.351 tors. eta vs tors. theta energy: -3.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 417 Temperature: 1.250000 Total energy: -29.235918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.235918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.235918 (E_RNA) where: Base-Base interactions energy: -8.488 where: short stacking energy: -8.488 Base-Backbone interact. energy: -0.002 local terms energy: -20.746614 where: bonds (distance) C4'-P energy: -4.735 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -3.723 flat angles P-C4'-P energy: -3.548 tors. eta vs tors. theta energy: -1.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 417 Temperature: 1.300000 Total energy: -29.816229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.816229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.816229 (E_RNA) where: Base-Base interactions energy: -8.991 where: short stacking energy: -8.991 Base-Backbone interact. energy: -0.000 local terms energy: -20.825352 where: bonds (distance) C4'-P energy: -1.956 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.442 flat angles P-C4'-P energy: -3.828 tors. eta vs tors. theta energy: -2.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 417 Temperature: 1.350000 Total energy: -30.726155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.726155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.726155 (E_RNA) where: Base-Base interactions energy: -8.711 where: short stacking energy: -8.711 Base-Backbone interact. energy: -0.001 local terms energy: -22.014666 where: bonds (distance) C4'-P energy: -2.533 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -5.289 flat angles P-C4'-P energy: -4.949 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: 1, replica: 8 ===================================== Write number: 418 Temperature: 0.900000 Total energy: -35.547360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.547360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.547360 (E_RNA) where: Base-Base interactions energy: -13.729 where: short stacking energy: -13.729 Base-Backbone interact. energy: -0.002 local terms energy: -21.816344 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -5.361 flat angles C4'-P-C4' energy: -5.126 flat angles P-C4'-P energy: -4.566 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: 2, replica: 9 ===================================== Write number: 418 Temperature: 0.950000 Total energy: -36.200129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.200129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.200129 (E_RNA) where: Base-Base interactions energy: -14.820 where: short stacking energy: -14.820 Base-Backbone interact. energy: -0.000 local terms energy: -21.380162 where: bonds (distance) C4'-P energy: -4.392 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -2.968 flat angles P-C4'-P energy: -3.236 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: 6 ===================================== Write number: 418 Temperature: 1.000000 Total energy: -43.266491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.266491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.266491 (E_RNA) where: Base-Base interactions energy: -17.213 where: short stacking energy: -17.213 Base-Backbone interact. energy: -0.000 local terms energy: -26.053788 where: bonds (distance) C4'-P energy: -5.171 bonds (distance) P-C4' energy: -5.916 flat angles C4'-P-C4' energy: -5.108 flat angles P-C4'-P energy: -3.854 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: 4, replica: 5 ===================================== Write number: 418 Temperature: 1.050000 Total energy: -36.583291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.583291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.583291 (E_RNA) where: Base-Base interactions energy: -14.665 where: short stacking energy: -14.665 Base-Backbone interact. energy: -0.036 local terms energy: -21.881406 where: bonds (distance) C4'-P energy: -4.453 bonds (distance) P-C4' energy: -5.653 flat angles C4'-P-C4' energy: -5.265 flat angles P-C4'-P energy: -5.108 tors. eta vs tors. theta energy: -1.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 418 Temperature: 1.100000 Total energy: -32.138651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.138651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.138651 (E_RNA) where: Base-Base interactions energy: -12.325 where: short stacking energy: -12.325 Base-Backbone interact. energy: -0.109 local terms energy: -19.704718 where: bonds (distance) C4'-P energy: -4.107 bonds (distance) P-C4' energy: -6.174 flat angles C4'-P-C4' energy: -4.989 flat angles P-C4'-P energy: -4.269 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: 6, replica: 4 ===================================== Write number: 418 Temperature: 1.150000 Total energy: -29.216787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.216787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.216787 (E_RNA) where: Base-Base interactions energy: -10.123 where: short stacking energy: -10.123 Base-Backbone interact. energy: -0.016 local terms energy: -19.077977 where: bonds (distance) C4'-P energy: -4.631 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -5.277 flat angles P-C4'-P energy: -3.187 tors. eta vs tors. theta energy: 0.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 418 Temperature: 1.200000 Total energy: -36.392261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.392261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.392261 (E_RNA) where: Base-Base interactions energy: -13.060 where: short stacking energy: -13.060 Base-Backbone interact. energy: -0.000 local terms energy: -23.332076 where: bonds (distance) C4'-P energy: -5.953 bonds (distance) P-C4' energy: -5.107 flat angles C4'-P-C4' energy: -4.779 flat angles P-C4'-P energy: -4.991 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: 8, replica: 10 ===================================== Write number: 418 Temperature: 1.250000 Total energy: -32.945325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.945325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.945325 (E_RNA) where: Base-Base interactions energy: -9.721 where: short stacking energy: -9.721 Base-Backbone interact. energy: -0.010 local terms energy: -23.214382 where: bonds (distance) C4'-P energy: -3.389 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.591 flat angles P-C4'-P energy: -4.372 tors. eta vs tors. theta energy: -2.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 418 Temperature: 1.300000 Total energy: -33.469205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.469205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.469205 (E_RNA) where: Base-Base interactions energy: -13.195 where: short stacking energy: -13.195 Base-Backbone interact. energy: -0.000 local terms energy: -20.273851 where: bonds (distance) C4'-P energy: -4.686 bonds (distance) P-C4' energy: -5.065 flat angles C4'-P-C4' energy: -5.148 flat angles P-C4'-P energy: -3.570 tors. eta vs tors. theta energy: -1.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 418 Temperature: 1.350000 Total energy: -29.617025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.617025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.617025 (E_RNA) where: Base-Base interactions energy: -8.481 where: short stacking energy: -8.481 Base-Backbone interact. energy: -0.001 local terms energy: -21.135086 where: bonds (distance) C4'-P energy: -3.443 bonds (distance) P-C4' energy: -6.156 flat angles C4'-P-C4' energy: -5.536 flat angles P-C4'-P energy: -4.956 tors. eta vs tors. theta energy: -1.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 419 Temperature: 0.900000 Total energy: -39.492282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.492282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.492282 (E_RNA) where: Base-Base interactions energy: -13.388 where: short stacking energy: -13.388 Base-Backbone interact. energy: -0.004 local terms energy: -26.100285 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -6.043 flat angles P-C4'-P energy: -3.969 tors. eta vs tors. theta energy: -2.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 419 Temperature: 0.950000 Total energy: -37.135626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.135626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.135626 (E_RNA) where: Base-Base interactions energy: -14.685 where: short stacking energy: -11.263 Base-Backbone interact. energy: -1.647 local terms energy: -20.804107 where: bonds (distance) C4'-P energy: -5.315 bonds (distance) P-C4' energy: -5.251 flat angles C4'-P-C4' energy: -5.412 flat angles P-C4'-P energy: -3.546 tors. eta vs tors. theta energy: -1.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 419 Temperature: 1.000000 Total energy: -37.870494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.870494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.870494 (E_RNA) where: Base-Base interactions energy: -13.463 where: short stacking energy: -13.463 Base-Backbone interact. energy: -0.000 local terms energy: -24.407129 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -3.298 flat angles P-C4'-P energy: -4.001 tors. eta vs tors. theta energy: -5.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 419 Temperature: 1.050000 Total energy: -37.111948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.111948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.111948 (E_RNA) where: Base-Base interactions energy: -12.879 where: short stacking energy: -12.879 Base-Backbone interact. energy: -0.017 local terms energy: -24.215862 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -5.795 flat angles P-C4'-P energy: -2.804 tors. eta vs tors. theta energy: -3.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 419 Temperature: 1.100000 Total energy: -41.065103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.065103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.065103 (E_RNA) where: Base-Base interactions energy: -16.575 where: short stacking energy: -16.575 Base-Backbone interact. energy: -0.003 local terms energy: -24.486226 where: bonds (distance) C4'-P energy: -4.913 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -5.337 flat angles P-C4'-P energy: -4.347 tors. eta vs tors. theta energy: -3.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 419 Temperature: 1.150000 Total energy: -33.422995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.422995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.422995 (E_RNA) where: Base-Base interactions energy: -13.274 where: short stacking energy: -11.629 Base-Backbone interact. energy: -0.035 local terms energy: -20.113733 where: bonds (distance) C4'-P energy: -2.765 bonds (distance) P-C4' energy: -6.447 flat angles C4'-P-C4' energy: -3.395 flat angles P-C4'-P energy: -5.126 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: 4 ===================================== Write number: 419 Temperature: 1.200000 Total energy: -34.336280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.336280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.336280 (E_RNA) where: Base-Base interactions energy: -10.197 where: short stacking energy: -10.197 Base-Backbone interact. energy: -0.000 local terms energy: -24.139437 where: bonds (distance) C4'-P energy: -4.206 bonds (distance) P-C4' energy: -5.830 flat angles C4'-P-C4' energy: -5.616 flat angles P-C4'-P energy: -3.783 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: 8, replica: 2 ===================================== Write number: 419 Temperature: 1.250000 Total energy: -30.413305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.413305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.413305 (E_RNA) where: Base-Base interactions energy: -8.673 where: short stacking energy: -8.673 Base-Backbone interact. energy: -0.040 local terms energy: -21.700477 where: bonds (distance) C4'-P energy: -4.810 bonds (distance) P-C4' energy: -5.597 flat angles C4'-P-C4' energy: -6.028 flat angles P-C4'-P energy: -2.203 tors. eta vs tors. theta energy: -3.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 419 Temperature: 1.300000 Total energy: -31.983402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.983402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.983402 (E_RNA) where: Base-Base interactions energy: -8.677 where: short stacking energy: -8.677 Base-Backbone interact. energy: -0.421 local terms energy: -22.885870 where: bonds (distance) C4'-P energy: -4.587 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.567 flat angles P-C4'-P energy: -4.422 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: 10, replica: 1 ===================================== Write number: 419 Temperature: 1.350000 Total energy: -28.836668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.836668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.836668 (E_RNA) where: Base-Base interactions energy: -7.054 where: short stacking energy: -7.054 Base-Backbone interact. energy: -0.001 local terms energy: -21.780928 where: bonds (distance) C4'-P energy: -4.815 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -5.200 flat angles P-C4'-P energy: -2.777 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: 1, replica: 6 ===================================== Write number: 420 Temperature: 0.900000 Total energy: -39.278232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.278232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.278232 (E_RNA) where: Base-Base interactions energy: -11.873 where: short stacking energy: -11.873 Base-Backbone interact. energy: -0.000 local terms energy: -27.405080 where: bonds (distance) C4'-P energy: -5.990 bonds (distance) P-C4' energy: -5.600 flat angles C4'-P-C4' energy: -6.799 flat angles P-C4'-P energy: -3.823 tors. eta vs tors. theta energy: -5.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 420 Temperature: 0.950000 Total energy: -38.843716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.843716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.843716 (E_RNA) where: Base-Base interactions energy: -12.470 where: short stacking energy: -12.470 Base-Backbone interact. energy: -0.000 local terms energy: -26.373331 where: bonds (distance) C4'-P energy: -5.348 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.762 flat angles P-C4'-P energy: -4.496 tors. eta vs tors. theta energy: -4.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 420 Temperature: 1.000000 Total energy: -41.234265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.234265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.234265 (E_RNA) where: Base-Base interactions energy: -17.291 where: short stacking energy: -17.291 Base-Backbone interact. energy: -0.000 local terms energy: -23.943303 where: bonds (distance) C4'-P energy: -5.427 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -6.113 flat angles P-C4'-P energy: -3.699 tors. eta vs tors. theta energy: -2.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 420 Temperature: 1.050000 Total energy: -38.055962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.055962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.055962 (E_RNA) where: Base-Base interactions energy: -15.146 where: short stacking energy: -15.146 Base-Backbone interact. energy: -0.002 local terms energy: -22.907690 where: bonds (distance) C4'-P energy: -4.789 bonds (distance) P-C4' energy: -6.438 flat angles C4'-P-C4' energy: -4.844 flat angles P-C4'-P energy: -4.323 tors. eta vs tors. theta energy: -2.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 420 Temperature: 1.100000 Total energy: -33.445413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.445413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.445413 (E_RNA) where: Base-Base interactions energy: -11.771 where: short stacking energy: -11.771 Base-Backbone interact. energy: -0.002 local terms energy: -21.672431 where: bonds (distance) C4'-P energy: -5.866 bonds (distance) P-C4' energy: -5.364 flat angles C4'-P-C4' energy: -5.039 flat angles P-C4'-P energy: -3.849 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: 6, replica: 7 ===================================== Write number: 420 Temperature: 1.150000 Total energy: -32.014692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.014692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.014692 (E_RNA) where: Base-Base interactions energy: -12.131 where: short stacking energy: -12.131 Base-Backbone interact. energy: -0.000 local terms energy: -19.883485 where: bonds (distance) C4'-P energy: -4.755 bonds (distance) P-C4' energy: -6.107 flat angles C4'-P-C4' energy: -3.139 flat angles P-C4'-P energy: -2.975 tors. eta vs tors. theta energy: -2.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 420 Temperature: 1.200000 Total energy: -30.699500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.699500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.699500 (E_RNA) where: Base-Base interactions energy: -9.558 where: short stacking energy: -9.558 Base-Backbone interact. energy: -0.032 local terms energy: -21.109693 where: bonds (distance) C4'-P energy: -5.287 bonds (distance) P-C4' energy: -6.447 flat angles C4'-P-C4' energy: -5.158 flat angles P-C4'-P energy: -4.021 tors. eta vs tors. theta energy: -0.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 420 Temperature: 1.250000 Total energy: -32.675636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.675636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.675636 (E_RNA) where: Base-Base interactions energy: -9.674 where: short stacking energy: -9.674 Base-Backbone interact. energy: 0.218 local terms energy: -23.219121 where: bonds (distance) C4'-P energy: -5.882 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -5.356 flat angles P-C4'-P energy: -4.066 tors. eta vs tors. theta energy: -1.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 420 Temperature: 1.300000 Total energy: -33.396196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.396196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.396196 (E_RNA) where: Base-Base interactions energy: -8.339 where: short stacking energy: -8.339 Base-Backbone interact. energy: -0.012 local terms energy: -25.045596 where: bonds (distance) C4'-P energy: -5.179 bonds (distance) P-C4' energy: -5.941 flat angles C4'-P-C4' energy: -6.152 flat angles P-C4'-P energy: -4.306 tors. eta vs tors. theta energy: -3.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 420 Temperature: 1.350000 Total energy: -27.754921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.754921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.754921 (E_RNA) where: Base-Base interactions energy: -9.544 where: short stacking energy: -9.626 Base-Backbone interact. energy: -0.100 local terms energy: -18.111185 where: bonds (distance) C4'-P energy: -5.724 bonds (distance) P-C4' energy: -5.509 flat angles C4'-P-C4' energy: -4.166 flat angles P-C4'-P energy: -2.379 tors. eta vs tors. theta energy: -0.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 421 Temperature: 0.900000 Total energy: -43.939538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.939538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.939538 (E_RNA) where: Base-Base interactions energy: -17.719 where: short stacking energy: -17.719 Base-Backbone interact. energy: -0.000 local terms energy: -26.220254 where: bonds (distance) C4'-P energy: -5.419 bonds (distance) P-C4' energy: -6.156 flat angles C4'-P-C4' energy: -4.939 flat angles P-C4'-P energy: -5.418 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: 2, replica: 5 ===================================== Write number: 421 Temperature: 0.950000 Total energy: -33.359717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.359717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.359717 (E_RNA) where: Base-Base interactions energy: -10.061 where: short stacking energy: -10.061 Base-Backbone interact. energy: -0.092 local terms energy: -23.206286 where: bonds (distance) C4'-P energy: -5.982 bonds (distance) P-C4' energy: -6.886 flat angles C4'-P-C4' energy: -6.162 flat angles P-C4'-P energy: -4.997 tors. eta vs tors. theta energy: 0.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 421 Temperature: 1.000000 Total energy: -38.061198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.061198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.061198 (E_RNA) where: Base-Base interactions energy: -12.400 where: short stacking energy: -12.400 Base-Backbone interact. energy: -0.000 local terms energy: -25.660939 where: bonds (distance) C4'-P energy: -5.109 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -6.358 flat angles P-C4'-P energy: -4.131 tors. eta vs tors. theta energy: -3.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 421 Temperature: 1.050000 Total energy: -38.995128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.995128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.995128 (E_RNA) where: Base-Base interactions energy: -14.221 where: short stacking energy: -14.274 Base-Backbone interact. energy: -0.000 local terms energy: -24.773653 where: bonds (distance) C4'-P energy: -5.891 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -5.258 flat angles P-C4'-P energy: -4.648 tors. eta vs tors. theta energy: -2.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 421 Temperature: 1.100000 Total energy: -33.293215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.293215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.293215 (E_RNA) where: Base-Base interactions energy: -13.495 where: short stacking energy: -13.495 Base-Backbone interact. energy: -0.002 local terms energy: -19.796224 where: bonds (distance) C4'-P energy: -4.611 bonds (distance) P-C4' energy: -5.304 flat angles C4'-P-C4' energy: -4.525 flat angles P-C4'-P energy: -4.517 tors. eta vs tors. theta energy: -0.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 421 Temperature: 1.150000 Total energy: -37.106244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.106244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.106244 (E_RNA) where: Base-Base interactions energy: -12.811 where: short stacking energy: -12.811 Base-Backbone interact. energy: 0.265 local terms energy: -24.559912 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -3.901 flat angles P-C4'-P energy: -3.291 tors. eta vs tors. theta energy: -5.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 421 Temperature: 1.200000 Total energy: -33.384757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.384757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.384757 (E_RNA) where: Base-Base interactions energy: -13.138 where: short stacking energy: -13.138 Base-Backbone interact. energy: -0.068 local terms energy: -20.178960 where: bonds (distance) C4'-P energy: -3.600 bonds (distance) P-C4' energy: -5.833 flat angles C4'-P-C4' energy: -2.783 flat angles P-C4'-P energy: -4.565 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: 8, replica: 1 ===================================== Write number: 421 Temperature: 1.250000 Total energy: -32.224484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.224484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.224484 (E_RNA) where: Base-Base interactions energy: -11.223 where: short stacking energy: -11.223 Base-Backbone interact. energy: -0.000 local terms energy: -21.001668 where: bonds (distance) C4'-P energy: -5.278 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -4.424 flat angles P-C4'-P energy: -2.558 tors. eta vs tors. theta energy: -2.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 421 Temperature: 1.300000 Total energy: -29.235050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.235050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.235050 (E_RNA) where: Base-Base interactions energy: -8.914 where: short stacking energy: -8.914 Base-Backbone interact. energy: -0.072 local terms energy: -20.248513 where: bonds (distance) C4'-P energy: -5.419 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -5.586 flat angles P-C4'-P energy: -2.260 tors. eta vs tors. theta energy: 0.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 421 Temperature: 1.350000 Total energy: -31.492605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.492605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.492605 (E_RNA) where: Base-Base interactions energy: -6.889 where: short stacking energy: -6.889 Base-Backbone interact. energy: -0.001 local terms energy: -24.603259 where: bonds (distance) C4'-P energy: -5.473 bonds (distance) P-C4' energy: -6.653 flat angles C4'-P-C4' energy: -6.400 flat angles P-C4'-P energy: -4.801 tors. eta vs tors. theta energy: -1.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 422 Temperature: 0.900000 Total energy: -40.746571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.746571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.746571 (E_RNA) where: Base-Base interactions energy: -18.347 where: short stacking energy: -16.611 Base-Backbone interact. energy: -0.027 local terms energy: -22.372554 where: bonds (distance) C4'-P energy: -5.278 bonds (distance) P-C4' energy: -5.441 flat angles C4'-P-C4' energy: -6.277 flat angles P-C4'-P energy: -3.708 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: 2, replica: 6 ===================================== Write number: 422 Temperature: 0.950000 Total energy: -40.176603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.176603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.176603 (E_RNA) where: Base-Base interactions energy: -14.390 where: short stacking energy: -14.390 Base-Backbone interact. energy: -0.000 local terms energy: -25.786823 where: bonds (distance) C4'-P energy: -6.139 bonds (distance) P-C4' energy: -6.153 flat angles C4'-P-C4' energy: -5.728 flat angles P-C4'-P energy: -3.867 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: 3 ===================================== Write number: 422 Temperature: 1.000000 Total energy: -39.189125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.189125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.189125 (E_RNA) where: Base-Base interactions energy: -17.641 where: short stacking energy: -17.641 Base-Backbone interact. energy: -0.000 local terms energy: -21.548444 where: bonds (distance) C4'-P energy: -5.882 bonds (distance) P-C4' energy: -4.395 flat angles C4'-P-C4' energy: -4.444 flat angles P-C4'-P energy: -2.907 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: 4, replica: 8 ===================================== Write number: 422 Temperature: 1.050000 Total energy: -41.731799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.731799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.731799 (E_RNA) where: Base-Base interactions energy: -16.316 where: short stacking energy: -16.316 Base-Backbone interact. energy: -0.000 local terms energy: -25.415828 where: bonds (distance) C4'-P energy: -5.199 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -6.136 flat angles P-C4'-P energy: -2.993 tors. eta vs tors. theta energy: -4.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 422 Temperature: 1.100000 Total energy: -32.375366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.375366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.375366 (E_RNA) where: Base-Base interactions energy: -8.935 where: short stacking energy: -8.935 Base-Backbone interact. energy: -0.006 local terms energy: -23.434655 where: bonds (distance) C4'-P energy: -5.473 bonds (distance) P-C4' energy: -5.600 flat angles C4'-P-C4' energy: -6.142 flat angles P-C4'-P energy: -3.900 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: 6, replica: 9 ===================================== Write number: 422 Temperature: 1.150000 Total energy: -31.951998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.951998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.951998 (E_RNA) where: Base-Base interactions energy: -9.744 where: short stacking energy: -9.744 Base-Backbone interact. energy: -0.000 local terms energy: -22.208176 where: bonds (distance) C4'-P energy: -3.026 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -4.215 flat angles P-C4'-P energy: -3.684 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: 7, replica: 1 ===================================== Write number: 422 Temperature: 1.200000 Total energy: -33.469858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.469858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.469858 (E_RNA) where: Base-Base interactions energy: -10.211 where: short stacking energy: -10.211 Base-Backbone interact. energy: -0.000 local terms energy: -23.259041 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -4.846 flat angles C4'-P-C4' energy: -6.096 flat angles P-C4'-P energy: -4.567 tors. eta vs tors. theta energy: -1.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 422 Temperature: 1.250000 Total energy: -32.146634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.146634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.146634 (E_RNA) where: Base-Base interactions energy: -13.840 where: short stacking energy: -13.840 Base-Backbone interact. energy: -0.001 local terms energy: -18.305310 where: bonds (distance) C4'-P energy: -1.477 bonds (distance) P-C4' energy: -5.674 flat angles C4'-P-C4' energy: -5.408 flat angles P-C4'-P energy: -4.252 tors. eta vs tors. theta energy: -1.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 422 Temperature: 1.300000 Total energy: -29.743172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.743172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.743172 (E_RNA) where: Base-Base interactions energy: -9.272 where: short stacking energy: -9.272 Base-Backbone interact. energy: -0.001 local terms energy: -20.470908 where: bonds (distance) C4'-P energy: -4.673 bonds (distance) P-C4' energy: -5.594 flat angles C4'-P-C4' energy: -5.001 flat angles P-C4'-P energy: -4.330 tors. eta vs tors. theta energy: -0.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 422 Temperature: 1.350000 Total energy: -30.365007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.365007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.365007 (E_RNA) where: Base-Base interactions energy: -7.924 where: short stacking energy: -7.924 Base-Backbone interact. energy: -0.001 local terms energy: -22.440285 where: bonds (distance) C4'-P energy: -6.044 bonds (distance) P-C4' energy: -5.600 flat angles C4'-P-C4' energy: -5.090 flat angles P-C4'-P energy: -4.518 tors. eta vs tors. theta energy: -1.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 423 Temperature: 0.900000 Total energy: -39.520970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.520970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.520970 (E_RNA) where: Base-Base interactions energy: -14.227 where: short stacking energy: -14.227 Base-Backbone interact. energy: -0.004 local terms energy: -25.290535 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -6.027 flat angles P-C4'-P energy: -4.337 tors. eta vs tors. theta energy: -2.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 423 Temperature: 0.950000 Total energy: -43.233861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.233861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.233861 (E_RNA) where: Base-Base interactions energy: -17.724 where: short stacking energy: -17.724 Base-Backbone interact. energy: -0.004 local terms energy: -25.505973 where: bonds (distance) C4'-P energy: -4.432 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -6.162 flat angles P-C4'-P energy: -4.248 tors. eta vs tors. theta energy: -4.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 423 Temperature: 1.000000 Total energy: -37.440851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.440851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.440851 (E_RNA) where: Base-Base interactions energy: -13.151 where: short stacking energy: -13.151 Base-Backbone interact. energy: -0.013 local terms energy: -24.276847 where: bonds (distance) C4'-P energy: -6.362 bonds (distance) P-C4' energy: -6.199 flat angles C4'-P-C4' energy: -3.056 flat angles P-C4'-P energy: -5.082 tors. eta vs tors. theta energy: -3.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 423 Temperature: 1.050000 Total energy: -43.275786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.275786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.275786 (E_RNA) where: Base-Base interactions energy: -18.391 where: short stacking energy: -18.391 Base-Backbone interact. energy: -0.000 local terms energy: -24.884629 where: bonds (distance) C4'-P energy: -5.171 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -4.868 flat angles P-C4'-P energy: -3.246 tors. eta vs tors. theta energy: -5.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 423 Temperature: 1.100000 Total energy: -36.751693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.751693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.751693 (E_RNA) where: Base-Base interactions energy: -14.477 where: short stacking energy: -14.477 Base-Backbone interact. energy: -0.000 local terms energy: -22.275160 where: bonds (distance) C4'-P energy: -2.944 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.678 flat angles P-C4'-P energy: -3.791 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: 6, replica: 1 ===================================== Write number: 423 Temperature: 1.150000 Total energy: -34.802917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.802917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.802917 (E_RNA) where: Base-Base interactions energy: -14.414 where: short stacking energy: -14.414 Base-Backbone interact. energy: -0.001 local terms energy: -20.387102 where: bonds (distance) C4'-P energy: -3.849 bonds (distance) P-C4' energy: -6.382 flat angles C4'-P-C4' energy: -5.027 flat angles P-C4'-P energy: -3.121 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: 7, replica: 9 ===================================== Write number: 423 Temperature: 1.200000 Total energy: -36.965061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.965061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.965061 (E_RNA) where: Base-Base interactions energy: -11.971 where: short stacking energy: -11.971 Base-Backbone interact. energy: -0.000 local terms energy: -24.993739 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -5.924 flat angles P-C4'-P energy: -2.809 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: 8, replica: 7 ===================================== Write number: 423 Temperature: 1.250000 Total energy: -28.606588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.606588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.606588 (E_RNA) where: Base-Base interactions energy: -5.915 where: short stacking energy: -5.915 Base-Backbone interact. energy: -0.307 local terms energy: -22.384292 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -5.610 flat angles C4'-P-C4' energy: -4.247 flat angles P-C4'-P energy: -4.483 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: 9, replica: 2 ===================================== Write number: 423 Temperature: 1.300000 Total energy: -31.816628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.816628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.816628 (E_RNA) where: Base-Base interactions energy: -9.624 where: short stacking energy: -9.624 Base-Backbone interact. energy: -0.046 local terms energy: -22.147124 where: bonds (distance) C4'-P energy: -5.837 bonds (distance) P-C4' energy: -6.199 flat angles C4'-P-C4' energy: -4.402 flat angles P-C4'-P energy: -4.929 tors. eta vs tors. theta energy: -0.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 423 Temperature: 1.350000 Total energy: -31.443579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.443579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.443579 (E_RNA) where: Base-Base interactions energy: -7.747 where: short stacking energy: -7.747 Base-Backbone interact. energy: -0.007 local terms energy: -23.689844 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -6.148 flat angles P-C4'-P energy: -4.177 tors. eta vs tors. theta energy: -1.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 424 Temperature: 0.900000 Total energy: -38.641254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.641254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.641254 (E_RNA) where: Base-Base interactions energy: -13.228 where: short stacking energy: -13.228 Base-Backbone interact. energy: -0.007 local terms energy: -25.406721 where: bonds (distance) C4'-P energy: -6.246 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -5.585 flat angles P-C4'-P energy: -3.043 tors. eta vs tors. theta energy: -3.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 424 Temperature: 0.950000 Total energy: -34.733536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.733536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.733536 (E_RNA) where: Base-Base interactions energy: -11.821 where: short stacking energy: -11.821 Base-Backbone interact. energy: -0.042 local terms energy: -22.870174 where: bonds (distance) C4'-P energy: -5.535 bonds (distance) P-C4' energy: -6.118 flat angles C4'-P-C4' energy: -4.718 flat angles P-C4'-P energy: -4.408 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: 3, replica: 4 ===================================== Write number: 424 Temperature: 1.000000 Total energy: -34.739300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.739300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.739300 (E_RNA) where: Base-Base interactions energy: -8.790 where: short stacking energy: -8.790 Base-Backbone interact. energy: -0.000 local terms energy: -25.948987 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -5.991 flat angles P-C4'-P energy: -3.907 tors. eta vs tors. theta energy: -2.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 424 Temperature: 1.050000 Total energy: -32.972087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.972087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.972087 (E_RNA) where: Base-Base interactions energy: -9.548 where: short stacking energy: -9.548 Base-Backbone interact. energy: -0.090 local terms energy: -23.334181 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -5.886 flat angles C4'-P-C4' energy: -5.547 flat angles P-C4'-P energy: -4.469 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: 5, replica: 1 ===================================== Write number: 424 Temperature: 1.100000 Total energy: -35.691999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.691999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.691999 (E_RNA) where: Base-Base interactions energy: -13.401 where: short stacking energy: -13.401 Base-Backbone interact. energy: -0.000 local terms energy: -22.291194 where: bonds (distance) C4'-P energy: -5.411 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -4.099 flat angles P-C4'-P energy: -3.465 tors. eta vs tors. theta energy: -2.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 424 Temperature: 1.150000 Total energy: -31.271493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.271493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.271493 (E_RNA) where: Base-Base interactions energy: -9.192 where: short stacking energy: -9.192 Base-Backbone interact. energy: -0.412 local terms energy: -21.667841 where: bonds (distance) C4'-P energy: -3.122 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -6.077 flat angles P-C4'-P energy: -3.691 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: 7, replica: 7 ===================================== Write number: 424 Temperature: 1.200000 Total energy: -32.459655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.459655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.459655 (E_RNA) where: Base-Base interactions energy: -9.317 where: short stacking energy: -9.317 Base-Backbone interact. energy: -0.002 local terms energy: -23.140063 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -4.910 flat angles C4'-P-C4' energy: -5.095 flat angles P-C4'-P energy: -4.438 tors. eta vs tors. theta energy: -2.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 424 Temperature: 1.250000 Total energy: -31.402894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.402894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.402894 (E_RNA) where: Base-Base interactions energy: -9.211 where: short stacking energy: -9.211 Base-Backbone interact. energy: -0.040 local terms energy: -22.151625 where: bonds (distance) C4'-P energy: -4.975 bonds (distance) P-C4' energy: -5.826 flat angles C4'-P-C4' energy: -4.792 flat angles P-C4'-P energy: -4.140 tors. eta vs tors. theta energy: -2.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 424 Temperature: 1.300000 Total energy: -29.838023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.838023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.838023 (E_RNA) where: Base-Base interactions energy: -7.955 where: short stacking energy: -7.955 Base-Backbone interact. energy: -0.002 local terms energy: -21.880742 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -4.883 flat angles P-C4'-P energy: -3.196 tors. eta vs tors. theta energy: -0.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 424 Temperature: 1.350000 Total energy: -27.955087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.955087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.955087 (E_RNA) where: Base-Base interactions energy: -8.251 where: short stacking energy: -8.251 Base-Backbone interact. energy: -0.002 local terms energy: -19.702130 where: bonds (distance) C4'-P energy: -3.369 bonds (distance) P-C4' energy: -6.122 flat angles C4'-P-C4' energy: -5.533 flat angles P-C4'-P energy: -4.774 tors. eta vs tors. theta energy: 0.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 425 Temperature: 0.900000 Total energy: -34.256169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.256169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.256169 (E_RNA) where: Base-Base interactions energy: -11.403 where: short stacking energy: -11.403 Base-Backbone interact. energy: 0.554 local terms energy: -23.407853 where: bonds (distance) C4'-P energy: -3.477 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -6.475 flat angles P-C4'-P energy: -5.692 tors. eta vs tors. theta energy: -1.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 425 Temperature: 0.950000 Total energy: -40.883974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.883974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.883974 (E_RNA) where: Base-Base interactions energy: -18.363 where: short stacking energy: -18.363 Base-Backbone interact. energy: -0.017 local terms energy: -22.504248 where: bonds (distance) C4'-P energy: -4.959 bonds (distance) P-C4' energy: -4.684 flat angles C4'-P-C4' energy: -6.239 flat angles P-C4'-P energy: -3.348 tors. eta vs tors. theta energy: -3.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 425 Temperature: 1.000000 Total energy: -37.371705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.371705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.371705 (E_RNA) where: Base-Base interactions energy: -15.887 where: short stacking energy: -15.887 Base-Backbone interact. energy: -0.000 local terms energy: -21.484423 where: bonds (distance) C4'-P energy: -3.423 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -4.520 flat angles P-C4'-P energy: -3.944 tors. eta vs tors. theta energy: -2.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 425 Temperature: 1.050000 Total energy: -43.953853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.953853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.953853 (E_RNA) where: Base-Base interactions energy: -18.462 where: short stacking energy: -18.462 Base-Backbone interact. energy: -0.000 local terms energy: -25.491378 where: bonds (distance) C4'-P energy: -4.628 bonds (distance) P-C4' energy: -5.597 flat angles C4'-P-C4' energy: -6.288 flat angles P-C4'-P energy: -4.907 tors. eta vs tors. theta energy: -4.072 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: 6 ===================================== Write number: 425 Temperature: 1.100000 Total energy: -31.090768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.090768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.090768 (E_RNA) where: Base-Base interactions energy: -8.838 where: short stacking energy: -8.838 Base-Backbone interact. energy: -0.077 local terms energy: -22.175836 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -5.081 flat angles P-C4'-P energy: -3.361 tors. eta vs tors. theta energy: -0.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 425 Temperature: 1.150000 Total energy: -32.132350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.132350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.132350 (E_RNA) where: Base-Base interactions energy: -14.336 where: short stacking energy: -14.336 Base-Backbone interact. energy: -0.082 local terms energy: -17.714552 where: bonds (distance) C4'-P energy: -4.346 bonds (distance) P-C4' energy: -5.956 flat angles C4'-P-C4' energy: -4.897 flat angles P-C4'-P energy: -3.561 tors. eta vs tors. theta energy: 1.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 425 Temperature: 1.200000 Total energy: -35.018812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.018812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.018812 (E_RNA) where: Base-Base interactions energy: -12.730 where: short stacking energy: -12.730 Base-Backbone interact. energy: -0.095 local terms energy: -22.193818 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.047 flat angles P-C4'-P energy: -3.426 tors. eta vs tors. theta energy: -0.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 425 Temperature: 1.250000 Total energy: -32.019655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.019655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.019655 (E_RNA) where: Base-Base interactions energy: -14.295 where: short stacking energy: -14.295 Base-Backbone interact. energy: -0.097 local terms energy: -17.627749 where: bonds (distance) C4'-P energy: -2.578 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -2.692 flat angles P-C4'-P energy: -3.540 tors. eta vs tors. theta energy: -1.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 425 Temperature: 1.300000 Total energy: -33.401264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.401264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.401264 (E_RNA) where: Base-Base interactions energy: -14.165 where: short stacking energy: -14.165 Base-Backbone interact. energy: -0.000 local terms energy: -19.235931 where: bonds (distance) C4'-P energy: -5.535 bonds (distance) P-C4' energy: -5.334 flat angles C4'-P-C4' energy: -5.489 flat angles P-C4'-P energy: -0.400 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: 10, replica: 2 ===================================== Write number: 425 Temperature: 1.350000 Total energy: -28.498412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.498412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.498412 (E_RNA) where: Base-Base interactions energy: -13.397 where: short stacking energy: -13.397 Base-Backbone interact. energy: -0.004 local terms energy: -15.096583 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -3.617 flat angles C4'-P-C4' energy: -2.624 flat angles P-C4'-P energy: -1.676 tors. eta vs tors. theta energy: -1.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 426 Temperature: 0.900000 Total energy: -36.068159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.068159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.068159 (E_RNA) where: Base-Base interactions energy: -14.286 where: short stacking energy: -14.286 Base-Backbone interact. energy: -0.018 local terms energy: -21.763736 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -5.668 flat angles C4'-P-C4' energy: -4.967 flat angles P-C4'-P energy: -4.698 tors. eta vs tors. theta energy: -0.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 426 Temperature: 0.950000 Total energy: -34.852821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.852821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.852821 (E_RNA) where: Base-Base interactions energy: -9.681 where: short stacking energy: -9.681 Base-Backbone interact. energy: -0.053 local terms energy: -25.119345 where: bonds (distance) C4'-P energy: -5.411 bonds (distance) P-C4' energy: -5.628 flat angles C4'-P-C4' energy: -6.063 flat angles P-C4'-P energy: -5.181 tors. eta vs tors. theta energy: -2.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 426 Temperature: 1.000000 Total energy: -34.035037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.035037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.035037 (E_RNA) where: Base-Base interactions energy: -13.219 where: short stacking energy: -13.219 Base-Backbone interact. energy: -0.007 local terms energy: -20.808930 where: bonds (distance) C4'-P energy: -2.826 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -5.939 flat angles P-C4'-P energy: -3.900 tors. eta vs tors. theta energy: -1.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 426 Temperature: 1.050000 Total energy: -30.122942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.122942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.122942 (E_RNA) where: Base-Base interactions energy: -10.461 where: short stacking energy: -7.759 Base-Backbone interact. energy: -0.065 local terms energy: -19.597367 where: bonds (distance) C4'-P energy: -4.231 bonds (distance) P-C4' energy: -5.150 flat angles C4'-P-C4' energy: -5.915 flat angles P-C4'-P energy: -3.925 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: 5, replica: 7 ===================================== Write number: 426 Temperature: 1.100000 Total energy: -39.562228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.562228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.562228 (E_RNA) where: Base-Base interactions energy: -14.984 where: short stacking energy: -14.984 Base-Backbone interact. energy: -0.000 local terms energy: -24.577982 where: bonds (distance) C4'-P energy: -6.354 bonds (distance) P-C4' energy: -5.364 flat angles C4'-P-C4' energy: -5.050 flat angles P-C4'-P energy: -4.072 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: 6, replica: 6 ===================================== Write number: 426 Temperature: 1.150000 Total energy: -29.582729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.582729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.582729 (E_RNA) where: Base-Base interactions energy: -8.971 where: short stacking energy: -8.971 Base-Backbone interact. energy: -0.002 local terms energy: -20.608964 where: bonds (distance) C4'-P energy: -4.694 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.100 flat angles P-C4'-P energy: -4.859 tors. eta vs tors. theta energy: 0.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 426 Temperature: 1.200000 Total energy: -32.310663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.310663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.310663 (E_RNA) where: Base-Base interactions energy: -12.063 where: short stacking energy: -12.063 Base-Backbone interact. energy: -0.000 local terms energy: -20.247519 where: bonds (distance) C4'-P energy: -4.107 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.562 flat angles P-C4'-P energy: -3.090 tors. eta vs tors. theta energy: -0.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 426 Temperature: 1.250000 Total energy: -34.681997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.681997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.681997 (E_RNA) where: Base-Base interactions energy: -13.811 where: short stacking energy: -13.811 Base-Backbone interact. energy: -0.000 local terms energy: -20.870864 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -3.921 flat angles P-C4'-P energy: -2.659 tors. eta vs tors. theta energy: -1.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 426 Temperature: 1.300000 Total energy: -30.407281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.407281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.407281 (E_RNA) where: Base-Base interactions energy: -8.962 where: short stacking energy: -8.962 Base-Backbone interact. energy: -0.002 local terms energy: -21.443803 where: bonds (distance) C4'-P energy: -3.867 bonds (distance) P-C4' energy: -6.438 flat angles C4'-P-C4' energy: -4.211 flat angles P-C4'-P energy: -4.292 tors. eta vs tors. theta energy: -2.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 426 Temperature: 1.350000 Total energy: -24.659445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.659445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.659445 (E_RNA) where: Base-Base interactions energy: -7.470 where: short stacking energy: -7.470 Base-Backbone interact. energy: -0.109 local terms energy: -17.080195 where: bonds (distance) C4'-P energy: -3.936 bonds (distance) P-C4' energy: -5.205 flat angles C4'-P-C4' energy: -4.637 flat angles P-C4'-P energy: -3.840 tors. eta vs tors. theta energy: 0.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 427 Temperature: 0.900000 Total energy: -43.598936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.598936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.598936 (E_RNA) where: Base-Base interactions energy: -15.797 where: short stacking energy: -15.797 Base-Backbone interact. energy: -0.000 local terms energy: -27.802144 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -5.904 flat angles P-C4'-P energy: -2.365 tors. eta vs tors. theta energy: -6.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 427 Temperature: 0.950000 Total energy: -34.853612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.853612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.853612 (E_RNA) where: Base-Base interactions energy: -12.911 where: short stacking energy: -12.911 Base-Backbone interact. energy: -0.023 local terms energy: -21.920210 where: bonds (distance) C4'-P energy: -4.098 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -5.656 flat angles P-C4'-P energy: -3.877 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: 3, replica: 4 ===================================== Write number: 427 Temperature: 1.000000 Total energy: -35.007522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.007522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.007522 (E_RNA) where: Base-Base interactions energy: -13.478 where: short stacking energy: -13.478 Base-Backbone interact. energy: -0.016 local terms energy: -21.513092 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -5.730 flat angles C4'-P-C4' energy: -5.160 flat angles P-C4'-P energy: -3.248 tors. eta vs tors. theta energy: -1.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 427 Temperature: 1.050000 Total energy: -36.557489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.557489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.557489 (E_RNA) where: Base-Base interactions energy: -13.706 where: short stacking energy: -13.706 Base-Backbone interact. energy: -0.003 local terms energy: -22.847949 where: bonds (distance) C4'-P energy: -4.735 bonds (distance) P-C4' energy: -7.144 flat angles C4'-P-C4' energy: -5.090 flat angles P-C4'-P energy: -3.901 tors. eta vs tors. theta energy: -1.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 427 Temperature: 1.100000 Total energy: -32.203615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.203615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.203615 (E_RNA) where: Base-Base interactions energy: -13.005 where: short stacking energy: -13.005 Base-Backbone interact. energy: -0.047 local terms energy: -19.152299 where: bonds (distance) C4'-P energy: -5.484 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -2.840 flat angles P-C4'-P energy: -2.414 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: 10 ===================================== Write number: 427 Temperature: 1.150000 Total energy: -32.964747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.964747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.964747 (E_RNA) where: Base-Base interactions energy: -13.822 where: short stacking energy: -13.822 Base-Backbone interact. energy: -0.006 local terms energy: -19.136789 where: bonds (distance) C4'-P energy: -3.751 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -4.696 flat angles P-C4'-P energy: -4.123 tors. eta vs tors. theta energy: -0.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 427 Temperature: 1.200000 Total energy: -28.926879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.926879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.926879 (E_RNA) where: Base-Base interactions energy: -8.892 where: short stacking energy: -8.892 Base-Backbone interact. energy: -0.028 local terms energy: -20.006710 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -7.144 flat angles C4'-P-C4' energy: -4.247 flat angles P-C4'-P energy: -2.646 tors. eta vs tors. theta energy: -0.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 427 Temperature: 1.250000 Total energy: -33.272687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.272687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.272687 (E_RNA) where: Base-Base interactions energy: -12.171 where: short stacking energy: -12.171 Base-Backbone interact. energy: -0.039 local terms energy: -21.062968 where: bonds (distance) C4'-P energy: -5.029 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -5.249 flat angles P-C4'-P energy: -0.785 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: 9, replica: 8 ===================================== Write number: 427 Temperature: 1.300000 Total energy: -30.082587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.082587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.082587 (E_RNA) where: Base-Base interactions energy: -9.945 where: short stacking energy: -9.945 Base-Backbone interact. energy: -0.085 local terms energy: -20.052223 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -4.386 flat angles C4'-P-C4' energy: -6.101 flat angles P-C4'-P energy: -3.227 tors. eta vs tors. theta energy: -0.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 427 Temperature: 1.350000 Total energy: -28.795516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.795516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.795516 (E_RNA) where: Base-Base interactions energy: -7.995 where: short stacking energy: -7.995 Base-Backbone interact. energy: -0.103 local terms energy: -20.696821 where: bonds (distance) C4'-P energy: -6.006 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -4.075 flat angles P-C4'-P energy: -3.859 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: 1, replica: 3 ===================================== Write number: 428 Temperature: 0.900000 Total energy: -45.197090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.197090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.197090 (E_RNA) where: Base-Base interactions energy: -14.768 where: short stacking energy: -14.768 Base-Backbone interact. energy: -0.000 local terms energy: -30.428630 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -6.873 flat angles C4'-P-C4' energy: -6.256 flat angles P-C4'-P energy: -4.219 tors. eta vs tors. theta energy: -7.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 428 Temperature: 0.950000 Total energy: -37.413917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.413917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.413917 (E_RNA) where: Base-Base interactions energy: -14.813 where: short stacking energy: -14.813 Base-Backbone interact. energy: -0.048 local terms energy: -22.552632 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -4.914 flat angles C4'-P-C4' energy: -5.412 flat angles P-C4'-P energy: -4.842 tors. eta vs tors. theta energy: -1.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 428 Temperature: 1.000000 Total energy: -33.529295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.529295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.529295 (E_RNA) where: Base-Base interactions energy: -12.083 where: short stacking energy: -12.083 Base-Backbone interact. energy: -0.002 local terms energy: -21.443997 where: bonds (distance) C4'-P energy: -3.709 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -5.904 flat angles P-C4'-P energy: -3.678 tors. eta vs tors. theta energy: -1.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 428 Temperature: 1.050000 Total energy: -32.716732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.716732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.716732 (E_RNA) where: Base-Base interactions energy: -8.642 where: short stacking energy: -8.642 Base-Backbone interact. energy: -1.073 local terms energy: -23.001930 where: bonds (distance) C4'-P energy: -5.766 bonds (distance) P-C4' energy: -5.261 flat angles C4'-P-C4' energy: -5.341 flat angles P-C4'-P energy: -4.809 tors. eta vs tors. theta energy: -1.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 428 Temperature: 1.100000 Total energy: -34.543580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.543580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.543580 (E_RNA) where: Base-Base interactions energy: -14.931 where: short stacking energy: -14.931 Base-Backbone interact. energy: -0.001 local terms energy: -19.610807 where: bonds (distance) C4'-P energy: -5.277 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -3.636 flat angles P-C4'-P energy: -2.606 tors. eta vs tors. theta energy: -1.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 428 Temperature: 1.150000 Total energy: -34.422443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.422443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.422443 (E_RNA) where: Base-Base interactions energy: -13.950 where: short stacking energy: -13.950 Base-Backbone interact. energy: -0.000 local terms energy: -20.472053 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -6.622 flat angles C4'-P-C4' energy: -4.563 flat angles P-C4'-P energy: -2.528 tors. eta vs tors. theta energy: -1.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 428 Temperature: 1.200000 Total energy: -35.192744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.192744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.192744 (E_RNA) where: Base-Base interactions energy: -12.194 where: short stacking energy: -12.194 Base-Backbone interact. energy: -0.000 local terms energy: -22.998139 where: bonds (distance) C4'-P energy: -5.651 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -5.827 flat angles P-C4'-P energy: -2.677 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: 8, replica: 6 ===================================== Write number: 428 Temperature: 1.250000 Total energy: -31.968270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.968270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.968270 (E_RNA) where: Base-Base interactions energy: -11.207 where: short stacking energy: -11.207 Base-Backbone interact. energy: -0.107 local terms energy: -20.653939 where: bonds (distance) C4'-P energy: -4.206 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -4.766 flat angles P-C4'-P energy: -3.072 tors. eta vs tors. theta energy: -1.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 428 Temperature: 1.300000 Total energy: -36.305197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.305197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.305197 (E_RNA) where: Base-Base interactions energy: -10.459 where: short stacking energy: -10.459 Base-Backbone interact. energy: -0.000 local terms energy: -25.846296 where: bonds (distance) C4'-P energy: -5.990 bonds (distance) P-C4' energy: -4.526 flat angles C4'-P-C4' energy: -5.838 flat angles P-C4'-P energy: -4.585 tors. eta vs tors. theta energy: -4.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 428 Temperature: 1.350000 Total energy: -30.834318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.834318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.834318 (E_RNA) where: Base-Base interactions energy: -7.508 where: short stacking energy: -7.676 Base-Backbone interact. energy: -0.001 local terms energy: -23.325622 where: bonds (distance) C4'-P energy: -5.501 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -5.478 flat angles P-C4'-P energy: -4.821 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: 3 ===================================== Write number: 429 Temperature: 0.900000 Total energy: -39.427509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.427509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.427509 (E_RNA) where: Base-Base interactions energy: -13.796 where: short stacking energy: -13.796 Base-Backbone interact. energy: -0.004 local terms energy: -25.627001 where: bonds (distance) C4'-P energy: -6.354 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -4.045 flat angles P-C4'-P energy: -5.088 tors. eta vs tors. theta energy: -3.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 429 Temperature: 0.950000 Total energy: -38.225571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.225571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.225571 (E_RNA) where: Base-Base interactions energy: -13.737 where: short stacking energy: -13.737 Base-Backbone interact. energy: -0.056 local terms energy: -24.433118 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -5.323 flat angles P-C4'-P energy: -4.368 tors. eta vs tors. theta energy: -2.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 429 Temperature: 1.000000 Total energy: -44.075271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.075271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.075271 (E_RNA) where: Base-Base interactions energy: -16.648 where: short stacking energy: -16.648 Base-Backbone interact. energy: -0.000 local terms energy: -27.427352 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -6.024 flat angles P-C4'-P energy: -3.800 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: 10 ===================================== Write number: 429 Temperature: 1.050000 Total energy: -37.183657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.183657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.183657 (E_RNA) where: Base-Base interactions energy: -13.092 where: short stacking energy: -13.092 Base-Backbone interact. energy: -0.071 local terms energy: -24.021162 where: bonds (distance) C4'-P energy: -4.755 bonds (distance) P-C4' energy: -5.541 flat angles C4'-P-C4' energy: -6.781 flat angles P-C4'-P energy: -5.119 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: 5, replica: 5 ===================================== Write number: 429 Temperature: 1.100000 Total energy: -33.617310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.617310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.617310 (E_RNA) where: Base-Base interactions energy: -12.453 where: short stacking energy: -12.453 Base-Backbone interact. energy: -0.002 local terms energy: -21.162740 where: bonds (distance) C4'-P energy: -4.686 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -5.022 flat angles P-C4'-P energy: -2.966 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: 6, replica: 2 ===================================== Write number: 429 Temperature: 1.150000 Total energy: -34.682784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.682784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.682784 (E_RNA) where: Base-Base interactions energy: -12.327 where: short stacking energy: -12.327 Base-Backbone interact. energy: -0.000 local terms energy: -22.355858 where: bonds (distance) C4'-P energy: -5.099 bonds (distance) P-C4' energy: -6.889 flat angles C4'-P-C4' energy: -2.325 flat angles P-C4'-P energy: -3.731 tors. eta vs tors. theta energy: -4.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 429 Temperature: 1.200000 Total energy: -30.957642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.957642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.957642 (E_RNA) where: Base-Base interactions energy: -9.993 where: short stacking energy: -9.993 Base-Backbone interact. energy: -0.000 local terms energy: -20.964254 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -4.260 flat angles P-C4'-P energy: -1.829 tors. eta vs tors. theta energy: -2.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 429 Temperature: 1.250000 Total energy: -33.309477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.309477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.309477 (E_RNA) where: Base-Base interactions energy: -10.225 where: short stacking energy: -10.225 Base-Backbone interact. energy: -0.005 local terms energy: -23.079002 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -4.510 flat angles P-C4'-P energy: -3.884 tors. eta vs tors. theta energy: -1.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 429 Temperature: 1.300000 Total energy: -28.650878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.650878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.650878 (E_RNA) where: Base-Base interactions energy: -8.030 where: short stacking energy: -8.030 Base-Backbone interact. energy: -0.010 local terms energy: -20.610720 where: bonds (distance) C4'-P energy: -5.340 bonds (distance) P-C4' energy: -4.790 flat angles C4'-P-C4' energy: -5.310 flat angles P-C4'-P energy: -4.356 tors. eta vs tors. theta energy: -0.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 429 Temperature: 1.350000 Total energy: -31.184831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.184831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.184831 (E_RNA) where: Base-Base interactions energy: -9.968 where: short stacking energy: -9.968 Base-Backbone interact. energy: -0.000 local terms energy: -21.217272 where: bonds (distance) C4'-P energy: -4.789 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -2.655 flat angles P-C4'-P energy: -4.072 tors. eta vs tors. theta energy: -2.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 430 Temperature: 0.900000 Total energy: -37.753006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.753006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.753006 (E_RNA) where: Base-Base interactions energy: -12.996 where: short stacking energy: -12.996 Base-Backbone interact. energy: -0.045 local terms energy: -24.711796 where: bonds (distance) C4'-P energy: -6.362 bonds (distance) P-C4' energy: -7.144 flat angles C4'-P-C4' energy: -5.131 flat angles P-C4'-P energy: -4.263 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: 2, replica: 1 ===================================== Write number: 430 Temperature: 0.950000 Total energy: -37.535079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.535079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.535079 (E_RNA) where: Base-Base interactions energy: -13.222 where: short stacking energy: -13.222 Base-Backbone interact. energy: -0.286 local terms energy: -24.027449 where: bonds (distance) C4'-P energy: -6.014 bonds (distance) P-C4' energy: -5.874 flat angles C4'-P-C4' energy: -6.538 flat angles P-C4'-P energy: -3.812 tors. eta vs tors. theta energy: -1.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 430 Temperature: 1.000000 Total energy: -36.938600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.938600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.938600 (E_RNA) where: Base-Base interactions energy: -16.546 where: short stacking energy: -16.546 Base-Backbone interact. energy: -0.016 local terms energy: -20.376648 where: bonds (distance) C4'-P energy: -3.382 bonds (distance) P-C4' energy: -5.537 flat angles C4'-P-C4' energy: -6.397 flat angles P-C4'-P energy: -4.742 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: 4, replica: 4 ===================================== Write number: 430 Temperature: 1.050000 Total energy: -32.681196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.681196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.681196 (E_RNA) where: Base-Base interactions energy: -10.814 where: short stacking energy: -10.814 Base-Backbone interact. energy: -0.101 local terms energy: -21.766402 where: bonds (distance) C4'-P energy: -5.199 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -6.222 flat angles P-C4'-P energy: -3.254 tors. eta vs tors. theta energy: -1.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 430 Temperature: 1.100000 Total energy: -30.948593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.948593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.948593 (E_RNA) where: Base-Base interactions energy: -9.999 where: short stacking energy: -9.999 Base-Backbone interact. energy: -0.001 local terms energy: -20.948157 where: bonds (distance) C4'-P energy: -5.766 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -5.417 flat angles P-C4'-P energy: -3.308 tors. eta vs tors. theta energy: -0.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 430 Temperature: 1.150000 Total energy: -31.784353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.784353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.784353 (E_RNA) where: Base-Base interactions energy: -9.745 where: short stacking energy: -9.745 Base-Backbone interact. energy: -0.003 local terms energy: -22.037077 where: bonds (distance) C4'-P energy: -4.656 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.040 flat angles P-C4'-P energy: -3.790 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: 7, replica: 9 ===================================== Write number: 430 Temperature: 1.200000 Total energy: -34.014591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.014591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.014591 (E_RNA) where: Base-Base interactions energy: -12.376 where: short stacking energy: -12.376 Base-Backbone interact. energy: -0.001 local terms energy: -21.637495 where: bonds (distance) C4'-P energy: -5.021 bonds (distance) P-C4' energy: -5.830 flat angles C4'-P-C4' energy: -4.862 flat angles P-C4'-P energy: -2.883 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: 8, replica: 7 ===================================== Write number: 430 Temperature: 1.250000 Total energy: -34.084967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.084967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.084967 (E_RNA) where: Base-Base interactions energy: -9.820 where: short stacking energy: -9.820 Base-Backbone interact. energy: -0.790 local terms energy: -23.475339 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -5.054 flat angles C4'-P-C4' energy: -4.527 flat angles P-C4'-P energy: -2.806 tors. eta vs tors. theta energy: -5.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 430 Temperature: 1.300000 Total energy: -33.090018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.090018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.090018 (E_RNA) where: Base-Base interactions energy: -12.515 where: short stacking energy: -12.515 Base-Backbone interact. energy: -0.014 local terms energy: -20.560816 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -5.276 flat angles C4'-P-C4' energy: -2.701 flat angles P-C4'-P energy: -4.311 tors. eta vs tors. theta energy: -2.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 430 Temperature: 1.350000 Total energy: -29.635950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.635950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.635950 (E_RNA) where: Base-Base interactions energy: -9.460 where: short stacking energy: -9.460 Base-Backbone interact. energy: -0.068 local terms energy: -20.107845 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -5.726 flat angles P-C4'-P energy: -0.483 tors. eta vs tors. theta energy: -1.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 431 Temperature: 0.900000 Total energy: -38.491245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.491245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.491245 (E_RNA) where: Base-Base interactions energy: -15.376 where: short stacking energy: -15.376 Base-Backbone interact. energy: -0.004 local terms energy: -23.111651 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -6.078 flat angles P-C4'-P energy: -4.718 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: 2, replica: 10 ===================================== Write number: 431 Temperature: 0.950000 Total energy: -37.423178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.423178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.423178 (E_RNA) where: Base-Base interactions energy: -14.486 where: short stacking energy: -14.486 Base-Backbone interact. energy: -0.006 local terms energy: -22.930681 where: bonds (distance) C4'-P energy: -6.006 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.454 flat angles P-C4'-P energy: -5.008 tors. eta vs tors. theta energy: -1.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 431 Temperature: 1.000000 Total energy: -32.972823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.972823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.972823 (E_RNA) where: Base-Base interactions energy: -8.124 where: short stacking energy: -8.124 Base-Backbone interact. energy: -0.007 local terms energy: -24.842466 where: bonds (distance) C4'-P energy: -4.611 bonds (distance) P-C4' energy: -6.107 flat angles C4'-P-C4' energy: -5.726 flat angles P-C4'-P energy: -4.755 tors. eta vs tors. theta energy: -3.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 431 Temperature: 1.050000 Total energy: -36.456467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.456467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.456467 (E_RNA) where: Base-Base interactions energy: -13.559 where: short stacking energy: -13.559 Base-Backbone interact. energy: -0.109 local terms energy: -22.787893 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -5.861 flat angles C4'-P-C4' energy: -6.216 flat angles P-C4'-P energy: -3.751 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: 5, replica: 4 ===================================== Write number: 431 Temperature: 1.100000 Total energy: -35.961875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.961875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.961875 (E_RNA) where: Base-Base interactions energy: -10.985 where: short stacking energy: -10.985 Base-Backbone interact. energy: -0.019 local terms energy: -24.957305 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -4.796 flat angles P-C4'-P energy: -4.922 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: 6, replica: 9 ===================================== Write number: 431 Temperature: 1.150000 Total energy: -37.066737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.066737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.066737 (E_RNA) where: Base-Base interactions energy: -11.945 where: short stacking energy: -11.945 Base-Backbone interact. energy: -0.000 local terms energy: -25.121911 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -5.833 flat angles C4'-P-C4' energy: -6.290 flat angles P-C4'-P energy: -5.410 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: 7, replica: 5 ===================================== Write number: 431 Temperature: 1.200000 Total energy: -33.147302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.147302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.147302 (E_RNA) where: Base-Base interactions energy: -11.756 where: short stacking energy: -11.756 Base-Backbone interact. energy: -0.003 local terms energy: -21.388832 where: bonds (distance) C4'-P energy: -3.833 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -5.897 flat angles P-C4'-P energy: -2.155 tors. eta vs tors. theta energy: -3.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 431 Temperature: 1.250000 Total energy: -33.453431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.453431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.453431 (E_RNA) where: Base-Base interactions energy: -12.994 where: short stacking energy: -12.994 Base-Backbone interact. energy: -0.000 local terms energy: -20.459187 where: bonds (distance) C4'-P energy: -4.789 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -3.787 flat angles P-C4'-P energy: -3.557 tors. eta vs tors. theta energy: -1.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 431 Temperature: 1.300000 Total energy: -31.955317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.955317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.955317 (E_RNA) where: Base-Base interactions energy: -8.664 where: short stacking energy: -8.664 Base-Backbone interact. energy: -0.024 local terms energy: -23.267117 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -6.457 flat angles C4'-P-C4' energy: -5.709 flat angles P-C4'-P energy: -4.625 tors. eta vs tors. theta energy: -1.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 431 Temperature: 1.350000 Total energy: -25.660301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.660301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.660301 (E_RNA) where: Base-Base interactions energy: -9.219 where: short stacking energy: -9.219 Base-Backbone interact. energy: -0.074 local terms energy: -16.366769 where: bonds (distance) C4'-P energy: -4.098 bonds (distance) P-C4' energy: -6.153 flat angles C4'-P-C4' energy: -1.660 flat angles P-C4'-P energy: -2.086 tors. eta vs tors. theta energy: -2.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 432 Temperature: 0.900000 Total energy: -39.206670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.206670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.206670 (E_RNA) where: Base-Base interactions energy: -15.724 where: short stacking energy: -15.724 Base-Backbone interact. energy: -0.029 local terms energy: -23.453965 where: bonds (distance) C4'-P energy: -5.589 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -5.247 flat angles P-C4'-P energy: -4.106 tors. eta vs tors. theta energy: -1.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 432 Temperature: 0.950000 Total energy: -42.587302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.587302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.587302 (E_RNA) where: Base-Base interactions energy: -14.825 where: short stacking energy: -14.825 Base-Backbone interact. energy: -0.000 local terms energy: -27.762516 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.923 flat angles P-C4'-P energy: -3.274 tors. eta vs tors. theta energy: -6.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 432 Temperature: 1.000000 Total energy: -40.458461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.458461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.458461 (E_RNA) where: Base-Base interactions energy: -12.821 where: short stacking energy: -12.821 Base-Backbone interact. energy: -0.050 local terms energy: -27.587505 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -5.516 flat angles P-C4'-P energy: -4.993 tors. eta vs tors. theta energy: -3.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 432 Temperature: 1.050000 Total energy: -35.570229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.570229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.570229 (E_RNA) where: Base-Base interactions energy: -11.227 where: short stacking energy: -11.227 Base-Backbone interact. energy: -0.001 local terms energy: -24.342257 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.107 flat angles C4'-P-C4' energy: -6.147 flat angles P-C4'-P energy: -3.227 tors. eta vs tors. theta energy: -2.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 432 Temperature: 1.100000 Total energy: -35.985059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.985059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.985059 (E_RNA) where: Base-Base interactions energy: -14.142 where: short stacking energy: -14.142 Base-Backbone interact. energy: -0.192 local terms energy: -21.650204 where: bonds (distance) C4'-P energy: -4.922 bonds (distance) P-C4' energy: -4.973 flat angles C4'-P-C4' energy: -4.882 flat angles P-C4'-P energy: -4.146 tors. eta vs tors. theta energy: -2.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 432 Temperature: 1.150000 Total energy: -34.980807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.980807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.980807 (E_RNA) where: Base-Base interactions energy: -12.589 where: short stacking energy: -12.589 Base-Backbone interact. energy: -0.009 local terms energy: -22.383180 where: bonds (distance) C4'-P energy: -5.191 bonds (distance) P-C4' energy: -6.181 flat angles C4'-P-C4' energy: -5.115 flat angles P-C4'-P energy: -3.792 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: 7, replica: 8 ===================================== Write number: 432 Temperature: 1.200000 Total energy: -31.937265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.937265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.937265 (E_RNA) where: Base-Base interactions energy: -13.466 where: short stacking energy: -13.466 Base-Backbone interact. energy: -0.001 local terms energy: -18.469473 where: bonds (distance) C4'-P energy: -4.587 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.923 flat angles P-C4'-P energy: -2.282 tors. eta vs tors. theta energy: 0.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 432 Temperature: 1.250000 Total energy: -29.451976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.451976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.451976 (E_RNA) where: Base-Base interactions energy: -10.053 where: short stacking energy: -10.053 Base-Backbone interact. energy: -0.013 local terms energy: -19.385554 where: bonds (distance) C4'-P energy: -3.689 bonds (distance) P-C4' energy: -4.413 flat angles C4'-P-C4' energy: -4.949 flat angles P-C4'-P energy: -4.600 tors. eta vs tors. theta energy: -1.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 432 Temperature: 1.300000 Total energy: -28.721621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.721621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.721621 (E_RNA) where: Base-Base interactions energy: -9.192 where: short stacking energy: -9.192 Base-Backbone interact. energy: -0.002 local terms energy: -19.527377 where: bonds (distance) C4'-P energy: -5.509 bonds (distance) P-C4' energy: -6.174 flat angles C4'-P-C4' energy: -4.455 flat angles P-C4'-P energy: -2.669 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: 10, replica: 7 ===================================== Write number: 432 Temperature: 1.350000 Total energy: -29.510299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.510299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.510299 (E_RNA) where: Base-Base interactions energy: -13.705 where: short stacking energy: -13.705 Base-Backbone interact. energy: -0.000 local terms energy: -15.805282 where: bonds (distance) C4'-P energy: -4.649 bonds (distance) P-C4' energy: -3.495 flat angles C4'-P-C4' energy: -4.490 flat angles P-C4'-P energy: -1.436 tors. eta vs tors. theta energy: -1.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 433 Temperature: 0.900000 Total energy: -39.834113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.834113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.834113 (E_RNA) where: Base-Base interactions energy: -17.247 where: short stacking energy: -17.247 Base-Backbone interact. energy: -0.001 local terms energy: -22.585951 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -4.230 flat angles C4'-P-C4' energy: -5.850 flat angles P-C4'-P energy: -4.488 tors. eta vs tors. theta energy: -2.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 433 Temperature: 0.950000 Total energy: -41.281479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.281479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.281479 (E_RNA) where: Base-Base interactions energy: -14.369 where: short stacking energy: -14.369 Base-Backbone interact. energy: -0.011 local terms energy: -26.901308 where: bonds (distance) C4'-P energy: -5.357 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -6.342 flat angles P-C4'-P energy: -4.530 tors. eta vs tors. theta energy: -3.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 433 Temperature: 1.000000 Total energy: -34.245428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.245428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.245428 (E_RNA) where: Base-Base interactions energy: -11.798 where: short stacking energy: -11.798 Base-Backbone interact. energy: -0.098 local terms energy: -22.349472 where: bonds (distance) C4'-P energy: -4.417 bonds (distance) P-C4' energy: -7.130 flat angles C4'-P-C4' energy: -3.858 flat angles P-C4'-P energy: -4.128 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: 4, replica: 9 ===================================== Write number: 433 Temperature: 1.050000 Total energy: -36.008134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.008134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.008134 (E_RNA) where: Base-Base interactions energy: -15.570 where: short stacking energy: -11.964 Base-Backbone interact. energy: -0.006 local terms energy: -20.432495 where: bonds (distance) C4'-P energy: -4.682 bonds (distance) P-C4' energy: -4.101 flat angles C4'-P-C4' energy: -3.042 flat angles P-C4'-P energy: -4.872 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: 1 ===================================== Write number: 433 Temperature: 1.100000 Total energy: -29.782538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.782538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.782538 (E_RNA) where: Base-Base interactions energy: -7.502 where: short stacking energy: -7.502 Base-Backbone interact. energy: -0.005 local terms energy: -22.275633 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -5.509 flat angles C4'-P-C4' energy: -3.487 flat angles P-C4'-P energy: -4.816 tors. eta vs tors. theta energy: -2.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 433 Temperature: 1.150000 Total energy: -39.238896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.238896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.238896 (E_RNA) where: Base-Base interactions energy: -16.462 where: short stacking energy: -16.462 Base-Backbone interact. energy: -0.008 local terms energy: -22.768512 where: bonds (distance) C4'-P energy: -5.401 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -5.317 flat angles P-C4'-P energy: -3.535 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: 7, replica: 4 ===================================== Write number: 433 Temperature: 1.200000 Total energy: -31.117806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.117806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.117806 (E_RNA) where: Base-Base interactions energy: -7.628 where: short stacking energy: -7.375 Base-Backbone interact. energy: -0.001 local terms energy: -23.489327 where: bonds (distance) C4'-P energy: -5.021 bonds (distance) P-C4' energy: -6.199 flat angles C4'-P-C4' energy: -4.579 flat angles P-C4'-P energy: -4.346 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: 8, replica: 6 ===================================== Write number: 433 Temperature: 1.250000 Total energy: -30.302338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.302338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.302338 (E_RNA) where: Base-Base interactions energy: -9.643 where: short stacking energy: -9.643 Base-Backbone interact. energy: -0.005 local terms energy: -20.654004 where: bonds (distance) C4'-P energy: -2.818 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -5.264 flat angles P-C4'-P energy: -4.403 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: 9, replica: 5 ===================================== Write number: 433 Temperature: 1.300000 Total energy: -32.121435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.121435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.121435 (E_RNA) where: Base-Base interactions energy: -10.868 where: short stacking energy: -10.868 Base-Backbone interact. energy: -0.000 local terms energy: -21.253545 where: bonds (distance) C4'-P energy: -2.951 bonds (distance) P-C4' energy: -5.339 flat angles C4'-P-C4' energy: -6.453 flat angles P-C4'-P energy: -3.913 tors. eta vs tors. theta energy: -2.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 433 Temperature: 1.350000 Total energy: -24.375087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.375087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.375087 (E_RNA) where: Base-Base interactions energy: -8.318 where: short stacking energy: -8.318 Base-Backbone interact. energy: -0.007 local terms energy: -16.050048 where: bonds (distance) C4'-P energy: -5.191 bonds (distance) P-C4' energy: -6.407 flat angles C4'-P-C4' energy: -2.721 flat angles P-C4'-P energy: -1.802 tors. eta vs tors. theta energy: 0.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 434 Temperature: 0.900000 Total energy: -43.858197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.858197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.858197 (E_RNA) where: Base-Base interactions energy: -17.145 where: short stacking energy: -17.145 Base-Backbone interact. energy: -0.000 local terms energy: -26.713552 where: bonds (distance) C4'-P energy: -6.105 bonds (distance) P-C4' energy: -6.177 flat angles C4'-P-C4' energy: -6.191 flat angles P-C4'-P energy: -2.865 tors. eta vs tors. theta energy: -5.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 434 Temperature: 0.950000 Total energy: -34.009914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.009914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.009914 (E_RNA) where: Base-Base interactions energy: -9.458 where: short stacking energy: -9.458 Base-Backbone interact. energy: -0.008 local terms energy: -24.544498 where: bonds (distance) C4'-P energy: -6.031 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -5.843 flat angles P-C4'-P energy: -3.742 tors. eta vs tors. theta energy: -2.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 434 Temperature: 1.000000 Total energy: -35.525662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.525662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.525662 (E_RNA) where: Base-Base interactions energy: -12.627 where: short stacking energy: -12.627 Base-Backbone interact. energy: -0.000 local terms energy: -22.898165 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -5.339 flat angles C4'-P-C4' energy: -5.019 flat angles P-C4'-P energy: -4.919 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: 4, replica: 10 ===================================== Write number: 434 Temperature: 1.050000 Total energy: -36.605065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.605065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.605065 (E_RNA) where: Base-Base interactions energy: -16.589 where: short stacking energy: -16.589 Base-Backbone interact. energy: -0.000 local terms energy: -20.016303 where: bonds (distance) C4'-P energy: -4.807 bonds (distance) P-C4' energy: -5.537 flat angles C4'-P-C4' energy: -4.598 flat angles P-C4'-P energy: -2.616 tors. eta vs tors. theta energy: -2.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 434 Temperature: 1.100000 Total energy: -35.306225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.306225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.306225 (E_RNA) where: Base-Base interactions energy: -13.192 where: short stacking energy: -13.192 Base-Backbone interact. energy: -0.003 local terms energy: -22.111270 where: bonds (distance) C4'-P energy: -5.427 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -5.135 flat angles P-C4'-P energy: -3.329 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: 6, replica: 1 ===================================== Write number: 434 Temperature: 1.150000 Total energy: -33.172100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.172100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.172100 (E_RNA) where: Base-Base interactions energy: -11.211 where: short stacking energy: -11.211 Base-Backbone interact. energy: -0.027 local terms energy: -21.934665 where: bonds (distance) C4'-P energy: -2.960 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -5.496 flat angles P-C4'-P energy: -3.957 tors. eta vs tors. theta energy: -2.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 434 Temperature: 1.200000 Total energy: -33.627791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.627791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.627791 (E_RNA) where: Base-Base interactions energy: -9.448 where: short stacking energy: -9.448 Base-Backbone interact. energy: -0.004 local terms energy: -24.175085 where: bonds (distance) C4'-P energy: -5.990 bonds (distance) P-C4' energy: -5.767 flat angles C4'-P-C4' energy: -5.108 flat angles P-C4'-P energy: -4.301 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: 8, replica: 4 ===================================== Write number: 434 Temperature: 1.250000 Total energy: -29.601999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.601999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.601999 (E_RNA) where: Base-Base interactions energy: -8.102 where: short stacking energy: -8.102 Base-Backbone interact. energy: -0.017 local terms energy: -21.482903 where: bonds (distance) C4'-P energy: -4.446 bonds (distance) P-C4' energy: -5.512 flat angles C4'-P-C4' energy: -6.009 flat angles P-C4'-P energy: -3.646 tors. eta vs tors. theta energy: -1.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 434 Temperature: 1.300000 Total energy: -28.203922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.203922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.203922 (E_RNA) where: Base-Base interactions energy: -9.801 where: short stacking energy: -9.801 Base-Backbone interact. energy: -0.000 local terms energy: -18.403195 where: bonds (distance) C4'-P energy: -4.897 bonds (distance) P-C4' energy: -4.920 flat angles C4'-P-C4' energy: -2.575 flat angles P-C4'-P energy: -4.636 tors. eta vs tors. theta energy: -1.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 434 Temperature: 1.350000 Total energy: -30.276111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.276111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.276111 (E_RNA) where: Base-Base interactions energy: -9.926 where: short stacking energy: -9.926 Base-Backbone interact. energy: -0.001 local terms energy: -20.349213 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -5.597 flat angles C4'-P-C4' energy: -3.535 flat angles P-C4'-P energy: -4.177 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: 1, replica: 2 ===================================== Write number: 435 Temperature: 0.900000 Total energy: -38.568414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.568414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.568414 (E_RNA) where: Base-Base interactions energy: -12.895 where: short stacking energy: -12.895 Base-Backbone interact. energy: -0.099 local terms energy: -25.573890 where: bonds (distance) C4'-P energy: -5.091 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -5.096 flat angles P-C4'-P energy: -5.259 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: 2, replica: 3 ===================================== Write number: 435 Temperature: 0.950000 Total energy: -36.507367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.507367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.507367 (E_RNA) where: Base-Base interactions energy: -13.461 where: short stacking energy: -13.461 Base-Backbone interact. energy: -0.001 local terms energy: -23.045516 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -3.699 flat angles C4'-P-C4' energy: -6.312 flat angles P-C4'-P energy: -3.862 tors. eta vs tors. theta energy: -3.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 435 Temperature: 1.000000 Total energy: -39.884292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.884292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.884292 (E_RNA) where: Base-Base interactions energy: -17.613 where: short stacking energy: -17.613 Base-Backbone interact. energy: -0.045 local terms energy: -22.226361 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -5.631 flat angles C4'-P-C4' energy: -5.830 flat angles P-C4'-P energy: -4.672 tors. eta vs tors. theta energy: -0.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 435 Temperature: 1.050000 Total energy: -38.271848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.271848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.271848 (E_RNA) where: Base-Base interactions energy: -12.117 where: short stacking energy: -12.117 Base-Backbone interact. energy: -0.000 local terms energy: -26.154366 where: bonds (distance) C4'-P energy: -5.411 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.766 flat angles P-C4'-P energy: -4.534 tors. eta vs tors. theta energy: -3.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 435 Temperature: 1.100000 Total energy: -33.549410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.549410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.549410 (E_RNA) where: Base-Base interactions energy: -9.103 where: short stacking energy: -9.103 Base-Backbone interact. energy: -0.071 local terms energy: -24.375738 where: bonds (distance) C4'-P energy: -5.882 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -4.986 flat angles P-C4'-P energy: -5.204 tors. eta vs tors. theta energy: -2.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 435 Temperature: 1.150000 Total energy: -37.531081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.531081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.531081 (E_RNA) where: Base-Base interactions energy: -14.867 where: short stacking energy: -14.867 Base-Backbone interact. energy: -0.068 local terms energy: -22.595906 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -6.118 flat angles C4'-P-C4' energy: -6.312 flat angles P-C4'-P energy: -2.889 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: 7, replica: 1 ===================================== Write number: 435 Temperature: 1.200000 Total energy: -33.059674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.059674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.059674 (E_RNA) where: Base-Base interactions energy: -13.283 where: short stacking energy: -13.283 Base-Backbone interact. energy: -0.283 local terms energy: -19.494278 where: bonds (distance) C4'-P energy: -3.671 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -3.709 flat angles P-C4'-P energy: -3.859 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: 8, replica: 4 ===================================== Write number: 435 Temperature: 1.250000 Total energy: -31.682615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.682615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.682615 (E_RNA) where: Base-Base interactions energy: -12.603 where: short stacking energy: -12.603 Base-Backbone interact. energy: -0.012 local terms energy: -19.067971 where: bonds (distance) C4'-P energy: -4.408 bonds (distance) P-C4' energy: -6.389 flat angles C4'-P-C4' energy: -3.584 flat angles P-C4'-P energy: -2.501 tors. eta vs tors. theta energy: -2.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 435 Temperature: 1.300000 Total energy: -30.553879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.553879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.553879 (E_RNA) where: Base-Base interactions energy: -11.562 where: short stacking energy: -11.562 Base-Backbone interact. energy: -0.040 local terms energy: -18.950910 where: bonds (distance) C4'-P energy: -4.089 bonds (distance) P-C4' energy: -4.684 flat angles C4'-P-C4' energy: -4.047 flat angles P-C4'-P energy: -4.998 tors. eta vs tors. theta energy: -1.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 435 Temperature: 1.350000 Total energy: -34.175716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.175716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.175716 (E_RNA) where: Base-Base interactions energy: -12.841 where: short stacking energy: -12.841 Base-Backbone interact. energy: -0.096 local terms energy: -21.239276 where: bonds (distance) C4'-P energy: -5.261 bonds (distance) P-C4' energy: -5.371 flat angles C4'-P-C4' energy: -6.175 flat angles P-C4'-P energy: -2.349 tors. eta vs tors. theta energy: -2.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 436 Temperature: 0.900000 Total energy: -40.113289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.113289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.113289 (E_RNA) where: Base-Base interactions energy: -17.425 where: short stacking energy: -17.425 Base-Backbone interact. energy: -0.065 local terms energy: -22.623660 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -7.144 flat angles C4'-P-C4' energy: -6.534 flat angles P-C4'-P energy: -3.344 tors. eta vs tors. theta energy: 0.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 436 Temperature: 0.950000 Total energy: -40.691443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.691443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.691443 (E_RNA) where: Base-Base interactions energy: -13.089 where: short stacking energy: -13.089 Base-Backbone interact. energy: -0.000 local terms energy: -27.602697 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -5.298 flat angles C4'-P-C4' energy: -5.200 flat angles P-C4'-P energy: -4.873 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: 3, replica: 8 ===================================== Write number: 436 Temperature: 1.000000 Total energy: -41.091851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.091851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.091851 (E_RNA) where: Base-Base interactions energy: -14.040 where: short stacking energy: -14.040 Base-Backbone interact. energy: -0.000 local terms energy: -27.052201 where: bonds (distance) C4'-P energy: -5.191 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -4.823 flat angles P-C4'-P energy: -3.733 tors. eta vs tors. theta energy: -6.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 436 Temperature: 1.050000 Total energy: -35.904948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.904948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.904948 (E_RNA) where: Base-Base interactions energy: -13.142 where: short stacking energy: -13.142 Base-Backbone interact. energy: -0.000 local terms energy: -22.762608 where: bonds (distance) C4'-P energy: -4.719 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -6.225 flat angles P-C4'-P energy: -4.092 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: 6 ===================================== Write number: 436 Temperature: 1.100000 Total energy: -38.827089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.827089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.827089 (E_RNA) where: Base-Base interactions energy: -13.665 where: short stacking energy: -13.665 Base-Backbone interact. energy: -0.001 local terms energy: -25.161261 where: bonds (distance) C4'-P energy: -4.905 bonds (distance) P-C4' energy: -6.460 flat angles C4'-P-C4' energy: -6.007 flat angles P-C4'-P energy: -5.439 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: 6, replica: 10 ===================================== Write number: 436 Temperature: 1.150000 Total energy: -36.465795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.465795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.465795 (E_RNA) where: Base-Base interactions energy: -12.474 where: short stacking energy: -12.474 Base-Backbone interact. energy: -0.285 local terms energy: -23.707359 where: bonds (distance) C4'-P energy: -3.167 bonds (distance) P-C4' energy: -5.438 flat angles C4'-P-C4' energy: -6.566 flat angles P-C4'-P energy: -3.727 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: 7, replica: 4 ===================================== Write number: 436 Temperature: 1.200000 Total energy: -31.493882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.493882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.493882 (E_RNA) where: Base-Base interactions energy: -8.381 where: short stacking energy: -8.381 Base-Backbone interact. energy: -0.000 local terms energy: -23.112532 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -5.041 flat angles P-C4'-P energy: -3.492 tors. eta vs tors. theta energy: -1.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 436 Temperature: 1.250000 Total energy: -30.558436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.558436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.558436 (E_RNA) where: Base-Base interactions energy: -11.770 where: short stacking energy: -11.770 Base-Backbone interact. energy: -0.024 local terms energy: -18.764317 where: bonds (distance) C4'-P energy: -2.516 bonds (distance) P-C4' energy: -5.830 flat angles C4'-P-C4' energy: -3.640 flat angles P-C4'-P energy: -3.729 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: 5 ===================================== Write number: 436 Temperature: 1.300000 Total energy: -30.982120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.982120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.982120 (E_RNA) where: Base-Base interactions energy: -8.284 where: short stacking energy: -8.284 Base-Backbone interact. energy: -0.000 local terms energy: -22.698288 where: bonds (distance) C4'-P energy: -5.659 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -2.223 flat angles P-C4'-P energy: -3.368 tors. eta vs tors. theta energy: -4.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 436 Temperature: 1.350000 Total energy: -28.359615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.359615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.359615 (E_RNA) where: Base-Base interactions energy: -10.996 where: short stacking energy: -10.996 Base-Backbone interact. energy: 1.309 local terms energy: -18.673035 where: bonds (distance) C4'-P energy: -5.368 bonds (distance) P-C4' energy: -5.594 flat angles C4'-P-C4' energy: -2.739 flat angles P-C4'-P energy: -4.008 tors. eta vs tors. theta energy: -0.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 437 Temperature: 0.900000 Total energy: -41.758214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.758214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.758214 (E_RNA) where: Base-Base interactions energy: -17.608 where: short stacking energy: -17.608 Base-Backbone interact. energy: -0.005 local terms energy: -24.145210 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -6.189 flat angles C4'-P-C4' energy: -4.445 flat angles P-C4'-P energy: -3.095 tors. eta vs tors. theta energy: -4.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 437 Temperature: 0.950000 Total energy: -37.175412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.175412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.175412 (E_RNA) where: Base-Base interactions energy: -11.309 where: short stacking energy: -11.309 Base-Backbone interact. energy: -0.018 local terms energy: -25.848111 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -5.173 flat angles P-C4'-P energy: -5.245 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: 3, replica: 2 ===================================== Write number: 437 Temperature: 1.000000 Total energy: -35.293297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.293297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.293297 (E_RNA) where: Base-Base interactions energy: -13.541 where: short stacking energy: -13.541 Base-Backbone interact. energy: -0.005 local terms energy: -21.747542 where: bonds (distance) C4'-P energy: -5.572 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -6.156 flat angles P-C4'-P energy: -0.233 tors. eta vs tors. theta energy: -2.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 437 Temperature: 1.050000 Total energy: -35.143944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.143944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.143944 (E_RNA) where: Base-Base interactions energy: -9.976 where: short stacking energy: -9.976 Base-Backbone interact. energy: -0.000 local terms energy: -25.168259 where: bonds (distance) C4'-P energy: -6.105 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.740 flat angles P-C4'-P energy: -4.876 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: 5, replica: 9 ===================================== Write number: 437 Temperature: 1.100000 Total energy: -31.155335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.155335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.155335 (E_RNA) where: Base-Base interactions energy: -8.914 where: short stacking energy: -8.914 Base-Backbone interact. energy: -0.097 local terms energy: -22.143813 where: bonds (distance) C4'-P energy: -5.075 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.252 flat angles P-C4'-P energy: -1.449 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: 6, replica: 4 ===================================== Write number: 437 Temperature: 1.150000 Total energy: -33.126989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.126989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.126989 (E_RNA) where: Base-Base interactions energy: -12.239 where: short stacking energy: -12.239 Base-Backbone interact. energy: -0.006 local terms energy: -20.881845 where: bonds (distance) C4'-P energy: -3.875 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -3.794 flat angles P-C4'-P energy: -3.772 tors. eta vs tors. theta energy: -3.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 437 Temperature: 1.200000 Total energy: -31.146071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.146071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.146071 (E_RNA) where: Base-Base interactions energy: -9.017 where: short stacking energy: -9.017 Base-Backbone interact. energy: -0.000 local terms energy: -22.129072 where: bonds (distance) C4'-P energy: -3.539 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -6.048 flat angles P-C4'-P energy: -2.393 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: 8, replica: 5 ===================================== Write number: 437 Temperature: 1.250000 Total energy: -30.348292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.348292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.348292 (E_RNA) where: Base-Base interactions energy: -8.394 where: short stacking energy: -8.394 Base-Backbone interact. energy: -0.052 local terms energy: -21.902418 where: bonds (distance) C4'-P energy: -5.608 bonds (distance) P-C4' energy: -4.614 flat angles C4'-P-C4' energy: -4.988 flat angles P-C4'-P energy: -3.285 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: 9, replica: 1 ===================================== Write number: 437 Temperature: 1.300000 Total energy: -29.225500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.225500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.225500 (E_RNA) where: Base-Base interactions energy: -11.723 where: short stacking energy: -11.723 Base-Backbone interact. energy: -0.014 local terms energy: -17.488753 where: bonds (distance) C4'-P energy: -5.091 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -3.143 flat angles P-C4'-P energy: -2.554 tors. eta vs tors. theta energy: -0.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 437 Temperature: 1.350000 Total energy: -28.465316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.465316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.465316 (E_RNA) where: Base-Base interactions energy: -8.830 where: short stacking energy: -8.830 Base-Backbone interact. energy: -0.104 local terms energy: -19.532085 where: bonds (distance) C4'-P energy: -5.128 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -5.742 flat angles P-C4'-P energy: -2.212 tors. eta vs tors. theta energy: 0.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 438 Temperature: 0.900000 Total energy: -41.229228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.229228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.229228 (E_RNA) where: Base-Base interactions energy: -15.269 where: short stacking energy: -15.269 Base-Backbone interact. energy: -0.000 local terms energy: -25.960140 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -5.773 flat angles P-C4'-P energy: -3.605 tors. eta vs tors. theta energy: -4.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 438 Temperature: 0.950000 Total energy: -39.496788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.496788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.496788 (E_RNA) where: Base-Base interactions energy: -13.748 where: short stacking energy: -13.748 Base-Backbone interact. energy: -0.000 local terms energy: -25.748467 where: bonds (distance) C4'-P energy: -5.866 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -5.502 flat angles P-C4'-P energy: -3.824 tors. eta vs tors. theta energy: -4.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 438 Temperature: 1.000000 Total energy: -36.745317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.745317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.745317 (E_RNA) where: Base-Base interactions energy: -13.186 where: short stacking energy: -13.186 Base-Backbone interact. energy: -0.000 local terms energy: -23.558887 where: bonds (distance) C4'-P energy: -5.071 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -5.256 flat angles P-C4'-P energy: -4.382 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: 4, replica: 2 ===================================== Write number: 438 Temperature: 1.050000 Total energy: -37.982560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.982560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.982560 (E_RNA) where: Base-Base interactions energy: -14.228 where: short stacking energy: -14.228 Base-Backbone interact. energy: -0.000 local terms energy: -23.754417 where: bonds (distance) C4'-P energy: -5.075 bonds (distance) P-C4' energy: -6.367 flat angles C4'-P-C4' energy: -6.415 flat angles P-C4'-P energy: -3.875 tors. eta vs tors. theta energy: -2.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 438 Temperature: 1.100000 Total energy: -34.805491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.805491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.805491 (E_RNA) where: Base-Base interactions energy: -14.176 where: short stacking energy: -14.176 Base-Backbone interact. energy: -0.035 local terms energy: -20.595119 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -6.118 flat angles C4'-P-C4' energy: -5.761 flat angles P-C4'-P energy: -2.494 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: 6, replica: 9 ===================================== Write number: 438 Temperature: 1.150000 Total energy: -39.101120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.101120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.101120 (E_RNA) where: Base-Base interactions energy: -13.842 where: short stacking energy: -13.842 Base-Backbone interact. energy: -0.002 local terms energy: -25.256745 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -6.460 flat angles C4'-P-C4' energy: -3.776 flat angles P-C4'-P energy: -4.393 tors. eta vs tors. theta energy: -5.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 438 Temperature: 1.200000 Total energy: -29.943720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.943720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.943720 (E_RNA) where: Base-Base interactions energy: -7.905 where: short stacking energy: -7.905 Base-Backbone interact. energy: -0.000 local terms energy: -22.038519 where: bonds (distance) C4'-P energy: -2.752 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -5.126 flat angles P-C4'-P energy: -5.562 tors. eta vs tors. theta energy: -1.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 438 Temperature: 1.250000 Total energy: -30.887355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.887355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.887355 (E_RNA) where: Base-Base interactions energy: -9.019 where: short stacking energy: -9.019 Base-Backbone interact. energy: -0.002 local terms energy: -21.866167 where: bonds (distance) C4'-P energy: -6.044 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -5.643 flat angles P-C4'-P energy: -3.796 tors. eta vs tors. theta energy: -0.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 438 Temperature: 1.300000 Total energy: -28.975231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.975231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.975231 (E_RNA) where: Base-Base interactions energy: -12.129 where: short stacking energy: -12.129 Base-Backbone interact. energy: -0.000 local terms energy: -16.845819 where: bonds (distance) C4'-P energy: -4.897 bonds (distance) P-C4' energy: -5.836 flat angles C4'-P-C4' energy: -3.229 flat angles P-C4'-P energy: -3.873 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: 10, replica: 1 ===================================== Write number: 438 Temperature: 1.350000 Total energy: -25.264448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.264448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.264448 (E_RNA) where: Base-Base interactions energy: -8.125 where: short stacking energy: -8.125 Base-Backbone interact. energy: -0.000 local terms energy: -17.139762 where: bonds (distance) C4'-P energy: -3.921 bonds (distance) P-C4' energy: -3.522 flat angles C4'-P-C4' energy: -3.718 flat angles P-C4'-P energy: -5.019 tors. eta vs tors. theta energy: -0.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 439 Temperature: 0.900000 Total energy: -36.854957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.854957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.854957 (E_RNA) where: Base-Base interactions energy: -14.810 where: short stacking energy: -14.810 Base-Backbone interact. energy: -0.000 local terms energy: -22.044804 where: bonds (distance) C4'-P energy: -4.781 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.479 flat angles P-C4'-P energy: -2.220 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: 3 ===================================== Write number: 439 Temperature: 0.950000 Total energy: -35.279554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.279554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.279554 (E_RNA) where: Base-Base interactions energy: -13.993 where: short stacking energy: -13.993 Base-Backbone interact. energy: -0.000 local terms energy: -21.286017 where: bonds (distance) C4'-P energy: -4.090 bonds (distance) P-C4' energy: -6.189 flat angles C4'-P-C4' energy: -4.673 flat angles P-C4'-P energy: -3.774 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: 3, replica: 6 ===================================== Write number: 439 Temperature: 1.000000 Total energy: -34.491647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.491647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.491647 (E_RNA) where: Base-Base interactions energy: -11.997 where: short stacking energy: -11.997 Base-Backbone interact. energy: -0.001 local terms energy: -22.493636 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -5.945 flat angles C4'-P-C4' energy: -4.487 flat angles P-C4'-P energy: -4.321 tors. eta vs tors. theta energy: -2.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 439 Temperature: 1.050000 Total energy: -36.356440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.356440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.356440 (E_RNA) where: Base-Base interactions energy: -9.945 where: short stacking energy: -9.945 Base-Backbone interact. energy: -0.029 local terms energy: -26.382593 where: bonds (distance) C4'-P energy: -5.750 bonds (distance) P-C4' energy: -5.699 flat angles C4'-P-C4' energy: -5.452 flat angles P-C4'-P energy: -4.991 tors. eta vs tors. theta energy: -4.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 439 Temperature: 1.100000 Total energy: -32.738237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.738237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.738237 (E_RNA) where: Base-Base interactions energy: -10.515 where: short stacking energy: -10.515 Base-Backbone interact. energy: -0.002 local terms energy: -22.220779 where: bonds (distance) C4'-P energy: -4.611 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -4.075 flat angles P-C4'-P energy: -5.046 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: 6, replica: 5 ===================================== Write number: 439 Temperature: 1.150000 Total energy: -34.459483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.459483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.459483 (E_RNA) where: Base-Base interactions energy: -10.245 where: short stacking energy: -10.245 Base-Backbone interact. energy: -0.000 local terms energy: -24.214055 where: bonds (distance) C4'-P energy: -3.949 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -5.198 flat angles P-C4'-P energy: -5.608 tors. eta vs tors. theta energy: -2.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 439 Temperature: 1.200000 Total energy: -34.929700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.929700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.929700 (E_RNA) where: Base-Base interactions energy: -12.286 where: short stacking energy: -12.286 Base-Backbone interact. energy: -0.000 local terms energy: -22.643207 where: bonds (distance) C4'-P energy: -4.106 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -6.535 flat angles P-C4'-P energy: -2.989 tors. eta vs tors. theta energy: -2.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 439 Temperature: 1.250000 Total energy: -31.667289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.667289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.667289 (E_RNA) where: Base-Base interactions energy: -8.667 where: short stacking energy: -8.667 Base-Backbone interact. energy: -0.086 local terms energy: -22.913916 where: bonds (distance) C4'-P energy: -5.659 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -6.587 flat angles P-C4'-P energy: -2.685 tors. eta vs tors. theta energy: -1.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 439 Temperature: 1.300000 Total energy: -32.532061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.532061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.532061 (E_RNA) where: Base-Base interactions energy: -12.610 where: short stacking energy: -12.610 Base-Backbone interact. energy: -0.002 local terms energy: -19.919779 where: bonds (distance) C4'-P energy: -6.098 bonds (distance) P-C4' energy: -5.767 flat angles C4'-P-C4' energy: -3.389 flat angles P-C4'-P energy: -2.230 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: 10, replica: 1 ===================================== Write number: 439 Temperature: 1.350000 Total energy: -30.738870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.738870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.738870 (E_RNA) where: Base-Base interactions energy: -8.539 where: short stacking energy: -8.539 Base-Backbone interact. energy: -0.029 local terms energy: -22.171242 where: bonds (distance) C4'-P energy: -5.104 bonds (distance) P-C4' energy: -6.432 flat angles C4'-P-C4' energy: -5.576 flat angles P-C4'-P energy: -4.350 tors. eta vs tors. theta energy: -0.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 440 Temperature: 0.900000 Total energy: -40.065862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.065862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.065862 (E_RNA) where: Base-Base interactions energy: -17.331 where: short stacking energy: -17.331 Base-Backbone interact. energy: -0.002 local terms energy: -22.732665 where: bonds (distance) C4'-P energy: -4.036 bonds (distance) P-C4' energy: -6.432 flat angles C4'-P-C4' energy: -5.675 flat angles P-C4'-P energy: -4.948 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: 2, replica: 3 ===================================== Write number: 440 Temperature: 0.950000 Total energy: -35.849598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.849598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.849598 (E_RNA) where: Base-Base interactions energy: -10.146 where: short stacking energy: -10.146 Base-Backbone interact. energy: -0.017 local terms energy: -25.685981 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.937 flat angles P-C4'-P energy: -4.309 tors. eta vs tors. theta energy: -2.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 440 Temperature: 1.000000 Total energy: -34.907591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.907591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.907591 (E_RNA) where: Base-Base interactions energy: -13.021 where: short stacking energy: -13.021 Base-Backbone interact. energy: -0.063 local terms energy: -21.823463 where: bonds (distance) C4'-P energy: -3.936 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -5.315 flat angles P-C4'-P energy: -4.056 tors. eta vs tors. theta energy: -2.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 440 Temperature: 1.050000 Total energy: -34.911267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.911267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.911267 (E_RNA) where: Base-Base interactions energy: -13.126 where: short stacking energy: -13.126 Base-Backbone interact. energy: -0.426 local terms energy: -21.359218 where: bonds (distance) C4'-P energy: -5.775 bonds (distance) P-C4' energy: -4.398 flat angles C4'-P-C4' energy: -5.248 flat angles P-C4'-P energy: -3.555 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: 5, replica: 5 ===================================== Write number: 440 Temperature: 1.100000 Total energy: -34.700288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.700288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.700288 (E_RNA) where: Base-Base interactions energy: -13.276 where: short stacking energy: -13.276 Base-Backbone interact. energy: -0.000 local terms energy: -21.424606 where: bonds (distance) C4'-P energy: -4.206 bonds (distance) P-C4' energy: -5.273 flat angles C4'-P-C4' energy: -4.836 flat angles P-C4'-P energy: -3.164 tors. eta vs tors. theta energy: -3.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 440 Temperature: 1.150000 Total energy: -30.891583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.891583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.891583 (E_RNA) where: Base-Base interactions energy: -11.604 where: short stacking energy: -11.604 Base-Backbone interact. energy: -0.001 local terms energy: -19.287058 where: bonds (distance) C4'-P energy: -4.931 bonds (distance) P-C4' energy: -4.654 flat angles C4'-P-C4' energy: -5.082 flat angles P-C4'-P energy: -1.566 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: 7, replica: 7 ===================================== Write number: 440 Temperature: 1.200000 Total energy: -31.633364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.633364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.633364 (E_RNA) where: Base-Base interactions energy: -10.288 where: short stacking energy: -10.288 Base-Backbone interact. energy: -0.000 local terms energy: -21.344709 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -5.420 flat angles C4'-P-C4' energy: -3.684 flat angles P-C4'-P energy: -5.269 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: 8, replica: 9 ===================================== Write number: 440 Temperature: 1.250000 Total energy: -30.471158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.471158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.471158 (E_RNA) where: Base-Base interactions energy: -9.613 where: short stacking energy: -8.021 Base-Backbone interact. energy: -0.013 local terms energy: -20.845485 where: bonds (distance) C4'-P energy: -4.334 bonds (distance) P-C4' energy: -5.298 flat angles C4'-P-C4' energy: -2.939 flat angles P-C4'-P energy: -3.758 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: 9, replica: 1 ===================================== Write number: 440 Temperature: 1.300000 Total energy: -31.750988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.750988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.750988 (E_RNA) where: Base-Base interactions energy: -11.460 where: short stacking energy: -12.660 Base-Backbone interact. energy: -0.093 local terms energy: -20.197170 where: bonds (distance) C4'-P energy: -4.789 bonds (distance) P-C4' energy: -6.122 flat angles C4'-P-C4' energy: -4.156 flat angles P-C4'-P energy: -4.150 tors. eta vs tors. theta energy: -0.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 440 Temperature: 1.350000 Total energy: -25.906662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.906662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.906662 (E_RNA) where: Base-Base interactions energy: -5.343 where: short stacking energy: -5.343 Base-Backbone interact. energy: -0.027 local terms energy: -20.536449 where: bonds (distance) C4'-P energy: -5.750 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -4.494 flat angles P-C4'-P energy: -4.257 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: 1, replica: 8 ===================================== Write number: 441 Temperature: 0.900000 Total energy: -38.633216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.633216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.633216 (E_RNA) where: Base-Base interactions energy: -14.936 where: short stacking energy: -14.936 Base-Backbone interact. energy: -0.003 local terms energy: -23.695093 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -3.708 flat angles P-C4'-P energy: -4.950 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: 2, replica: 6 ===================================== Write number: 441 Temperature: 0.950000 Total energy: -37.055202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.055202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.055202 (E_RNA) where: Base-Base interactions energy: -13.626 where: short stacking energy: -13.626 Base-Backbone interact. energy: -0.000 local terms energy: -23.429330 where: bonds (distance) C4'-P energy: -4.859 bonds (distance) P-C4' energy: -6.189 flat angles C4'-P-C4' energy: -5.819 flat angles P-C4'-P energy: -3.848 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: 3, replica: 3 ===================================== Write number: 441 Temperature: 1.000000 Total energy: -37.899299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.899299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.899299 (E_RNA) where: Base-Base interactions energy: -13.105 where: short stacking energy: -13.105 Base-Backbone interact. energy: -0.006 local terms energy: -24.787399 where: bonds (distance) C4'-P energy: -6.453 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -4.493 flat angles P-C4'-P energy: -3.384 tors. eta vs tors. theta energy: -4.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 441 Temperature: 1.050000 Total energy: -36.812227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.812227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.812227 (E_RNA) where: Base-Base interactions energy: -14.568 where: short stacking energy: -14.568 Base-Backbone interact. energy: -0.002 local terms energy: -22.242712 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -4.131 flat angles C4'-P-C4' energy: -5.995 flat angles P-C4'-P energy: -3.435 tors. eta vs tors. theta energy: -2.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 441 Temperature: 1.100000 Total energy: -35.389005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.389005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.389005 (E_RNA) where: Base-Base interactions energy: -13.695 where: short stacking energy: -13.695 Base-Backbone interact. energy: -0.000 local terms energy: -21.694184 where: bonds (distance) C4'-P energy: -5.315 bonds (distance) P-C4' energy: -4.917 flat angles C4'-P-C4' energy: -6.240 flat angles P-C4'-P energy: -1.657 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: 6, replica: 7 ===================================== Write number: 441 Temperature: 1.150000 Total energy: -33.318793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.318793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.318793 (E_RNA) where: Base-Base interactions energy: -11.372 where: short stacking energy: -11.372 Base-Backbone interact. energy: -0.000 local terms energy: -21.946311 where: bonds (distance) C4'-P energy: -2.686 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -5.983 flat angles P-C4'-P energy: -4.783 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: 7, replica: 2 ===================================== Write number: 441 Temperature: 1.200000 Total energy: -29.793356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.793356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.793356 (E_RNA) where: Base-Base interactions energy: -9.954 where: short stacking energy: -9.954 Base-Backbone interact. energy: -0.086 local terms energy: -19.753388 where: bonds (distance) C4'-P energy: -4.619 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -5.253 flat angles P-C4'-P energy: -2.853 tors. eta vs tors. theta energy: -0.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 441 Temperature: 1.250000 Total energy: -28.715175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.715175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.715175 (E_RNA) where: Base-Base interactions energy: -7.131 where: short stacking energy: -7.131 Base-Backbone interact. energy: -0.056 local terms energy: -21.527877 where: bonds (distance) C4'-P energy: -5.100 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -4.606 flat angles P-C4'-P energy: -3.316 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: 9, replica: 9 ===================================== Write number: 441 Temperature: 1.300000 Total energy: -28.672132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.672132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.672132 (E_RNA) where: Base-Base interactions energy: -9.611 where: short stacking energy: -9.611 Base-Backbone interact. energy: -0.016 local terms energy: -19.044588 where: bonds (distance) C4'-P energy: -4.462 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.260 flat angles P-C4'-P energy: -2.823 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: 10, replica: 10 ===================================== Write number: 441 Temperature: 1.350000 Total energy: -36.615245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.615245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.615245 (E_RNA) where: Base-Base interactions energy: -12.813 where: short stacking energy: -12.813 Base-Backbone interact. energy: -0.008 local terms energy: -23.795050 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -4.585 flat angles P-C4'-P energy: -5.060 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: 1, replica: 6 ===================================== Write number: 442 Temperature: 0.900000 Total energy: -39.113120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.113120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.113120 (E_RNA) where: Base-Base interactions energy: -13.112 where: short stacking energy: -13.112 Base-Backbone interact. energy: -0.005 local terms energy: -25.996069 where: bonds (distance) C4'-P energy: -5.137 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -4.767 flat angles P-C4'-P energy: -4.980 tors. eta vs tors. theta energy: -4.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 442 Temperature: 0.950000 Total energy: -36.549905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.549905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.549905 (E_RNA) where: Base-Base interactions energy: -12.674 where: short stacking energy: -12.674 Base-Backbone interact. energy: -0.003 local terms energy: -23.873554 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -5.548 flat angles P-C4'-P energy: -4.306 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: 3, replica: 5 ===================================== Write number: 442 Temperature: 1.000000 Total energy: -34.282911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.282911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.282911 (E_RNA) where: Base-Base interactions energy: -11.929 where: short stacking energy: -11.929 Base-Backbone interact. energy: -0.010 local terms energy: -22.343505 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.686 flat angles P-C4'-P energy: -1.567 tors. eta vs tors. theta energy: -2.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 442 Temperature: 1.050000 Total energy: -33.624356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.624356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.624356 (E_RNA) where: Base-Base interactions energy: -9.553 where: short stacking energy: -9.553 Base-Backbone interact. energy: -0.075 local terms energy: -23.996374 where: bonds (distance) C4'-P energy: -5.866 bonds (distance) P-C4' energy: -6.678 flat angles C4'-P-C4' energy: -4.477 flat angles P-C4'-P energy: -4.372 tors. eta vs tors. theta energy: -2.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 442 Temperature: 1.100000 Total energy: -32.897003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.897003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.897003 (E_RNA) where: Base-Base interactions energy: -12.308 where: short stacking energy: -12.308 Base-Backbone interact. energy: -0.084 local terms energy: -20.505167 where: bonds (distance) C4'-P energy: -4.471 bonds (distance) P-C4' energy: -5.466 flat angles C4'-P-C4' energy: -5.024 flat angles P-C4'-P energy: -3.695 tors. eta vs tors. theta energy: -1.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 442 Temperature: 1.150000 Total energy: -33.274425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.274425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.274425 (E_RNA) where: Base-Base interactions energy: -10.752 where: short stacking energy: -10.752 Base-Backbone interact. energy: -0.000 local terms energy: -22.522217 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -5.723 flat angles C4'-P-C4' energy: -5.731 flat angles P-C4'-P energy: -1.215 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: 7, replica: 2 ===================================== Write number: 442 Temperature: 1.200000 Total energy: -28.038774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.038774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.038774 (E_RNA) where: Base-Base interactions energy: -6.120 where: short stacking energy: -6.120 Base-Backbone interact. energy: -1.182 local terms energy: -20.737180 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -5.597 flat angles C4'-P-C4' energy: -5.519 flat angles P-C4'-P energy: -4.149 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: 1 ===================================== Write number: 442 Temperature: 1.250000 Total energy: -30.681717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.681717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.681717 (E_RNA) where: Base-Base interactions energy: -9.955 where: short stacking energy: -9.955 Base-Backbone interact. energy: -0.103 local terms energy: -20.624078 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -5.956 flat angles C4'-P-C4' energy: -6.552 flat angles P-C4'-P energy: 0.281 tors. eta vs tors. theta energy: -2.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 442 Temperature: 1.300000 Total energy: -33.706923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.706923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.706923 (E_RNA) where: Base-Base interactions energy: -12.776 where: short stacking energy: -12.776 Base-Backbone interact. energy: -0.001 local terms energy: -20.929816 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -5.723 flat angles C4'-P-C4' energy: -4.180 flat angles P-C4'-P energy: -1.358 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: 10, replica: 9 ===================================== Write number: 442 Temperature: 1.350000 Total energy: -31.021442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.021442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.021442 (E_RNA) where: Base-Base interactions energy: -10.844 where: short stacking energy: -10.844 Base-Backbone interact. energy: -0.003 local terms energy: -20.174349 where: bonds (distance) C4'-P energy: -5.199 bonds (distance) P-C4' energy: -6.653 flat angles C4'-P-C4' energy: -4.650 flat angles P-C4'-P energy: -1.854 tors. eta vs tors. theta energy: -1.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 443 Temperature: 0.900000 Total energy: -38.662548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.662548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.662548 (E_RNA) where: Base-Base interactions energy: -14.228 where: short stacking energy: -14.228 Base-Backbone interact. energy: -0.000 local terms energy: -24.434702 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -5.438 flat angles C4'-P-C4' energy: -5.416 flat angles P-C4'-P energy: -3.718 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: 2, replica: 5 ===================================== Write number: 443 Temperature: 0.950000 Total energy: -35.208943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.208943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.208943 (E_RNA) where: Base-Base interactions energy: -10.492 where: short stacking energy: -10.492 Base-Backbone interact. energy: -0.018 local terms energy: -24.699417 where: bonds (distance) C4'-P energy: -4.756 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -3.969 flat angles P-C4'-P energy: -5.167 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: 3, replica: 8 ===================================== Write number: 443 Temperature: 1.000000 Total energy: -32.735506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.735506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.735506 (E_RNA) where: Base-Base interactions energy: -11.016 where: short stacking energy: -11.016 Base-Backbone interact. energy: -0.015 local terms energy: -21.705029 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -5.945 flat angles C4'-P-C4' energy: -5.418 flat angles P-C4'-P energy: -2.945 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: 4, replica: 7 ===================================== Write number: 443 Temperature: 1.050000 Total energy: -38.183980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.183980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.183980 (E_RNA) where: Base-Base interactions energy: -17.379 where: short stacking energy: -17.379 Base-Backbone interact. energy: -0.007 local terms energy: -20.798022 where: bonds (distance) C4'-P energy: -5.315 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -5.511 flat angles P-C4'-P energy: -2.470 tors. eta vs tors. theta energy: -0.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 443 Temperature: 1.100000 Total energy: -34.397178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.397178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.397178 (E_RNA) where: Base-Base interactions energy: -12.852 where: short stacking energy: -12.852 Base-Backbone interact. energy: -0.045 local terms energy: -21.500146 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -4.510 flat angles P-C4'-P energy: -3.989 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: 6, replica: 2 ===================================== Write number: 443 Temperature: 1.150000 Total energy: -33.108513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.108513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.108513 (E_RNA) where: Base-Base interactions energy: -12.642 where: short stacking energy: -12.642 Base-Backbone interact. energy: -0.000 local terms energy: -20.466654 where: bonds (distance) C4'-P energy: -3.725 bonds (distance) P-C4' energy: -5.273 flat angles C4'-P-C4' energy: -5.851 flat angles P-C4'-P energy: -4.221 tors. eta vs tors. theta energy: -1.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 443 Temperature: 1.200000 Total energy: -35.960668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.960668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.960668 (E_RNA) where: Base-Base interactions energy: -12.095 where: short stacking energy: -12.095 Base-Backbone interact. energy: -0.000 local terms energy: -23.865906 where: bonds (distance) C4'-P energy: -4.755 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.708 flat angles P-C4'-P energy: -3.936 tors. eta vs tors. theta energy: -3.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 443 Temperature: 1.250000 Total energy: -35.710298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.710298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.710298 (E_RNA) where: Base-Base interactions energy: -12.369 where: short stacking energy: -12.369 Base-Backbone interact. energy: -0.090 local terms energy: -23.250642 where: bonds (distance) C4'-P energy: -5.998 bonds (distance) P-C4' energy: -5.103 flat angles C4'-P-C4' energy: -6.136 flat angles P-C4'-P energy: -3.314 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: 9, replica: 1 ===================================== Write number: 443 Temperature: 1.300000 Total energy: -31.545031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.545031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.545031 (E_RNA) where: Base-Base interactions energy: -11.822 where: short stacking energy: -11.822 Base-Backbone interact. energy: -0.017 local terms energy: -19.706348 where: bonds (distance) C4'-P energy: -4.284 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -5.310 flat angles P-C4'-P energy: -4.403 tors. eta vs tors. theta energy: 0.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 443 Temperature: 1.350000 Total energy: -32.168459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.168459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.168459 (E_RNA) where: Base-Base interactions energy: -9.949 where: short stacking energy: -9.949 Base-Backbone interact. energy: -0.694 local terms energy: -21.525346 where: bonds (distance) C4'-P energy: -5.207 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -3.941 flat angles P-C4'-P energy: -3.945 tors. eta vs tors. theta energy: -2.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 444 Temperature: 0.900000 Total energy: -41.137935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.137935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.137935 (E_RNA) where: Base-Base interactions energy: -13.854 where: short stacking energy: -13.854 Base-Backbone interact. energy: -0.004 local terms energy: -27.280337 where: bonds (distance) C4'-P energy: -5.137 bonds (distance) P-C4' energy: -6.442 flat angles C4'-P-C4' energy: -5.782 flat angles P-C4'-P energy: -3.941 tors. eta vs tors. theta energy: -5.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 444 Temperature: 0.950000 Total energy: -40.484734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.484734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.484734 (E_RNA) where: Base-Base interactions energy: -12.779 where: short stacking energy: -12.779 Base-Backbone interact. energy: -0.000 local terms energy: -27.705537 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -4.883 flat angles P-C4'-P energy: -4.690 tors. eta vs tors. theta energy: -5.235 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: 7 ===================================== Write number: 444 Temperature: 1.000000 Total energy: -34.270985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.270985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.270985 (E_RNA) where: Base-Base interactions energy: -12.787 where: short stacking energy: -12.787 Base-Backbone interact. energy: -0.000 local terms energy: -21.483864 where: bonds (distance) C4'-P energy: -3.315 bonds (distance) P-C4' energy: -5.534 flat angles C4'-P-C4' energy: -3.855 flat angles P-C4'-P energy: -3.696 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: 4, replica: 8 ===================================== Write number: 444 Temperature: 1.050000 Total energy: -37.580399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.580399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.580399 (E_RNA) where: Base-Base interactions energy: -13.607 where: short stacking energy: -13.607 Base-Backbone interact. energy: -0.000 local terms energy: -23.972743 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -4.856 flat angles P-C4'-P energy: -4.075 tors. eta vs tors. theta energy: -3.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 444 Temperature: 1.100000 Total energy: -32.588872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.588872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.588872 (E_RNA) where: Base-Base interactions energy: -8.967 where: short stacking energy: -8.967 Base-Backbone interact. energy: -0.066 local terms energy: -23.556176 where: bonds (distance) C4'-P energy: -5.721 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.818 flat angles P-C4'-P energy: -4.155 tors. eta vs tors. theta energy: -0.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 444 Temperature: 1.150000 Total energy: -33.638852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.638852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.638852 (E_RNA) where: Base-Base interactions energy: -13.072 where: short stacking energy: -13.072 Base-Backbone interact. energy: -0.001 local terms energy: -20.566351 where: bonds (distance) C4'-P energy: -5.161 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -5.705 flat angles P-C4'-P energy: -2.264 tors. eta vs tors. theta energy: -1.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 444 Temperature: 1.200000 Total energy: -32.426078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.426078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.426078 (E_RNA) where: Base-Base interactions energy: -12.300 where: short stacking energy: -12.300 Base-Backbone interact. energy: -0.002 local terms energy: -20.123748 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -5.537 flat angles C4'-P-C4' energy: -3.851 flat angles P-C4'-P energy: -2.835 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: 8, replica: 4 ===================================== Write number: 444 Temperature: 1.250000 Total energy: -30.968419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.968419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.968419 (E_RNA) where: Base-Base interactions energy: -12.784 where: short stacking energy: -12.784 Base-Backbone interact. energy: -0.076 local terms energy: -18.108434 where: bonds (distance) C4'-P energy: -4.985 bonds (distance) P-C4' energy: -5.057 flat angles C4'-P-C4' energy: -4.903 flat angles P-C4'-P energy: -3.338 tors. eta vs tors. theta energy: 0.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 444 Temperature: 1.300000 Total energy: -29.616889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.616889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.616889 (E_RNA) where: Base-Base interactions energy: -7.787 where: short stacking energy: -7.787 Base-Backbone interact. energy: -0.139 local terms energy: -21.690208 where: bonds (distance) C4'-P energy: -5.600 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -4.129 flat angles P-C4'-P energy: -3.888 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: 1 ===================================== Write number: 444 Temperature: 1.350000 Total energy: -32.477276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.477276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.477276 (E_RNA) where: Base-Base interactions energy: -11.155 where: short stacking energy: -11.155 Base-Backbone interact. energy: 0.228 local terms energy: -21.550500 where: bonds (distance) C4'-P energy: -5.456 bonds (distance) P-C4' energy: -5.343 flat angles C4'-P-C4' energy: -4.843 flat angles P-C4'-P energy: -1.834 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: 1, replica: 6 ===================================== Write number: 445 Temperature: 0.900000 Total energy: -38.994283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.994283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.994283 (E_RNA) where: Base-Base interactions energy: -14.878 where: short stacking energy: -14.878 Base-Backbone interact. energy: -0.003 local terms energy: -24.113925 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -5.861 flat angles C4'-P-C4' energy: -5.081 flat angles P-C4'-P energy: -4.526 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: 2, replica: 7 ===================================== Write number: 445 Temperature: 0.950000 Total energy: -41.785380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.785380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.785380 (E_RNA) where: Base-Base interactions energy: -13.664 where: short stacking energy: -13.664 Base-Backbone interact. energy: -0.010 local terms energy: -28.111370 where: bonds (distance) C4'-P energy: -5.456 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -5.724 flat angles P-C4'-P energy: -4.869 tors. eta vs tors. theta energy: -5.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 445 Temperature: 1.000000 Total energy: -38.443113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.443113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.443113 (E_RNA) where: Base-Base interactions energy: -14.653 where: short stacking energy: -14.653 Base-Backbone interact. energy: -0.000 local terms energy: -23.790154 where: bonds (distance) C4'-P energy: -5.535 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -3.615 flat angles P-C4'-P energy: -2.737 tors. eta vs tors. theta energy: -5.260 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: 2 ===================================== Write number: 445 Temperature: 1.050000 Total energy: -36.650268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.650268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.650268 (E_RNA) where: Base-Base interactions energy: -12.934 where: short stacking energy: -12.934 Base-Backbone interact. energy: -0.026 local terms energy: -23.690164 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -5.283 flat angles P-C4'-P energy: -4.270 tors. eta vs tors. theta energy: -1.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 445 Temperature: 1.100000 Total energy: -33.486721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.486721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.486721 (E_RNA) where: Base-Base interactions energy: -14.497 where: short stacking energy: -14.497 Base-Backbone interact. energy: 0.918 local terms energy: -19.908214 where: bonds (distance) C4'-P energy: -5.518 bonds (distance) P-C4' energy: -3.775 flat angles C4'-P-C4' energy: -4.951 flat angles P-C4'-P energy: -3.185 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: 10 ===================================== Write number: 445 Temperature: 1.150000 Total energy: -34.689816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.689816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.689816 (E_RNA) where: Base-Base interactions energy: -9.713 where: short stacking energy: -9.713 Base-Backbone interact. energy: -0.000 local terms energy: -24.976803 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -6.873 flat angles C4'-P-C4' energy: -6.750 flat angles P-C4'-P energy: -2.219 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: 7, replica: 3 ===================================== Write number: 445 Temperature: 1.200000 Total energy: -36.806485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.806485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.806485 (E_RNA) where: Base-Base interactions energy: -13.029 where: short stacking energy: -13.029 Base-Backbone interact. energy: -0.064 local terms energy: -23.713627 where: bonds (distance) C4'-P energy: -6.577 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -5.591 flat angles P-C4'-P energy: -3.732 tors. eta vs tors. theta energy: -1.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 445 Temperature: 1.250000 Total energy: -31.792691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.792691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.792691 (E_RNA) where: Base-Base interactions energy: -13.325 where: short stacking energy: -13.325 Base-Backbone interact. energy: -0.002 local terms energy: -18.466257 where: bonds (distance) C4'-P energy: -5.163 bonds (distance) P-C4' energy: -6.364 flat angles C4'-P-C4' energy: -2.543 flat angles P-C4'-P energy: -2.828 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: 9, replica: 4 ===================================== Write number: 445 Temperature: 1.300000 Total energy: -31.055585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.055585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.055585 (E_RNA) where: Base-Base interactions energy: -9.865 where: short stacking energy: -9.865 Base-Backbone interact. energy: -0.001 local terms energy: -21.189951 where: bonds (distance) C4'-P energy: -4.719 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -4.349 flat angles P-C4'-P energy: -3.775 tors. eta vs tors. theta energy: -1.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 445 Temperature: 1.350000 Total energy: -27.397237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.397237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.397237 (E_RNA) where: Base-Base interactions energy: -8.394 where: short stacking energy: -8.394 Base-Backbone interact. energy: -0.014 local terms energy: -18.989407 where: bonds (distance) C4'-P energy: -4.135 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -5.608 flat angles P-C4'-P energy: -3.102 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: 1, replica: 7 ===================================== Write number: 446 Temperature: 0.900000 Total energy: -37.877713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.877713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.877713 (E_RNA) where: Base-Base interactions energy: -13.729 where: short stacking energy: -13.729 Base-Backbone interact. energy: -0.000 local terms energy: -24.148228 where: bonds (distance) C4'-P energy: -4.214 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -6.052 flat angles P-C4'-P energy: -4.864 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: 2, replica: 6 ===================================== Write number: 446 Temperature: 0.950000 Total energy: -40.012466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.012466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.012466 (E_RNA) where: Base-Base interactions energy: -14.026 where: short stacking energy: -14.026 Base-Backbone interact. energy: -0.000 local terms energy: -25.986087 where: bonds (distance) C4'-P energy: -5.419 bonds (distance) P-C4' energy: -5.956 flat angles C4'-P-C4' energy: -5.222 flat angles P-C4'-P energy: -4.541 tors. eta vs tors. theta energy: -4.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 446 Temperature: 1.000000 Total energy: -39.158544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.158544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.158544 (E_RNA) where: Base-Base interactions energy: -15.567 where: short stacking energy: -15.567 Base-Backbone interact. energy: -0.000 local terms energy: -23.591315 where: bonds (distance) C4'-P energy: -5.419 bonds (distance) P-C4' energy: -5.103 flat angles C4'-P-C4' energy: -4.980 flat angles P-C4'-P energy: -3.439 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: 4, replica: 5 ===================================== Write number: 446 Temperature: 1.050000 Total energy: -37.127031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.127031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.127031 (E_RNA) where: Base-Base interactions energy: -12.300 where: short stacking energy: -12.300 Base-Backbone interact. energy: -0.001 local terms energy: -24.825753 where: bonds (distance) C4'-P energy: -4.905 bonds (distance) P-C4' energy: -5.537 flat angles C4'-P-C4' energy: -4.848 flat angles P-C4'-P energy: -5.600 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: 5, replica: 10 ===================================== Write number: 446 Temperature: 1.100000 Total energy: -36.812423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.812423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.812423 (E_RNA) where: Base-Base interactions energy: -16.753 where: short stacking energy: -16.753 Base-Backbone interact. energy: -0.014 local terms energy: -20.045736 where: bonds (distance) C4'-P energy: -0.314 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -4.737 flat angles P-C4'-P energy: -4.467 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: 6, replica: 8 ===================================== Write number: 446 Temperature: 1.150000 Total energy: -30.986618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.986618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.986618 (E_RNA) where: Base-Base interactions energy: -8.586 where: short stacking energy: -8.586 Base-Backbone interact. energy: -0.002 local terms energy: -22.397834 where: bonds (distance) C4'-P energy: -4.197 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -6.342 flat angles P-C4'-P energy: -3.753 tors. eta vs tors. theta energy: -1.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 446 Temperature: 1.200000 Total energy: -34.735067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.735067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.735067 (E_RNA) where: Base-Base interactions energy: -13.212 where: short stacking energy: -13.212 Base-Backbone interact. energy: -0.016 local terms energy: -21.507178 where: bonds (distance) C4'-P energy: -6.246 bonds (distance) P-C4' energy: -4.275 flat angles C4'-P-C4' energy: -5.460 flat angles P-C4'-P energy: -2.563 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: 8, replica: 9 ===================================== Write number: 446 Temperature: 1.250000 Total energy: -29.166367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.166367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.166367 (E_RNA) where: Base-Base interactions energy: -8.675 where: short stacking energy: -8.675 Base-Backbone interact. energy: -0.002 local terms energy: -20.488809 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -5.491 flat angles C4'-P-C4' energy: -4.464 flat angles P-C4'-P energy: -5.224 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: 9, replica: 1 ===================================== Write number: 446 Temperature: 1.300000 Total energy: -33.408052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.408052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.408052 (E_RNA) where: Base-Base interactions energy: -9.961 where: short stacking energy: -9.961 Base-Backbone interact. energy: -0.000 local terms energy: -23.446772 where: bonds (distance) C4'-P energy: -6.354 bonds (distance) P-C4' energy: -5.276 flat angles C4'-P-C4' energy: -4.625 flat angles P-C4'-P energy: -2.393 tors. eta vs tors. theta energy: -4.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 446 Temperature: 1.350000 Total energy: -27.877786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.877786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.877786 (E_RNA) where: Base-Base interactions energy: -7.936 where: short stacking energy: -7.936 Base-Backbone interact. energy: -0.000 local terms energy: -19.941742 where: bonds (distance) C4'-P energy: -4.639 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -6.050 flat angles P-C4'-P energy: -2.073 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: 1, replica: 7 ===================================== Write number: 447 Temperature: 0.900000 Total energy: -39.022413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.022413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.022413 (E_RNA) where: Base-Base interactions energy: -11.623 where: short stacking energy: -11.623 Base-Backbone interact. energy: -0.068 local terms energy: -27.331021 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -5.022 flat angles P-C4'-P energy: -5.069 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: 2 ===================================== Write number: 447 Temperature: 0.950000 Total energy: -34.012896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.012896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.012896 (E_RNA) where: Base-Base interactions energy: -12.494 where: short stacking energy: -12.494 Base-Backbone interact. energy: -0.065 local terms energy: -21.454287 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -5.833 flat angles C4'-P-C4' energy: -4.682 flat angles P-C4'-P energy: -4.421 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: 3, replica: 6 ===================================== Write number: 447 Temperature: 1.000000 Total energy: -38.795781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.795781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.795781 (E_RNA) where: Base-Base interactions energy: -10.132 where: short stacking energy: -10.132 Base-Backbone interact. energy: -0.003 local terms energy: -28.660585 where: bonds (distance) C4'-P energy: -5.766 bonds (distance) P-C4' energy: -7.144 flat angles C4'-P-C4' energy: -6.311 flat angles P-C4'-P energy: -4.925 tors. eta vs tors. theta energy: -4.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 447 Temperature: 1.050000 Total energy: -36.038395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.038395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.038395 (E_RNA) where: Base-Base interactions energy: -16.311 where: short stacking energy: -16.311 Base-Backbone interact. energy: -0.042 local terms energy: -19.685774 where: bonds (distance) C4'-P energy: -3.937 bonds (distance) P-C4' energy: -5.973 flat angles C4'-P-C4' energy: -6.060 flat angles P-C4'-P energy: -2.174 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: 5, replica: 5 ===================================== Write number: 447 Temperature: 1.100000 Total energy: -38.284946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.284946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.284946 (E_RNA) where: Base-Base interactions energy: -16.568 where: short stacking energy: -16.568 Base-Backbone interact. energy: -0.012 local terms energy: -21.704188 where: bonds (distance) C4'-P energy: -6.060 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -2.412 flat angles P-C4'-P energy: -3.939 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: 6, replica: 3 ===================================== Write number: 447 Temperature: 1.150000 Total energy: -36.049985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.049985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.049985 (E_RNA) where: Base-Base interactions energy: -11.927 where: short stacking energy: -11.927 Base-Backbone interact. energy: -0.000 local terms energy: -24.122637 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -4.745 flat angles C4'-P-C4' energy: -5.294 flat angles P-C4'-P energy: -3.894 tors. eta vs tors. theta energy: -3.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 447 Temperature: 1.200000 Total energy: -31.142376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.142376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.142376 (E_RNA) where: Base-Base interactions energy: -9.294 where: short stacking energy: -9.294 Base-Backbone interact. energy: -0.723 local terms energy: -21.125215 where: bonds (distance) C4'-P energy: -5.527 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -4.364 flat angles P-C4'-P energy: -4.790 tors. eta vs tors. theta energy: 0.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 447 Temperature: 1.250000 Total energy: -35.743370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.743370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.743370 (E_RNA) where: Base-Base interactions energy: -13.855 where: short stacking energy: -13.855 Base-Backbone interact. energy: -0.098 local terms energy: -21.790422 where: bonds (distance) C4'-P energy: -3.120 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -4.024 flat angles P-C4'-P energy: -3.449 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: 9, replica: 9 ===================================== Write number: 447 Temperature: 1.300000 Total energy: -31.987193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.987193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.987193 (E_RNA) where: Base-Base interactions energy: -11.982 where: short stacking energy: -11.982 Base-Backbone interact. energy: -0.000 local terms energy: -20.004714 where: bonds (distance) C4'-P energy: -2.719 bonds (distance) P-C4' energy: -5.146 flat angles C4'-P-C4' energy: -5.197 flat angles P-C4'-P energy: -2.989 tors. eta vs tors. theta energy: -3.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 447 Temperature: 1.350000 Total energy: -30.314842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.314842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.314842 (E_RNA) where: Base-Base interactions energy: -10.405 where: short stacking energy: -10.405 Base-Backbone interact. energy: -0.002 local terms energy: -19.908298 where: bonds (distance) C4'-P energy: -5.125 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -5.071 flat angles P-C4'-P energy: -3.909 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: 1, replica: 2 ===================================== Write number: 448 Temperature: 0.900000 Total energy: -39.794429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.794429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.794429 (E_RNA) where: Base-Base interactions energy: -14.087 where: short stacking energy: -14.087 Base-Backbone interact. energy: -0.032 local terms energy: -25.675462 where: bonds (distance) C4'-P energy: -4.454 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -5.122 flat angles P-C4'-P energy: -4.743 tors. eta vs tors. theta energy: -4.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 448 Temperature: 0.950000 Total energy: -35.040754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.040754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.040754 (E_RNA) where: Base-Base interactions energy: -12.800 where: short stacking energy: -12.800 Base-Backbone interact. energy: -0.007 local terms energy: -22.233790 where: bonds (distance) C4'-P energy: -4.781 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -6.480 flat angles P-C4'-P energy: -0.888 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: 3, replica: 10 ===================================== Write number: 448 Temperature: 1.000000 Total energy: -40.337033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.337033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.337033 (E_RNA) where: Base-Base interactions energy: -13.528 where: short stacking energy: -13.528 Base-Backbone interact. energy: -0.000 local terms energy: -26.809259 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -5.833 flat angles C4'-P-C4' energy: -4.521 flat angles P-C4'-P energy: -5.266 tors. eta vs tors. theta energy: -4.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 448 Temperature: 1.050000 Total energy: -34.326271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.326271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.326271 (E_RNA) where: Base-Base interactions energy: -10.947 where: short stacking energy: -10.947 Base-Backbone interact. energy: -0.007 local terms energy: -23.372683 where: bonds (distance) C4'-P energy: -6.354 bonds (distance) P-C4' energy: -6.351 flat angles C4'-P-C4' energy: -6.169 flat angles P-C4'-P energy: -3.669 tors. eta vs tors. theta energy: -0.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 448 Temperature: 1.100000 Total energy: -38.390716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.390716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.390716 (E_RNA) where: Base-Base interactions energy: -12.759 where: short stacking energy: -12.759 Base-Backbone interact. energy: -0.006 local terms energy: -25.625525 where: bonds (distance) C4'-P energy: -5.422 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -4.769 flat angles P-C4'-P energy: -5.041 tors. eta vs tors. theta energy: -3.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 448 Temperature: 1.150000 Total energy: -35.242639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.242639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.242639 (E_RNA) where: Base-Base interactions energy: -12.565 where: short stacking energy: -12.565 Base-Backbone interact. energy: -0.000 local terms energy: -22.677420 where: bonds (distance) C4'-P energy: -4.690 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -3.914 flat angles P-C4'-P energy: -3.910 tors. eta vs tors. theta energy: -3.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 448 Temperature: 1.200000 Total energy: -30.721910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.721910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.721910 (E_RNA) where: Base-Base interactions energy: -9.564 where: short stacking energy: -9.564 Base-Backbone interact. energy: -0.038 local terms energy: -21.119453 where: bonds (distance) C4'-P energy: -5.075 bonds (distance) P-C4' energy: -6.457 flat angles C4'-P-C4' energy: -5.130 flat angles P-C4'-P energy: -4.538 tors. eta vs tors. theta energy: 0.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 448 Temperature: 1.250000 Total energy: -31.676316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.676316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.676316 (E_RNA) where: Base-Base interactions energy: -12.322 where: short stacking energy: -12.322 Base-Backbone interact. energy: -0.169 local terms energy: -19.186026 where: bonds (distance) C4'-P energy: -5.608 bonds (distance) P-C4' energy: -5.051 flat angles C4'-P-C4' energy: -1.602 flat angles P-C4'-P energy: -4.311 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: 4 ===================================== Write number: 448 Temperature: 1.300000 Total energy: -28.189594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.189594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.189594 (E_RNA) where: Base-Base interactions energy: -7.915 where: short stacking energy: -7.915 Base-Backbone interact. energy: -0.007 local terms energy: -20.267301 where: bonds (distance) C4'-P energy: -3.353 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -6.031 flat angles P-C4'-P energy: -4.849 tors. eta vs tors. theta energy: -0.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 448 Temperature: 1.350000 Total energy: -33.814746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.814746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.814746 (E_RNA) where: Base-Base interactions energy: -12.063 where: short stacking energy: -12.063 Base-Backbone interact. energy: -0.179 local terms energy: -21.572437 where: bonds (distance) C4'-P energy: -4.040 bonds (distance) P-C4' energy: -6.389 flat angles C4'-P-C4' energy: -6.009 flat angles P-C4'-P energy: -2.757 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: 1, replica: 2 ===================================== Write number: 449 Temperature: 0.900000 Total energy: -40.549386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.549386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.549386 (E_RNA) where: Base-Base interactions energy: -14.023 where: short stacking energy: -14.023 Base-Backbone interact. energy: -0.000 local terms energy: -26.526287 where: bonds (distance) C4'-P energy: -4.951 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -6.060 flat angles P-C4'-P energy: -4.793 tors. eta vs tors. theta energy: -4.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 449 Temperature: 0.950000 Total energy: -36.027173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.027173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.027173 (E_RNA) where: Base-Base interactions energy: -14.419 where: short stacking energy: -14.419 Base-Backbone interact. energy: -0.098 local terms energy: -21.510235 where: bonds (distance) C4'-P energy: -4.735 bonds (distance) P-C4' energy: -5.146 flat angles C4'-P-C4' energy: -4.961 flat angles P-C4'-P energy: -2.547 tors. eta vs tors. theta energy: -4.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 449 Temperature: 1.000000 Total energy: -33.816299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.816299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.816299 (E_RNA) where: Base-Base interactions energy: -9.672 where: short stacking energy: -9.672 Base-Backbone interact. energy: 0.551 local terms energy: -24.695454 where: bonds (distance) C4'-P energy: -6.006 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -6.116 flat angles P-C4'-P energy: -4.576 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: 4, replica: 5 ===================================== Write number: 449 Temperature: 1.050000 Total energy: -36.672019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.672019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.672019 (E_RNA) where: Base-Base interactions energy: -12.447 where: short stacking energy: -12.447 Base-Backbone interact. energy: -0.008 local terms energy: -24.216993 where: bonds (distance) C4'-P energy: -5.191 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.123 flat angles P-C4'-P energy: -4.831 tors. eta vs tors. theta energy: -2.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 449 Temperature: 1.100000 Total energy: -35.531243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.531243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.531243 (E_RNA) where: Base-Base interactions energy: -14.863 where: short stacking energy: -14.863 Base-Backbone interact. energy: -0.032 local terms energy: -20.636145 where: bonds (distance) C4'-P energy: -5.651 bonds (distance) P-C4' energy: -5.339 flat angles C4'-P-C4' energy: -3.713 flat angles P-C4'-P energy: -4.061 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: 6, replica: 1 ===================================== Write number: 449 Temperature: 1.150000 Total energy: -36.196795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.196795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.196795 (E_RNA) where: Base-Base interactions energy: -14.809 where: short stacking energy: -14.809 Base-Backbone interact. energy: -0.002 local terms energy: -21.386520 where: bonds (distance) C4'-P energy: -3.998 bonds (distance) P-C4' energy: -1.937 flat angles C4'-P-C4' energy: -6.044 flat angles P-C4'-P energy: -5.050 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: 7, replica: 3 ===================================== Write number: 449 Temperature: 1.200000 Total energy: -34.781889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.781889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.781889 (E_RNA) where: Base-Base interactions energy: -13.184 where: short stacking energy: -13.184 Base-Backbone interact. energy: -0.002 local terms energy: -21.595047 where: bonds (distance) C4'-P energy: -5.075 bonds (distance) P-C4' energy: -5.364 flat angles C4'-P-C4' energy: -5.903 flat angles P-C4'-P energy: -3.160 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: 8, replica: 4 ===================================== Write number: 449 Temperature: 1.250000 Total energy: -31.193804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.193804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.193804 (E_RNA) where: Base-Base interactions energy: -10.281 where: short stacking energy: -10.281 Base-Backbone interact. energy: -0.000 local terms energy: -20.912976 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -5.036 flat angles P-C4'-P energy: -0.891 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: 9, replica: 8 ===================================== Write number: 449 Temperature: 1.300000 Total energy: -25.903822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.903822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.903822 (E_RNA) where: Base-Base interactions energy: -6.306 where: short stacking energy: -6.306 Base-Backbone interact. energy: -0.055 local terms energy: -19.543188 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -5.038 flat angles P-C4'-P energy: -0.928 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: 10, replica: 9 ===================================== Write number: 449 Temperature: 1.350000 Total energy: -29.561230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.561230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.561230 (E_RNA) where: Base-Base interactions energy: -8.932 where: short stacking energy: -8.932 Base-Backbone interact. energy: -0.001 local terms energy: -20.628716 where: bonds (distance) C4'-P energy: -5.287 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -0.311 flat angles P-C4'-P energy: -4.559 tors. eta vs tors. theta energy: -3.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 450 Temperature: 0.900000 Total energy: -40.177245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.177245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.177245 (E_RNA) where: Base-Base interactions energy: -17.716 where: short stacking energy: -17.716 Base-Backbone interact. energy: -0.002 local terms energy: -22.459005 where: bonds (distance) C4'-P energy: -4.975 bonds (distance) P-C4' energy: -6.153 flat angles C4'-P-C4' energy: -4.567 flat angles P-C4'-P energy: -4.235 tors. eta vs tors. theta energy: -2.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 450 Temperature: 0.950000 Total energy: -38.717898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.717898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.717898 (E_RNA) where: Base-Base interactions energy: -12.534 where: short stacking energy: -12.534 Base-Backbone interact. energy: -0.098 local terms energy: -26.085245 where: bonds (distance) C4'-P energy: -5.191 bonds (distance) P-C4' energy: -6.149 flat angles C4'-P-C4' energy: -5.093 flat angles P-C4'-P energy: -5.279 tors. eta vs tors. theta energy: -4.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 450 Temperature: 1.000000 Total energy: -36.879824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.879824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.879824 (E_RNA) where: Base-Base interactions energy: -13.722 where: short stacking energy: -13.722 Base-Backbone interact. energy: -0.001 local terms energy: -23.156590 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -6.622 flat angles C4'-P-C4' energy: -5.514 flat angles P-C4'-P energy: -2.404 tors. eta vs tors. theta energy: -3.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 450 Temperature: 1.050000 Total energy: -37.200323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.200323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.200323 (E_RNA) where: Base-Base interactions energy: -12.540 where: short stacking energy: -12.540 Base-Backbone interact. energy: -0.000 local terms energy: -24.660004 where: bonds (distance) C4'-P energy: -5.100 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -5.144 flat angles P-C4'-P energy: -3.628 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: 5, replica: 1 ===================================== Write number: 450 Temperature: 1.100000 Total energy: -41.359821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.359821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.359821 (E_RNA) where: Base-Base interactions energy: -17.092 where: short stacking energy: -17.092 Base-Backbone interact. energy: -0.000 local terms energy: -24.267860 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -5.956 flat angles C4'-P-C4' energy: -4.615 flat angles P-C4'-P energy: -3.199 tors. eta vs tors. theta energy: -4.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 450 Temperature: 1.150000 Total energy: -35.848402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.848402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.848402 (E_RNA) where: Base-Base interactions energy: -14.445 where: short stacking energy: -14.445 Base-Backbone interact. energy: -0.013 local terms energy: -21.390270 where: bonds (distance) C4'-P energy: -4.923 bonds (distance) P-C4' energy: -6.153 flat angles C4'-P-C4' energy: -4.910 flat angles P-C4'-P energy: -2.963 tors. eta vs tors. theta energy: -2.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 450 Temperature: 1.200000 Total energy: -33.166119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.166119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.166119 (E_RNA) where: Base-Base interactions energy: -9.497 where: short stacking energy: -9.497 Base-Backbone interact. energy: -0.001 local terms energy: -23.668083 where: bonds (distance) C4'-P energy: -5.075 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -5.563 flat angles P-C4'-P energy: -4.145 tors. eta vs tors. theta energy: -2.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 450 Temperature: 1.250000 Total energy: -30.981731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.981731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.981731 (E_RNA) where: Base-Base interactions energy: -9.539 where: short stacking energy: -9.539 Base-Backbone interact. energy: -0.000 local terms energy: -21.442302 where: bonds (distance) C4'-P energy: -4.246 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -3.379 flat angles P-C4'-P energy: -4.975 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: 9, replica: 9 ===================================== Write number: 450 Temperature: 1.300000 Total energy: -29.841205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.841205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.841205 (E_RNA) where: Base-Base interactions energy: -8.297 where: short stacking energy: -8.297 Base-Backbone interact. energy: -0.001 local terms energy: -21.543196 where: bonds (distance) C4'-P energy: -5.199 bonds (distance) P-C4' energy: -4.653 flat angles C4'-P-C4' energy: -4.386 flat angles P-C4'-P energy: -2.913 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: 10, replica: 8 ===================================== Write number: 450 Temperature: 1.350000 Total energy: -26.274004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.274004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.274004 (E_RNA) where: Base-Base interactions energy: -8.530 where: short stacking energy: -8.530 Base-Backbone interact. energy: 0.046 local terms energy: -17.790715 where: bonds (distance) C4'-P energy: -5.882 bonds (distance) P-C4' energy: -4.230 flat angles C4'-P-C4' energy: -2.089 flat angles P-C4'-P energy: -4.432 tors. eta vs tors. theta energy: -1.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 451 Temperature: 0.900000 Total energy: -35.388875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.388875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.388875 (E_RNA) where: Base-Base interactions energy: -10.720 where: short stacking energy: -10.720 Base-Backbone interact. energy: -0.027 local terms energy: -24.641975 where: bonds (distance) C4'-P energy: -5.651 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -4.885 flat angles P-C4'-P energy: -4.529 tors. eta vs tors. theta energy: -2.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 451 Temperature: 0.950000 Total energy: -38.123937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.123937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.123937 (E_RNA) where: Base-Base interactions energy: -14.104 where: short stacking energy: -14.104 Base-Backbone interact. energy: 0.878 local terms energy: -24.898043 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -6.125 flat angles C4'-P-C4' energy: -5.410 flat angles P-C4'-P energy: -5.018 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: 3, replica: 2 ===================================== Write number: 451 Temperature: 1.000000 Total energy: -40.132726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.132726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.132726 (E_RNA) where: Base-Base interactions energy: -12.396 where: short stacking energy: -12.396 Base-Backbone interact. energy: -0.000 local terms energy: -27.736716 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.463 flat angles P-C4'-P energy: -5.105 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: 4, replica: 1 ===================================== Write number: 451 Temperature: 1.050000 Total energy: -43.101542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.101542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.101542 (E_RNA) where: Base-Base interactions energy: -15.000 where: short stacking energy: -15.000 Base-Backbone interact. energy: -0.000 local terms energy: -28.101141 where: bonds (distance) C4'-P energy: -5.837 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.959 flat angles P-C4'-P energy: -3.931 tors. eta vs tors. theta energy: -5.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 451 Temperature: 1.100000 Total energy: -33.447766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.447766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.447766 (E_RNA) where: Base-Base interactions energy: -9.171 where: short stacking energy: -9.171 Base-Backbone interact. energy: -0.015 local terms energy: -24.261679 where: bonds (distance) C4'-P energy: -5.982 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -6.804 flat angles P-C4'-P energy: -4.235 tors. eta vs tors. theta energy: -0.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 451 Temperature: 1.150000 Total energy: -33.403788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.403788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.403788 (E_RNA) where: Base-Base interactions energy: -12.632 where: short stacking energy: -12.632 Base-Backbone interact. energy: -0.002 local terms energy: -20.769811 where: bonds (distance) C4'-P energy: -5.535 bonds (distance) P-C4' energy: -5.723 flat angles C4'-P-C4' energy: -6.501 flat angles P-C4'-P energy: -2.803 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: 7, replica: 6 ===================================== Write number: 451 Temperature: 1.200000 Total energy: -34.286439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.286439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.286439 (E_RNA) where: Base-Base interactions energy: -9.281 where: short stacking energy: -9.281 Base-Backbone interact. energy: -0.002 local terms energy: -25.004340 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -5.326 flat angles P-C4'-P energy: -4.085 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: 8, replica: 9 ===================================== Write number: 451 Temperature: 1.250000 Total energy: -32.350853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.350853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.350853 (E_RNA) where: Base-Base interactions energy: -10.809 where: short stacking energy: -10.809 Base-Backbone interact. energy: -0.002 local terms energy: -21.539299 where: bonds (distance) C4'-P energy: -5.473 bonds (distance) P-C4' energy: -5.273 flat angles C4'-P-C4' energy: -5.429 flat angles P-C4'-P energy: -4.295 tors. eta vs tors. theta energy: -1.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 451 Temperature: 1.300000 Total energy: -32.541125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.541125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.541125 (E_RNA) where: Base-Base interactions energy: -13.049 where: short stacking energy: -13.049 Base-Backbone interact. energy: -0.006 local terms energy: -19.486523 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -5.276 flat angles C4'-P-C4' energy: -4.784 flat angles P-C4'-P energy: 0.175 tors. eta vs tors. theta energy: -3.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 451 Temperature: 1.350000 Total energy: -31.780451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.780451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.780451 (E_RNA) where: Base-Base interactions energy: -7.707 where: short stacking energy: -7.707 Base-Backbone interact. energy: -0.000 local terms energy: -24.072941 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -5.628 flat angles C4'-P-C4' energy: -6.206 flat angles P-C4'-P energy: -3.577 tors. eta vs tors. theta energy: -2.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 452 Temperature: 0.900000 Total energy: -41.104654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.104654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.104654 (E_RNA) where: Base-Base interactions energy: -15.014 where: short stacking energy: -15.014 Base-Backbone interact. energy: -0.000 local terms energy: -26.090888 where: bonds (distance) C4'-P energy: -5.982 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -3.463 flat angles P-C4'-P energy: -4.293 tors. eta vs tors. theta energy: -5.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 452 Temperature: 0.950000 Total energy: -39.568284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.568284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.568284 (E_RNA) where: Base-Base interactions energy: -11.600 where: short stacking energy: -11.600 Base-Backbone interact. energy: -0.078 local terms energy: -27.890119 where: bonds (distance) C4'-P energy: -3.655 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -6.662 flat angles P-C4'-P energy: -5.170 tors. eta vs tors. theta energy: -5.502 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: 1 ===================================== Write number: 452 Temperature: 1.000000 Total energy: -41.065145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.065145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.065145 (E_RNA) where: Base-Base interactions energy: -13.705 where: short stacking energy: -13.705 Base-Backbone interact. energy: -0.000 local terms energy: -27.359658 where: bonds (distance) C4'-P energy: -6.006 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -6.452 flat angles P-C4'-P energy: -3.767 tors. eta vs tors. theta energy: -4.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 452 Temperature: 1.050000 Total energy: -38.457340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.457340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.457340 (E_RNA) where: Base-Base interactions energy: -12.383 where: short stacking energy: -12.383 Base-Backbone interact. energy: 0.860 local terms energy: -26.934406 where: bonds (distance) C4'-P energy: -5.729 bonds (distance) P-C4' energy: -5.537 flat angles C4'-P-C4' energy: -5.747 flat angles P-C4'-P energy: -4.380 tors. eta vs tors. theta energy: -5.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 452 Temperature: 1.100000 Total energy: -35.249616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.249616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.249616 (E_RNA) where: Base-Base interactions energy: -14.501 where: short stacking energy: -14.501 Base-Backbone interact. energy: -0.000 local terms energy: -20.748310 where: bonds (distance) C4'-P energy: -4.123 bonds (distance) P-C4' energy: -5.073 flat angles C4'-P-C4' energy: -5.128 flat angles P-C4'-P energy: -1.482 tors. eta vs tors. theta energy: -4.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 452 Temperature: 1.150000 Total energy: -38.037877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.037877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.037877 (E_RNA) where: Base-Base interactions energy: -12.823 where: short stacking energy: -12.823 Base-Backbone interact. energy: -0.001 local terms energy: -25.213369 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -7.144 flat angles C4'-P-C4' energy: -6.118 flat angles P-C4'-P energy: -3.712 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: 7, replica: 9 ===================================== Write number: 452 Temperature: 1.200000 Total energy: -32.509329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.509329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.509329 (E_RNA) where: Base-Base interactions energy: -11.364 where: short stacking energy: -11.364 Base-Backbone interact. energy: -0.096 local terms energy: -21.048789 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -2.585 flat angles C4'-P-C4' energy: -4.637 flat angles P-C4'-P energy: -3.811 tors. eta vs tors. theta energy: -4.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 452 Temperature: 1.250000 Total energy: -29.408020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.408020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.408020 (E_RNA) where: Base-Base interactions energy: -9.489 where: short stacking energy: -9.489 Base-Backbone interact. energy: 0.276 local terms energy: -20.195077 where: bonds (distance) C4'-P energy: -3.696 bonds (distance) P-C4' energy: -5.309 flat angles C4'-P-C4' energy: -5.171 flat angles P-C4'-P energy: -2.887 tors. eta vs tors. theta energy: -3.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 452 Temperature: 1.300000 Total energy: -29.010160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.010160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.010160 (E_RNA) where: Base-Base interactions energy: -9.006 where: short stacking energy: -9.006 Base-Backbone interact. energy: 1.405 local terms energy: -21.409234 where: bonds (distance) C4'-P energy: -5.953 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -5.241 flat angles P-C4'-P energy: -3.069 tors. eta vs tors. theta energy: -1.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 452 Temperature: 1.350000 Total energy: -28.767520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.767520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.767520 (E_RNA) where: Base-Base interactions energy: -8.129 where: short stacking energy: -8.129 Base-Backbone interact. energy: -0.002 local terms energy: -20.636398 where: bonds (distance) C4'-P energy: -3.671 bonds (distance) P-C4' energy: -5.966 flat angles C4'-P-C4' energy: -3.948 flat angles P-C4'-P energy: -3.383 tors. eta vs tors. theta energy: -3.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 453 Temperature: 0.900000 Total energy: -42.704123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.704123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.704123 (E_RNA) where: Base-Base interactions energy: -17.553 where: short stacking energy: -17.553 Base-Backbone interact. energy: -0.000 local terms energy: -25.150489 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -5.723 flat angles C4'-P-C4' energy: -6.025 flat angles P-C4'-P energy: -5.168 tors. eta vs tors. theta energy: -3.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 453 Temperature: 0.950000 Total energy: -38.627801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.627801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.627801 (E_RNA) where: Base-Base interactions energy: -14.389 where: short stacking energy: -14.389 Base-Backbone interact. energy: -0.001 local terms energy: -24.238104 where: bonds (distance) C4'-P energy: -4.496 bonds (distance) P-C4' energy: -5.466 flat angles C4'-P-C4' energy: -5.005 flat angles P-C4'-P energy: -3.976 tors. eta vs tors. theta energy: -5.296 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: 10 ===================================== Write number: 453 Temperature: 1.000000 Total energy: -38.332672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.332672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.332672 (E_RNA) where: Base-Base interactions energy: -13.079 where: short stacking energy: -13.079 Base-Backbone interact. energy: -0.000 local terms energy: -25.253421 where: bonds (distance) C4'-P energy: -6.006 bonds (distance) P-C4' energy: -6.873 flat angles C4'-P-C4' energy: -5.404 flat angles P-C4'-P energy: -3.410 tors. eta vs tors. theta energy: -3.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 453 Temperature: 1.050000 Total energy: -37.849517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.849517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.849517 (E_RNA) where: Base-Base interactions energy: -12.909 where: short stacking energy: -12.909 Base-Backbone interact. energy: -0.001 local terms energy: -24.939533 where: bonds (distance) C4'-P energy: -4.753 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -5.943 flat angles P-C4'-P energy: -5.489 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: 5, replica: 2 ===================================== Write number: 453 Temperature: 1.100000 Total energy: -32.761262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.761262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.761262 (E_RNA) where: Base-Base interactions energy: -11.090 where: short stacking energy: -11.064 Base-Backbone interact. energy: -0.000 local terms energy: -21.671743 where: bonds (distance) C4'-P energy: -4.144 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -4.427 flat angles P-C4'-P energy: -4.756 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: 9 ===================================== Write number: 453 Temperature: 1.150000 Total energy: -40.084359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.084359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.084359 (E_RNA) where: Base-Base interactions energy: -14.543 where: short stacking energy: -14.543 Base-Backbone interact. energy: -0.001 local terms energy: -25.540358 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -6.128 flat angles C4'-P-C4' energy: -5.096 flat angles P-C4'-P energy: -3.399 tors. eta vs tors. theta energy: -5.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 453 Temperature: 1.200000 Total energy: -33.344691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.344691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.344691 (E_RNA) where: Base-Base interactions energy: -9.763 where: short stacking energy: -9.763 Base-Backbone interact. energy: 0.578 local terms energy: -24.160201 where: bonds (distance) C4'-P energy: -5.845 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -4.485 flat angles P-C4'-P energy: -3.623 tors. eta vs tors. theta energy: -3.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 453 Temperature: 1.250000 Total energy: -34.724456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.724456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.724456 (E_RNA) where: Base-Base interactions energy: -13.488 where: short stacking energy: -13.488 Base-Backbone interact. energy: -0.082 local terms energy: -21.154832 where: bonds (distance) C4'-P energy: -5.091 bonds (distance) P-C4' energy: -3.502 flat angles C4'-P-C4' energy: -4.094 flat angles P-C4'-P energy: -5.018 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: 9, replica: 6 ===================================== Write number: 453 Temperature: 1.300000 Total energy: -27.863949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.863949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.863949 (E_RNA) where: Base-Base interactions energy: -6.871 where: short stacking energy: -6.871 Base-Backbone interact. energy: -0.089 local terms energy: -20.904821 where: bonds (distance) C4'-P energy: -6.263 bonds (distance) P-C4' energy: -6.174 flat angles C4'-P-C4' energy: -4.268 flat angles P-C4'-P energy: -4.182 tors. eta vs tors. theta energy: -0.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 453 Temperature: 1.350000 Total energy: -28.459535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.459535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.459535 (E_RNA) where: Base-Base interactions energy: -9.135 where: short stacking energy: -9.135 Base-Backbone interact. energy: -0.000 local terms energy: -19.324086 where: bonds (distance) C4'-P energy: -4.851 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -4.492 flat angles P-C4'-P energy: -2.814 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: 1 ===================================== Write number: 454 Temperature: 0.900000 Total energy: -43.581717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.581717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.581717 (E_RNA) where: Base-Base interactions energy: -14.956 where: short stacking energy: -14.956 Base-Backbone interact. energy: -0.008 local terms energy: -28.618518 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -6.829 flat angles P-C4'-P energy: -4.991 tors. eta vs tors. theta energy: -4.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 454 Temperature: 0.950000 Total energy: -41.418868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.418868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.418868 (E_RNA) where: Base-Base interactions energy: -17.198 where: short stacking energy: -17.198 Base-Backbone interact. energy: -0.005 local terms energy: -24.215490 where: bonds (distance) C4'-P energy: -3.084 bonds (distance) P-C4' energy: -6.181 flat angles C4'-P-C4' energy: -6.484 flat angles P-C4'-P energy: -4.732 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: 4 ===================================== Write number: 454 Temperature: 1.000000 Total energy: -35.304376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.304376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.304376 (E_RNA) where: Base-Base interactions energy: -15.726 where: short stacking energy: -15.726 Base-Backbone interact. energy: -0.019 local terms energy: -19.559597 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -3.914 flat angles C4'-P-C4' energy: -6.010 flat angles P-C4'-P energy: -4.295 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: 4, replica: 10 ===================================== Write number: 454 Temperature: 1.050000 Total energy: -36.075245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.075245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.075245 (E_RNA) where: Base-Base interactions energy: -11.109 where: short stacking energy: -11.109 Base-Backbone interact. energy: -0.040 local terms energy: -24.925775 where: bonds (distance) C4'-P energy: -4.665 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -4.007 flat angles P-C4'-P energy: -4.546 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: 5, replica: 9 ===================================== Write number: 454 Temperature: 1.100000 Total energy: -33.069078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.069078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.069078 (E_RNA) where: Base-Base interactions energy: -10.489 where: short stacking energy: -10.489 Base-Backbone interact. energy: -0.124 local terms energy: -22.455731 where: bonds (distance) C4'-P energy: -4.864 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -4.626 flat angles P-C4'-P energy: -2.477 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: 6, replica: 2 ===================================== Write number: 454 Temperature: 1.150000 Total energy: -38.444423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.444423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.444423 (E_RNA) where: Base-Base interactions energy: -14.173 where: short stacking energy: -14.173 Base-Backbone interact. energy: -0.000 local terms energy: -24.271624 where: bonds (distance) C4'-P energy: -5.837 bonds (distance) P-C4' energy: -6.097 flat angles C4'-P-C4' energy: -6.111 flat angles P-C4'-P energy: -3.854 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: 8 ===================================== Write number: 454 Temperature: 1.200000 Total energy: -36.282922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.282922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.282922 (E_RNA) where: Base-Base interactions energy: -12.916 where: short stacking energy: -12.916 Base-Backbone interact. energy: -0.061 local terms energy: -23.306400 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -6.059 flat angles P-C4'-P energy: -1.909 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: 8, replica: 7 ===================================== Write number: 454 Temperature: 1.250000 Total energy: -32.407206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.407206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.407206 (E_RNA) where: Base-Base interactions energy: -10.089 where: short stacking energy: -10.089 Base-Backbone interact. energy: -0.000 local terms energy: -22.317650 where: bonds (distance) C4'-P energy: -1.995 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -5.307 flat angles P-C4'-P energy: -5.786 tors. eta vs tors. theta energy: -2.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 454 Temperature: 1.300000 Total energy: -34.677053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.677053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.677053 (E_RNA) where: Base-Base interactions energy: -14.985 where: short stacking energy: -14.985 Base-Backbone interact. energy: -0.014 local terms energy: -19.677804 where: bonds (distance) C4'-P energy: -4.230 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -3.202 flat angles P-C4'-P energy: -2.848 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: 10, replica: 6 ===================================== Write number: 454 Temperature: 1.350000 Total energy: -26.688120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.688120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.688120 (E_RNA) where: Base-Base interactions energy: -7.949 where: short stacking energy: -7.949 Base-Backbone interact. energy: -0.179 local terms energy: -18.560429 where: bonds (distance) C4'-P energy: -1.282 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -5.985 flat angles P-C4'-P energy: -4.532 tors. eta vs tors. theta energy: 0.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 455 Temperature: 0.900000 Total energy: -41.099577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.099577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.099577 (E_RNA) where: Base-Base interactions energy: -16.995 where: short stacking energy: -16.995 Base-Backbone interact. energy: -0.034 local terms energy: -24.070992 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -5.935 flat angles C4'-P-C4' energy: -5.387 flat angles P-C4'-P energy: -2.597 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: 2, replica: 4 ===================================== Write number: 455 Temperature: 0.950000 Total energy: -38.435977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.435977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.435977 (E_RNA) where: Base-Base interactions energy: -17.417 where: short stacking energy: -17.417 Base-Backbone interact. energy: -0.002 local terms energy: -21.016434 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -5.925 flat angles P-C4'-P energy: -2.645 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: 3, replica: 5 ===================================== Write number: 455 Temperature: 1.000000 Total energy: -38.604805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.604805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.604805 (E_RNA) where: Base-Base interactions energy: -14.174 where: short stacking energy: -14.174 Base-Backbone interact. energy: -0.007 local terms energy: -24.423130 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -4.721 flat angles P-C4'-P energy: -3.792 tors. eta vs tors. theta energy: -3.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 455 Temperature: 1.050000 Total energy: -35.704991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.704991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.704991 (E_RNA) where: Base-Base interactions energy: -14.042 where: short stacking energy: -14.042 Base-Backbone interact. energy: -0.051 local terms energy: -21.611450 where: bonds (distance) C4'-P energy: -4.508 bonds (distance) P-C4' energy: -5.251 flat angles C4'-P-C4' energy: -5.495 flat angles P-C4'-P energy: -4.353 tors. eta vs tors. theta energy: -2.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 455 Temperature: 1.100000 Total energy: -32.539233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.539233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.539233 (E_RNA) where: Base-Base interactions energy: -10.551 where: short stacking energy: -10.551 Base-Backbone interact. energy: -0.000 local terms energy: -21.988124 where: bonds (distance) C4'-P energy: -4.632 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -3.167 flat angles P-C4'-P energy: -5.088 tors. eta vs tors. theta energy: -2.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 455 Temperature: 1.150000 Total energy: -34.119134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.119134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.119134 (E_RNA) where: Base-Base interactions energy: -7.336 where: short stacking energy: -7.336 Base-Backbone interact. energy: -0.000 local terms energy: -26.783119 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.873 flat angles P-C4'-P energy: -5.024 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: 2 ===================================== Write number: 455 Temperature: 1.200000 Total energy: -33.551754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.551754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.551754 (E_RNA) where: Base-Base interactions energy: -11.222 where: short stacking energy: -11.222 Base-Backbone interact. energy: -0.006 local terms energy: -22.323715 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -3.082 flat angles P-C4'-P energy: -4.113 tors. eta vs tors. theta energy: -1.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 455 Temperature: 1.250000 Total energy: -37.073058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.073058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.073058 (E_RNA) where: Base-Base interactions energy: -14.297 where: short stacking energy: -14.297 Base-Backbone interact. energy: -0.071 local terms energy: -22.705136 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -5.702 flat angles C4'-P-C4' energy: -3.145 flat angles P-C4'-P energy: -5.041 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: 9, replica: 7 ===================================== Write number: 455 Temperature: 1.300000 Total energy: -29.274602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.274602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.274602 (E_RNA) where: Base-Base interactions energy: -8.840 where: short stacking energy: -8.840 Base-Backbone interact. energy: -0.188 local terms energy: -20.246025 where: bonds (distance) C4'-P energy: -5.306 bonds (distance) P-C4' energy: -6.438 flat angles C4'-P-C4' energy: -4.026 flat angles P-C4'-P energy: -4.482 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: 10, replica: 6 ===================================== Write number: 455 Temperature: 1.350000 Total energy: -31.154788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.154788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.154788 (E_RNA) where: Base-Base interactions energy: -9.999 where: short stacking energy: -9.999 Base-Backbone interact. energy: -0.055 local terms energy: -21.099955 where: bonds (distance) C4'-P energy: -4.694 bonds (distance) P-C4' energy: -5.837 flat angles C4'-P-C4' energy: -3.185 flat angles P-C4'-P energy: -4.886 tors. eta vs tors. theta energy: -2.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 456 Temperature: 0.900000 Total energy: -40.112833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.112833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.112833 (E_RNA) where: Base-Base interactions energy: -16.120 where: short stacking energy: -16.120 Base-Backbone interact. energy: -0.022 local terms energy: -23.970622 where: bonds (distance) C4'-P energy: -4.988 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -5.485 flat angles P-C4'-P energy: -3.956 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: 1 ===================================== Write number: 456 Temperature: 0.950000 Total energy: -37.082660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.082660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.082660 (E_RNA) where: Base-Base interactions energy: -12.495 where: short stacking energy: -12.495 Base-Backbone interact. energy: -0.003 local terms energy: -24.584527 where: bonds (distance) C4'-P energy: -5.659 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -4.828 flat angles P-C4'-P energy: -4.026 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: 3, replica: 5 ===================================== Write number: 456 Temperature: 1.000000 Total energy: -36.002351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.002351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.002351 (E_RNA) where: Base-Base interactions energy: -16.640 where: short stacking energy: -16.640 Base-Backbone interact. energy: -0.006 local terms energy: -19.356585 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -5.494 flat angles C4'-P-C4' energy: -3.851 flat angles P-C4'-P energy: -4.637 tors. eta vs tors. theta energy: 0.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 456 Temperature: 1.050000 Total energy: -37.451698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.451698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.451698 (E_RNA) where: Base-Base interactions energy: -15.481 where: short stacking energy: -15.481 Base-Backbone interact. energy: -0.046 local terms energy: -21.924641 where: bonds (distance) C4'-P energy: -5.750 bonds (distance) P-C4' energy: -5.445 flat angles C4'-P-C4' energy: -5.231 flat angles P-C4'-P energy: -3.109 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: 5, replica: 8 ===================================== Write number: 456 Temperature: 1.100000 Total energy: -35.732637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.732637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.732637 (E_RNA) where: Base-Base interactions energy: -9.090 where: short stacking energy: -9.090 Base-Backbone interact. energy: -0.000 local terms energy: -26.642121 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -5.150 flat angles C4'-P-C4' energy: -6.066 flat angles P-C4'-P energy: -4.633 tors. eta vs tors. theta energy: -4.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 456 Temperature: 1.150000 Total energy: -32.450389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.450389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.450389 (E_RNA) where: Base-Base interactions energy: -8.492 where: short stacking energy: -8.723 Base-Backbone interact. energy: -0.886 local terms energy: -23.072485 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -4.938 flat angles P-C4'-P energy: -2.988 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: 7, replica: 3 ===================================== Write number: 456 Temperature: 1.200000 Total energy: -34.632561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.632561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.632561 (E_RNA) where: Base-Base interactions energy: -15.031 where: short stacking energy: -15.031 Base-Backbone interact. energy: -0.000 local terms energy: -19.601628 where: bonds (distance) C4'-P energy: -2.856 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -3.519 flat angles P-C4'-P energy: -2.277 tors. eta vs tors. theta energy: -4.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 456 Temperature: 1.250000 Total energy: -29.864373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.864373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.864373 (E_RNA) where: Base-Base interactions energy: -12.741 where: short stacking energy: -12.741 Base-Backbone interact. energy: -0.000 local terms energy: -17.123031 where: bonds (distance) C4'-P energy: -5.696 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -3.531 flat angles P-C4'-P energy: -0.811 tors. eta vs tors. theta energy: -0.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 456 Temperature: 1.300000 Total energy: -30.936218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.936218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.936218 (E_RNA) where: Base-Base interactions energy: -10.131 where: short stacking energy: -10.131 Base-Backbone interact. energy: -0.000 local terms energy: -20.804552 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -6.153 flat angles C4'-P-C4' energy: -3.743 flat angles P-C4'-P energy: -4.339 tors. eta vs tors. theta energy: -0.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 456 Temperature: 1.350000 Total energy: -29.572827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.572827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.572827 (E_RNA) where: Base-Base interactions energy: -11.214 where: short stacking energy: -11.214 Base-Backbone interact. energy: -0.693 local terms energy: -17.665872 where: bonds (distance) C4'-P energy: -3.696 bonds (distance) P-C4' energy: -4.659 flat angles C4'-P-C4' energy: -5.380 flat angles P-C4'-P energy: -2.905 tors. eta vs tors. theta energy: -1.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 457 Temperature: 0.900000 Total energy: -40.850811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.850811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.850811 (E_RNA) where: Base-Base interactions energy: -16.210 where: short stacking energy: -16.210 Base-Backbone interact. energy: -0.006 local terms energy: -24.634690 where: bonds (distance) C4'-P energy: -5.225 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.401 flat angles P-C4'-P energy: -2.893 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: 2, replica: 5 ===================================== Write number: 457 Temperature: 0.950000 Total energy: -39.289236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.289236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.289236 (E_RNA) where: Base-Base interactions energy: -13.086 where: short stacking energy: -13.086 Base-Backbone interact. energy: -0.000 local terms energy: -26.203561 where: bonds (distance) C4'-P energy: -5.518 bonds (distance) P-C4' energy: -5.572 flat angles C4'-P-C4' energy: -5.219 flat angles P-C4'-P energy: -5.117 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: 457 Temperature: 1.000000 Total energy: -43.871757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.871757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.871757 (E_RNA) where: Base-Base interactions energy: -17.515 where: short stacking energy: -17.515 Base-Backbone interact. energy: -0.000 local terms energy: -26.356261 where: bonds (distance) C4'-P energy: -3.539 bonds (distance) P-C4' energy: -7.147 flat angles C4'-P-C4' energy: -5.432 flat angles P-C4'-P energy: -3.313 tors. eta vs tors. theta energy: -6.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 457 Temperature: 1.050000 Total energy: -38.130678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.130678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.130678 (E_RNA) where: Base-Base interactions energy: -14.266 where: short stacking energy: -14.266 Base-Backbone interact. energy: -0.320 local terms energy: -23.544646 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -6.442 flat angles C4'-P-C4' energy: -4.449 flat angles P-C4'-P energy: -2.863 tors. eta vs tors. theta energy: -4.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 457 Temperature: 1.100000 Total energy: -31.902504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.902504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.902504 (E_RNA) where: Base-Base interactions energy: -9.152 where: short stacking energy: -9.152 Base-Backbone interact. energy: -0.232 local terms energy: -22.518120 where: bonds (distance) C4'-P energy: -3.796 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -5.837 flat angles P-C4'-P energy: -3.709 tors. eta vs tors. theta energy: -2.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 457 Temperature: 1.150000 Total energy: -32.420129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.420129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.420129 (E_RNA) where: Base-Base interactions energy: -10.741 where: short stacking energy: -10.741 Base-Backbone interact. energy: -0.049 local terms energy: -21.630450 where: bonds (distance) C4'-P energy: -5.332 bonds (distance) P-C4' energy: -5.892 flat angles C4'-P-C4' energy: -5.467 flat angles P-C4'-P energy: -2.783 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: 10 ===================================== Write number: 457 Temperature: 1.200000 Total energy: -31.088955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.088955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.088955 (E_RNA) where: Base-Base interactions energy: -14.847 where: short stacking energy: -14.847 Base-Backbone interact. energy: -0.063 local terms energy: -16.179863 where: bonds (distance) C4'-P energy: -2.951 bonds (distance) P-C4' energy: -4.405 flat angles C4'-P-C4' energy: -2.812 flat angles P-C4'-P energy: -3.653 tors. eta vs tors. theta energy: -2.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 457 Temperature: 1.250000 Total energy: -33.556077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.556077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.556077 (E_RNA) where: Base-Base interactions energy: -10.735 where: short stacking energy: -10.735 Base-Backbone interact. energy: -0.000 local terms energy: -22.821064 where: bonds (distance) C4'-P energy: -6.060 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -3.877 flat angles P-C4'-P energy: -4.328 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: 9, replica: 2 ===================================== Write number: 457 Temperature: 1.300000 Total energy: -29.810462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.810462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.810462 (E_RNA) where: Base-Base interactions energy: -10.774 where: short stacking energy: -10.774 Base-Backbone interact. energy: -0.000 local terms energy: -19.036213 where: bonds (distance) C4'-P energy: -3.014 bonds (distance) P-C4' energy: -5.325 flat angles C4'-P-C4' energy: -4.970 flat angles P-C4'-P energy: -3.057 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: 10, replica: 7 ===================================== Write number: 457 Temperature: 1.350000 Total energy: -27.480372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.480372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.480372 (E_RNA) where: Base-Base interactions energy: -9.615 where: short stacking energy: -9.615 Base-Backbone interact. energy: -0.140 local terms energy: -17.725741 where: bonds (distance) C4'-P energy: -5.617 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -3.952 flat angles P-C4'-P energy: -3.841 tors. eta vs tors. theta energy: 1.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 458 Temperature: 0.900000 Total energy: -38.761293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.761293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.761293 (E_RNA) where: Base-Base interactions energy: -13.129 where: short stacking energy: -13.129 Base-Backbone interact. energy: -0.000 local terms energy: -25.632453 where: bonds (distance) C4'-P energy: -5.199 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -5.364 flat angles P-C4'-P energy: -3.755 tors. eta vs tors. theta energy: -5.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 458 Temperature: 0.950000 Total energy: -39.645912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.645912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.645912 (E_RNA) where: Base-Base interactions energy: -13.616 where: short stacking energy: -13.616 Base-Backbone interact. energy: -0.000 local terms energy: -26.030168 where: bonds (distance) C4'-P energy: -4.815 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -5.360 flat angles P-C4'-P energy: -4.544 tors. eta vs tors. theta energy: -4.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 458 Temperature: 1.000000 Total energy: -35.545554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.545554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.545554 (E_RNA) where: Base-Base interactions energy: -12.028 where: short stacking energy: -12.028 Base-Backbone interact. energy: -0.099 local terms energy: -23.418698 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -5.924 flat angles P-C4'-P energy: -2.971 tors. eta vs tors. theta energy: -2.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 458 Temperature: 1.050000 Total energy: -35.275696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.275696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.275696 (E_RNA) where: Base-Base interactions energy: -13.926 where: short stacking energy: -13.926 Base-Backbone interact. energy: -0.000 local terms energy: -21.349222 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.442 flat angles C4'-P-C4' energy: -6.542 flat angles P-C4'-P energy: 1.503 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: 5, replica: 3 ===================================== Write number: 458 Temperature: 1.100000 Total energy: -35.687594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.687594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.687594 (E_RNA) where: Base-Base interactions energy: -12.637 where: short stacking energy: -12.637 Base-Backbone interact. energy: -0.002 local terms energy: -23.049387 where: bonds (distance) C4'-P energy: -6.254 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -5.600 flat angles P-C4'-P energy: -2.664 tors. eta vs tors. theta energy: -2.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 458 Temperature: 1.150000 Total energy: -31.059270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.059270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.059270 (E_RNA) where: Base-Base interactions energy: -13.076 where: short stacking energy: -13.076 Base-Backbone interact. energy: -0.001 local terms energy: -17.982538 where: bonds (distance) C4'-P energy: -4.024 bonds (distance) P-C4' energy: -5.128 flat angles C4'-P-C4' energy: -5.479 flat angles P-C4'-P energy: -3.556 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: 7, replica: 6 ===================================== Write number: 458 Temperature: 1.200000 Total energy: -33.111233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.111233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.111233 (E_RNA) where: Base-Base interactions energy: -9.910 where: short stacking energy: -9.910 Base-Backbone interact. energy: -0.000 local terms energy: -23.200949 where: bonds (distance) C4'-P energy: -3.949 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -3.967 flat angles P-C4'-P energy: -3.642 tors. eta vs tors. theta energy: -5.683 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: 8, replica: 10 ===================================== Write number: 458 Temperature: 1.250000 Total energy: -29.640339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.640339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.640339 (E_RNA) where: Base-Base interactions energy: -10.535 where: short stacking energy: -10.535 Base-Backbone interact. energy: -0.096 local terms energy: -19.009554 where: bonds (distance) C4'-P energy: -4.983 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -6.627 flat angles P-C4'-P energy: -1.027 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: 9, replica: 7 ===================================== Write number: 458 Temperature: 1.300000 Total energy: -33.162775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.162775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.162775 (E_RNA) where: Base-Base interactions energy: -12.100 where: short stacking energy: -12.100 Base-Backbone interact. energy: -0.000 local terms energy: -21.063158 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -3.980 flat angles P-C4'-P energy: -4.576 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: 2 ===================================== Write number: 458 Temperature: 1.350000 Total energy: -33.428030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.428030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.428030 (E_RNA) where: Base-Base interactions energy: -12.676 where: short stacking energy: -12.676 Base-Backbone interact. energy: -0.002 local terms energy: -20.750140 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -5.121 flat angles P-C4'-P energy: -1.943 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: 1, replica: 5 ===================================== Write number: 459 Temperature: 0.900000 Total energy: -34.917812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.917812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.917812 (E_RNA) where: Base-Base interactions energy: -12.445 where: short stacking energy: -12.687 Base-Backbone interact. energy: -0.102 local terms energy: -22.370931 where: bonds (distance) C4'-P energy: -3.725 bonds (distance) P-C4' energy: -5.699 flat angles C4'-P-C4' energy: -6.568 flat angles P-C4'-P energy: -3.607 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: 2, replica: 1 ===================================== Write number: 459 Temperature: 0.950000 Total energy: -40.051813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.051813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.051813 (E_RNA) where: Base-Base interactions energy: -18.410 where: short stacking energy: -18.410 Base-Backbone interact. energy: -0.000 local terms energy: -21.641625 where: bonds (distance) C4'-P energy: -3.183 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -4.239 flat angles P-C4'-P energy: -2.953 tors. eta vs tors. theta energy: -4.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 459 Temperature: 1.000000 Total energy: -35.532634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.532634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.532634 (E_RNA) where: Base-Base interactions energy: -12.756 where: short stacking energy: -12.756 Base-Backbone interact. energy: -0.011 local terms energy: -22.765831 where: bonds (distance) C4'-P energy: -6.462 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -5.682 flat angles P-C4'-P energy: -2.705 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: 4, replica: 3 ===================================== Write number: 459 Temperature: 1.050000 Total energy: -33.141977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.141977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.141977 (E_RNA) where: Base-Base interactions energy: -9.896 where: short stacking energy: -9.896 Base-Backbone interact. energy: -0.095 local terms energy: -23.150561 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -3.837 flat angles P-C4'-P energy: -4.597 tors. eta vs tors. theta energy: -1.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 459 Temperature: 1.100000 Total energy: -33.107984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.107984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.107984 (E_RNA) where: Base-Base interactions energy: -9.448 where: short stacking energy: -9.448 Base-Backbone interact. energy: -0.005 local terms energy: -23.654972 where: bonds (distance) C4'-P energy: -5.535 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -5.173 flat angles P-C4'-P energy: -2.433 tors. eta vs tors. theta energy: -4.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 459 Temperature: 1.150000 Total energy: -32.227460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.227460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.227460 (E_RNA) where: Base-Base interactions energy: -11.511 where: short stacking energy: -11.511 Base-Backbone interact. energy: -0.061 local terms energy: -20.656086 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -6.097 flat angles C4'-P-C4' energy: -4.792 flat angles P-C4'-P energy: -2.198 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: 8 ===================================== Write number: 459 Temperature: 1.200000 Total energy: -30.031908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.031908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.031908 (E_RNA) where: Base-Base interactions energy: -9.718 where: short stacking energy: -9.718 Base-Backbone interact. energy: -0.191 local terms energy: -20.123179 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -4.621 flat angles C4'-P-C4' energy: -4.467 flat angles P-C4'-P energy: -4.258 tors. eta vs tors. theta energy: -1.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 459 Temperature: 1.250000 Total energy: -27.083910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.083910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.083910 (E_RNA) where: Base-Base interactions energy: -6.543 where: short stacking energy: -6.543 Base-Backbone interact. energy: -0.004 local terms energy: -20.537777 where: bonds (distance) C4'-P energy: -5.572 bonds (distance) P-C4' energy: -5.830 flat angles C4'-P-C4' energy: -5.374 flat angles P-C4'-P energy: -3.386 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: 9, replica: 10 ===================================== Write number: 459 Temperature: 1.300000 Total energy: -33.515154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.515154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.515154 (E_RNA) where: Base-Base interactions energy: -12.171 where: short stacking energy: -12.171 Base-Backbone interact. energy: -0.046 local terms energy: -21.298442 where: bonds (distance) C4'-P energy: -5.001 bonds (distance) P-C4' energy: -6.382 flat angles C4'-P-C4' energy: -5.622 flat angles P-C4'-P energy: -2.543 tors. eta vs tors. theta energy: -1.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 459 Temperature: 1.350000 Total energy: -33.927611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.927611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.927611 (E_RNA) where: Base-Base interactions energy: -13.512 where: short stacking energy: -13.512 Base-Backbone interact. energy: -0.001 local terms energy: -20.415137 where: bonds (distance) C4'-P energy: -6.006 bonds (distance) P-C4' energy: -1.695 flat angles C4'-P-C4' energy: -3.845 flat angles P-C4'-P energy: -3.492 tors. eta vs tors. theta energy: -5.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 460 Temperature: 0.900000 Total energy: -42.397865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.397865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.397865 (E_RNA) where: Base-Base interactions energy: -17.688 where: short stacking energy: -17.688 Base-Backbone interact. energy: -0.304 local terms energy: -24.405486 where: bonds (distance) C4'-P energy: -4.168 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -4.539 flat angles P-C4'-P energy: -4.880 tors. eta vs tors. theta energy: -4.855 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: 5 ===================================== Write number: 460 Temperature: 0.950000 Total energy: -40.951125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.951125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.951125 (E_RNA) where: Base-Base interactions energy: -18.464 where: short stacking energy: -18.464 Base-Backbone interact. energy: -0.003 local terms energy: -22.483797 where: bonds (distance) C4'-P energy: -5.091 bonds (distance) P-C4' energy: -5.107 flat angles C4'-P-C4' energy: -3.797 flat angles P-C4'-P energy: -4.606 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: 3, replica: 3 ===================================== Write number: 460 Temperature: 1.000000 Total energy: -34.716606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.716606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.716606 (E_RNA) where: Base-Base interactions energy: -10.037 where: short stacking energy: -10.037 Base-Backbone interact. energy: -0.121 local terms energy: -24.559347 where: bonds (distance) C4'-P energy: -6.105 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.423 flat angles P-C4'-P energy: -4.803 tors. eta vs tors. theta energy: -1.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 460 Temperature: 1.050000 Total energy: -35.120545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.120545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.120545 (E_RNA) where: Base-Base interactions energy: -14.437 where: short stacking energy: -14.437 Base-Backbone interact. energy: -0.003 local terms energy: -20.680102 where: bonds (distance) C4'-P energy: -3.858 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.345 flat angles P-C4'-P energy: -4.065 tors. eta vs tors. theta energy: -0.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 460 Temperature: 1.100000 Total energy: -34.982464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.982464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.982464 (E_RNA) where: Base-Base interactions energy: -9.078 where: short stacking energy: -9.078 Base-Backbone interact. energy: -0.000 local terms energy: -25.904022 where: bonds (distance) C4'-P energy: -5.099 bonds (distance) P-C4' energy: -5.339 flat angles C4'-P-C4' energy: -6.907 flat angles P-C4'-P energy: -4.909 tors. eta vs tors. theta energy: -3.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 460 Temperature: 1.150000 Total energy: -39.035204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.035204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.035204 (E_RNA) where: Base-Base interactions energy: -14.374 where: short stacking energy: -14.374 Base-Backbone interact. energy: -0.002 local terms energy: -24.659703 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -5.740 flat angles P-C4'-P energy: -3.462 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: 7, replica: 7 ===================================== Write number: 460 Temperature: 1.200000 Total energy: -35.064552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.064552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.064552 (E_RNA) where: Base-Base interactions energy: -11.816 where: short stacking energy: -11.816 Base-Backbone interact. energy: -0.315 local terms energy: -22.933225 where: bonds (distance) C4'-P energy: -5.982 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -6.289 flat angles P-C4'-P energy: -2.521 tors. eta vs tors. theta energy: -1.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 460 Temperature: 1.250000 Total energy: -29.054866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.054866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.054866 (E_RNA) where: Base-Base interactions energy: -11.673 where: short stacking energy: -11.673 Base-Backbone interact. energy: -0.005 local terms energy: -17.376313 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.153 flat angles C4'-P-C4' energy: 0.562 flat angles P-C4'-P energy: -4.368 tors. eta vs tors. theta energy: -1.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 460 Temperature: 1.300000 Total energy: -28.822450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.822450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.822450 (E_RNA) where: Base-Base interactions energy: -11.289 where: short stacking energy: -11.289 Base-Backbone interact. energy: -0.032 local terms energy: -17.502188 where: bonds (distance) C4'-P energy: -5.990 bonds (distance) P-C4' energy: -5.579 flat angles C4'-P-C4' energy: -0.577 flat angles P-C4'-P energy: -5.181 tors. eta vs tors. theta energy: -0.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 460 Temperature: 1.350000 Total energy: -30.558718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.558718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.558718 (E_RNA) where: Base-Base interactions energy: -10.182 where: short stacking energy: -10.182 Base-Backbone interact. energy: -0.000 local terms energy: -20.376123 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -3.679 flat angles P-C4'-P energy: -2.909 tors. eta vs tors. theta energy: -1.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 461 Temperature: 0.900000 Total energy: -42.140462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.140462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.140462 (E_RNA) where: Base-Base interactions energy: -14.490 where: short stacking energy: -14.490 Base-Backbone interact. energy: -0.000 local terms energy: -27.649913 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -5.863 flat angles P-C4'-P energy: -4.577 tors. eta vs tors. theta energy: -5.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 461 Temperature: 0.950000 Total energy: -38.548595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.548595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.548595 (E_RNA) where: Base-Base interactions energy: -15.170 where: short stacking energy: -15.170 Base-Backbone interact. energy: -0.032 local terms energy: -23.345945 where: bonds (distance) C4'-P energy: -5.998 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -4.661 flat angles P-C4'-P energy: -4.338 tors. eta vs tors. theta energy: -2.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 461 Temperature: 1.000000 Total energy: -37.561977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.561977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.561977 (E_RNA) where: Base-Base interactions energy: -14.146 where: short stacking energy: -14.347 Base-Backbone interact. energy: -0.104 local terms energy: -23.312678 where: bonds (distance) C4'-P energy: -5.767 bonds (distance) P-C4' energy: -6.914 flat angles C4'-P-C4' energy: -5.242 flat angles P-C4'-P energy: -2.682 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: 6 ===================================== Write number: 461 Temperature: 1.050000 Total energy: -39.329456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.329456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.329456 (E_RNA) where: Base-Base interactions energy: -13.614 where: short stacking energy: -13.614 Base-Backbone interact. energy: -0.000 local terms energy: -25.715752 where: bonds (distance) C4'-P energy: -4.872 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -4.323 flat angles P-C4'-P energy: -3.040 tors. eta vs tors. theta energy: -6.809 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: 461 Temperature: 1.100000 Total energy: -30.352548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.352548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.352548 (E_RNA) where: Base-Base interactions energy: -9.648 where: short stacking energy: -9.648 Base-Backbone interact. energy: -0.097 local terms energy: -20.607563 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -6.189 flat angles C4'-P-C4' energy: -5.144 flat angles P-C4'-P energy: -3.093 tors. eta vs tors. theta energy: -0.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 461 Temperature: 1.150000 Total energy: -36.022118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.022118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.022118 (E_RNA) where: Base-Base interactions energy: -11.086 where: short stacking energy: -11.086 Base-Backbone interact. energy: -0.097 local terms energy: -24.839285 where: bonds (distance) C4'-P energy: -5.071 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -4.434 flat angles P-C4'-P energy: -4.674 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: 7, replica: 9 ===================================== Write number: 461 Temperature: 1.200000 Total energy: -35.378001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.378001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.378001 (E_RNA) where: Base-Base interactions energy: -12.285 where: short stacking energy: -12.285 Base-Backbone interact. energy: -0.000 local terms energy: -23.092858 where: bonds (distance) C4'-P energy: -3.945 bonds (distance) P-C4' energy: -5.177 flat angles C4'-P-C4' energy: -5.750 flat angles P-C4'-P energy: -4.811 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: 8, replica: 2 ===================================== Write number: 461 Temperature: 1.250000 Total energy: -37.605740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.605740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.605740 (E_RNA) where: Base-Base interactions energy: -14.717 where: short stacking energy: -14.717 Base-Backbone interact. energy: -0.035 local terms energy: -22.853098 where: bonds (distance) C4'-P energy: -5.368 bonds (distance) P-C4' energy: -5.723 flat angles C4'-P-C4' energy: -4.473 flat angles P-C4'-P energy: -5.449 tors. eta vs tors. theta energy: -1.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 461 Temperature: 1.300000 Total energy: -31.445687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.445687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.445687 (E_RNA) where: Base-Base interactions energy: -9.671 where: short stacking energy: -9.671 Base-Backbone interact. energy: -0.057 local terms energy: -21.717992 where: bonds (distance) C4'-P energy: -5.244 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -5.163 flat angles P-C4'-P energy: -5.333 tors. eta vs tors. theta energy: -1.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 461 Temperature: 1.350000 Total energy: -30.467117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.467117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.467117 (E_RNA) where: Base-Base interactions energy: -9.152 where: short stacking energy: -9.152 Base-Backbone interact. energy: -0.058 local terms energy: -21.257355 where: bonds (distance) C4'-P energy: -5.109 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -6.244 flat angles P-C4'-P energy: -3.716 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: 1, replica: 3 ===================================== Write number: 462 Temperature: 0.900000 Total energy: -41.397466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.397466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.397466 (E_RNA) where: Base-Base interactions energy: -14.814 where: short stacking energy: -14.814 Base-Backbone interact. energy: -0.000 local terms energy: -26.583454 where: bonds (distance) C4'-P energy: -5.075 bonds (distance) P-C4' energy: -6.153 flat angles C4'-P-C4' energy: -6.385 flat angles P-C4'-P energy: -4.899 tors. eta vs tors. theta energy: -4.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 462 Temperature: 0.950000 Total energy: -38.305851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.305851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.305851 (E_RNA) where: Base-Base interactions energy: -15.210 where: short stacking energy: -15.210 Base-Backbone interact. energy: -0.003 local terms energy: -23.093417 where: bonds (distance) C4'-P energy: -5.733 bonds (distance) P-C4' energy: -5.135 flat angles C4'-P-C4' energy: -5.070 flat angles P-C4'-P energy: -5.526 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: 3, replica: 6 ===================================== Write number: 462 Temperature: 1.000000 Total energy: -37.832845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.832845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.832845 (E_RNA) where: Base-Base interactions energy: -11.274 where: short stacking energy: -11.274 Base-Backbone interact. energy: -2.956 local terms energy: -23.602756 where: bonds (distance) C4'-P energy: -4.578 bonds (distance) P-C4' energy: -4.420 flat angles C4'-P-C4' energy: -6.494 flat angles P-C4'-P energy: -2.397 tors. eta vs tors. theta energy: -5.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 462 Temperature: 1.050000 Total energy: -34.368808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.368808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.368808 (E_RNA) where: Base-Base interactions energy: -14.048 where: short stacking energy: -14.048 Base-Backbone interact. energy: -0.026 local terms energy: -20.294878 where: bonds (distance) C4'-P energy: -4.781 bonds (distance) P-C4' energy: -5.861 flat angles C4'-P-C4' energy: -5.977 flat angles P-C4'-P energy: -3.109 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: 5, replica: 7 ===================================== Write number: 462 Temperature: 1.100000 Total energy: -33.580688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.580688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.580688 (E_RNA) where: Base-Base interactions energy: -10.049 where: short stacking energy: -10.049 Base-Backbone interact. energy: -0.001 local terms energy: -23.531576 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -4.931 flat angles P-C4'-P energy: -4.334 tors. eta vs tors. theta energy: -2.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 462 Temperature: 1.150000 Total energy: -30.051000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.051000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.051000 (E_RNA) where: Base-Base interactions energy: -9.964 where: short stacking energy: -9.964 Base-Backbone interact. energy: -0.004 local terms energy: -20.082540 where: bonds (distance) C4'-P energy: -4.835 bonds (distance) P-C4' energy: -7.130 flat angles C4'-P-C4' energy: -4.565 flat angles P-C4'-P energy: -2.642 tors. eta vs tors. theta energy: -0.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 462 Temperature: 1.200000 Total energy: -30.783463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.783463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.783463 (E_RNA) where: Base-Base interactions energy: -9.953 where: short stacking energy: -9.953 Base-Backbone interact. energy: -0.020 local terms energy: -20.811267 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -5.837 flat angles C4'-P-C4' energy: -4.498 flat angles P-C4'-P energy: -5.155 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: 9 ===================================== Write number: 462 Temperature: 1.250000 Total energy: -31.212110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.212110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.212110 (E_RNA) where: Base-Base interactions energy: -13.501 where: short stacking energy: -13.501 Base-Backbone interact. energy: -0.000 local terms energy: -17.711357 where: bonds (distance) C4'-P energy: -3.319 bonds (distance) P-C4' energy: -4.677 flat angles C4'-P-C4' energy: -3.526 flat angles P-C4'-P energy: -5.090 tors. eta vs tors. theta energy: -1.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 462 Temperature: 1.300000 Total energy: -30.462998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.462998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.462998 (E_RNA) where: Base-Base interactions energy: -9.256 where: short stacking energy: -9.256 Base-Backbone interact. energy: -0.000 local terms energy: -21.207075 where: bonds (distance) C4'-P energy: -5.650 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -5.709 flat angles P-C4'-P energy: -2.074 tors. eta vs tors. theta energy: -2.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 462 Temperature: 1.350000 Total energy: -34.790011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.790011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.790011 (E_RNA) where: Base-Base interactions energy: -12.225 where: short stacking energy: -12.225 Base-Backbone interact. energy: -0.001 local terms energy: -22.564412 where: bonds (distance) C4'-P energy: -5.535 bonds (distance) P-C4' energy: -2.960 flat angles C4'-P-C4' energy: -5.485 flat angles P-C4'-P energy: -2.728 tors. eta vs tors. theta energy: -5.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 463 Temperature: 0.900000 Total energy: -39.843237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.843237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.843237 (E_RNA) where: Base-Base interactions energy: -14.371 where: short stacking energy: -14.371 Base-Backbone interact. energy: -1.105 local terms energy: -24.367984 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -5.853 flat angles P-C4'-P energy: -4.248 tors. eta vs tors. theta energy: -2.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 463 Temperature: 0.950000 Total energy: -38.404543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.404543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.404543 (E_RNA) where: Base-Base interactions energy: -13.368 where: short stacking energy: -13.368 Base-Backbone interact. energy: -0.148 local terms energy: -24.888317 where: bonds (distance) C4'-P energy: -6.160 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -5.570 flat angles P-C4'-P energy: -3.433 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: 3, replica: 1 ===================================== Write number: 463 Temperature: 1.000000 Total energy: -37.645059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.645059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.645059 (E_RNA) where: Base-Base interactions energy: -13.426 where: short stacking energy: -13.426 Base-Backbone interact. energy: -0.075 local terms energy: -24.143851 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -4.650 flat angles C4'-P-C4' energy: -5.640 flat angles P-C4'-P energy: -4.071 tors. eta vs tors. theta energy: -3.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 463 Temperature: 1.050000 Total energy: -35.697303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.697303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.697303 (E_RNA) where: Base-Base interactions energy: -11.776 where: short stacking energy: -11.776 Base-Backbone interact. energy: -0.004 local terms energy: -23.917512 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -6.018 flat angles P-C4'-P energy: -3.010 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: 5, replica: 5 ===================================== Write number: 463 Temperature: 1.100000 Total energy: -32.747809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.747809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.747809 (E_RNA) where: Base-Base interactions energy: -9.896 where: short stacking energy: -9.896 Base-Backbone interact. energy: -0.000 local terms energy: -22.851739 where: bonds (distance) C4'-P energy: -5.998 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -4.721 flat angles P-C4'-P energy: -3.465 tors. eta vs tors. theta energy: -2.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 463 Temperature: 1.150000 Total energy: -33.713711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.713711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.713711 (E_RNA) where: Base-Base interactions energy: -10.219 where: short stacking energy: -10.219 Base-Backbone interact. energy: -0.012 local terms energy: -23.482534 where: bonds (distance) C4'-P energy: -6.006 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -5.021 flat angles P-C4'-P energy: -3.378 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: 7, replica: 4 ===================================== Write number: 463 Temperature: 1.200000 Total energy: -31.395190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.395190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.395190 (E_RNA) where: Base-Base interactions energy: -11.317 where: short stacking energy: -11.317 Base-Backbone interact. energy: -0.015 local terms energy: -20.063605 where: bonds (distance) C4'-P energy: -3.887 bonds (distance) P-C4' energy: -5.833 flat angles C4'-P-C4' energy: -5.695 flat angles P-C4'-P energy: -3.449 tors. eta vs tors. theta energy: -1.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 463 Temperature: 1.250000 Total energy: -32.217917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.217917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.217917 (E_RNA) where: Base-Base interactions energy: -13.541 where: short stacking energy: -13.541 Base-Backbone interact. energy: 1.551 local terms energy: -20.228061 where: bonds (distance) C4'-P energy: -4.967 bonds (distance) P-C4' energy: -7.130 flat angles C4'-P-C4' energy: -4.618 flat angles P-C4'-P energy: -3.191 tors. eta vs tors. theta energy: -0.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 463 Temperature: 1.300000 Total energy: -30.655394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.655394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.655394 (E_RNA) where: Base-Base interactions energy: -8.798 where: short stacking energy: -8.798 Base-Backbone interact. energy: -0.000 local terms energy: -21.856893 where: bonds (distance) C4'-P energy: -4.673 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -5.482 flat angles P-C4'-P energy: -5.231 tors. eta vs tors. theta energy: -0.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 463 Temperature: 1.350000 Total energy: -33.591232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.591232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.591232 (E_RNA) where: Base-Base interactions energy: -7.128 where: short stacking energy: -7.128 Base-Backbone interact. energy: -0.000 local terms energy: -26.463116 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -5.807 flat angles P-C4'-P energy: -3.739 tors. eta vs tors. theta energy: -4.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 464 Temperature: 0.900000 Total energy: -39.487487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.487487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.487487 (E_RNA) where: Base-Base interactions energy: -17.741 where: short stacking energy: -17.741 Base-Backbone interact. energy: -0.010 local terms energy: -21.736630 where: bonds (distance) C4'-P energy: -4.719 bonds (distance) P-C4' energy: -4.677 flat angles C4'-P-C4' energy: -2.892 flat angles P-C4'-P energy: -4.388 tors. eta vs tors. theta energy: -5.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 464 Temperature: 0.950000 Total energy: -41.833929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.833929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.833929 (E_RNA) where: Base-Base interactions energy: -12.022 where: short stacking energy: -12.022 Base-Backbone interact. energy: -0.000 local terms energy: -29.811708 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -5.734 flat angles P-C4'-P energy: -4.277 tors. eta vs tors. theta energy: -7.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 464 Temperature: 1.000000 Total energy: -36.128496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.128496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.128496 (E_RNA) where: Base-Base interactions energy: -11.420 where: short stacking energy: -11.420 Base-Backbone interact. energy: -0.001 local terms energy: -24.707867 where: bonds (distance) C4'-P energy: -5.589 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -6.607 flat angles P-C4'-P energy: -4.377 tors. eta vs tors. theta energy: -2.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 464 Temperature: 1.050000 Total energy: -37.825327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.825327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.825327 (E_RNA) where: Base-Base interactions energy: -11.950 where: short stacking energy: -11.950 Base-Backbone interact. energy: -0.001 local terms energy: -25.874605 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -5.129 flat angles P-C4'-P energy: -4.058 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: 5, replica: 2 ===================================== Write number: 464 Temperature: 1.100000 Total energy: -41.249817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.249817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.249817 (E_RNA) where: Base-Base interactions energy: -17.328 where: short stacking energy: -17.328 Base-Backbone interact. energy: -0.000 local terms energy: -23.921767 where: bonds (distance) C4'-P energy: -6.462 bonds (distance) P-C4' energy: -5.364 flat angles C4'-P-C4' energy: -3.823 flat angles P-C4'-P energy: -5.010 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: 6, replica: 5 ===================================== Write number: 464 Temperature: 1.150000 Total energy: -31.820908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.820908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.820908 (E_RNA) where: Base-Base interactions energy: -9.226 where: short stacking energy: -9.226 Base-Backbone interact. energy: -0.100 local terms energy: -22.494590 where: bonds (distance) C4'-P energy: -5.766 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -4.298 flat angles P-C4'-P energy: -3.337 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: 7, replica: 10 ===================================== Write number: 464 Temperature: 1.200000 Total energy: -30.552020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.552020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.552020 (E_RNA) where: Base-Base interactions energy: -9.775 where: short stacking energy: -9.775 Base-Backbone interact. energy: -0.050 local terms energy: -20.727674 where: bonds (distance) C4'-P energy: -5.589 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -4.986 flat angles P-C4'-P energy: -0.055 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: 8, replica: 4 ===================================== Write number: 464 Temperature: 1.250000 Total energy: -29.804081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.804081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.804081 (E_RNA) where: Base-Base interactions energy: -9.323 where: short stacking energy: -9.323 Base-Backbone interact. energy: -0.018 local terms energy: -20.463498 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -6.417 flat angles C4'-P-C4' energy: -2.979 flat angles P-C4'-P energy: -2.108 tors. eta vs tors. theta energy: -3.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 464 Temperature: 1.300000 Total energy: -27.261531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.261531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.261531 (E_RNA) where: Base-Base interactions energy: -10.498 where: short stacking energy: -10.498 Base-Backbone interact. energy: -0.299 local terms energy: -16.464958 where: bonds (distance) C4'-P energy: -4.880 bonds (distance) P-C4' energy: -4.202 flat angles C4'-P-C4' energy: -4.974 flat angles P-C4'-P energy: -2.812 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: 9 ===================================== Write number: 464 Temperature: 1.350000 Total energy: -32.341596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.341596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.341596 (E_RNA) where: Base-Base interactions energy: -12.678 where: short stacking energy: -12.678 Base-Backbone interact. energy: -0.109 local terms energy: -19.554630 where: bonds (distance) C4'-P energy: -5.589 bonds (distance) P-C4' energy: -3.317 flat angles C4'-P-C4' energy: -2.487 flat angles P-C4'-P energy: -3.074 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: 1, replica: 6 ===================================== Write number: 465 Temperature: 0.900000 Total energy: -38.155504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.155504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.155504 (E_RNA) where: Base-Base interactions energy: -12.940 where: short stacking energy: -12.940 Base-Backbone interact. energy: -0.001 local terms energy: -25.214645 where: bonds (distance) C4'-P energy: -5.766 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -6.058 flat angles P-C4'-P energy: -3.656 tors. eta vs tors. theta energy: -3.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 465 Temperature: 0.950000 Total energy: -39.554104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.554104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.554104 (E_RNA) where: Base-Base interactions energy: -13.439 where: short stacking energy: -13.439 Base-Backbone interact. energy: -0.000 local terms energy: -26.115097 where: bonds (distance) C4'-P energy: -5.216 bonds (distance) P-C4' energy: -5.830 flat angles C4'-P-C4' energy: -5.391 flat angles P-C4'-P energy: -4.531 tors. eta vs tors. theta energy: -5.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 465 Temperature: 1.000000 Total energy: -32.137548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.137548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.137548 (E_RNA) where: Base-Base interactions energy: -7.946 where: short stacking energy: -7.946 Base-Backbone interact. energy: -0.076 local terms energy: -24.114920 where: bonds (distance) C4'-P energy: -4.905 bonds (distance) P-C4' energy: -7.144 flat angles C4'-P-C4' energy: -4.870 flat angles P-C4'-P energy: -4.927 tors. eta vs tors. theta energy: -2.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 465 Temperature: 1.050000 Total energy: -35.161605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.161605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.161605 (E_RNA) where: Base-Base interactions energy: -11.968 where: short stacking energy: -11.968 Base-Backbone interact. energy: -0.000 local terms energy: -23.193487 where: bonds (distance) C4'-P energy: -5.368 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -4.420 flat angles P-C4'-P energy: -2.251 tors. eta vs tors. theta energy: -4.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 465 Temperature: 1.100000 Total energy: -34.265361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.265361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.265361 (E_RNA) where: Base-Base interactions energy: -10.373 where: short stacking energy: -10.373 Base-Backbone interact. energy: -0.064 local terms energy: -23.828013 where: bonds (distance) C4'-P energy: -6.462 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -5.009 flat angles P-C4'-P energy: -3.973 tors. eta vs tors. theta energy: -2.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 465 Temperature: 1.150000 Total energy: -31.125285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.125285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.125285 (E_RNA) where: Base-Base interactions energy: -10.189 where: short stacking energy: -10.189 Base-Backbone interact. energy: -0.012 local terms energy: -20.924299 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -5.582 flat angles C4'-P-C4' energy: -4.257 flat angles P-C4'-P energy: -2.757 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: 5 ===================================== Write number: 465 Temperature: 1.200000 Total energy: -28.363173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.363173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.363173 (E_RNA) where: Base-Base interactions energy: -9.713 where: short stacking energy: -9.713 Base-Backbone interact. energy: -0.000 local terms energy: -18.649633 where: bonds (distance) C4'-P energy: -3.680 bonds (distance) P-C4' energy: -6.438 flat angles C4'-P-C4' energy: -3.021 flat angles P-C4'-P energy: -4.134 tors. eta vs tors. theta energy: -1.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 465 Temperature: 1.250000 Total energy: -32.361326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.361326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.361326 (E_RNA) where: Base-Base interactions energy: -13.252 where: short stacking energy: -13.614 Base-Backbone interact. energy: -1.074 local terms energy: -18.035222 where: bonds (distance) C4'-P energy: -5.837 bonds (distance) P-C4' energy: -5.146 flat angles C4'-P-C4' energy: -4.133 flat angles P-C4'-P energy: -1.321 tors. eta vs tors. theta energy: -1.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 465 Temperature: 1.300000 Total energy: -30.073581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.073581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.073581 (E_RNA) where: Base-Base interactions energy: -7.748 where: short stacking energy: -7.748 Base-Backbone interact. energy: -0.017 local terms energy: -22.308585 where: bonds (distance) C4'-P energy: -5.651 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -5.435 flat angles P-C4'-P energy: -4.168 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: 10, replica: 9 ===================================== Write number: 465 Temperature: 1.350000 Total energy: -34.030342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.030342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.030342 (E_RNA) where: Base-Base interactions energy: -10.633 where: short stacking energy: -10.633 Base-Backbone interact. energy: -0.000 local terms energy: -23.397616 where: bonds (distance) C4'-P energy: -5.402 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -4.786 flat angles P-C4'-P energy: -2.780 tors. eta vs tors. theta energy: -4.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 466 Temperature: 0.900000 Total energy: -42.001155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.001155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.001155 (E_RNA) where: Base-Base interactions energy: -18.018 where: short stacking energy: -18.018 Base-Backbone interact. energy: -0.000 local terms energy: -23.983383 where: bonds (distance) C4'-P energy: -5.617 bonds (distance) P-C4' energy: -6.457 flat angles C4'-P-C4' energy: -3.314 flat angles P-C4'-P energy: -3.823 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: 2, replica: 6 ===================================== Write number: 466 Temperature: 0.950000 Total energy: -38.364139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.364139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.364139 (E_RNA) where: Base-Base interactions energy: -13.197 where: short stacking energy: -13.197 Base-Backbone interact. energy: -0.021 local terms energy: -25.145556 where: bonds (distance) C4'-P energy: -5.882 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.936 flat angles P-C4'-P energy: -4.883 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: 3, replica: 2 ===================================== Write number: 466 Temperature: 1.000000 Total energy: -40.251509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.251509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.251509 (E_RNA) where: Base-Base interactions energy: -15.084 where: short stacking energy: -15.084 Base-Backbone interact. energy: -0.000 local terms energy: -25.167749 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -6.206 flat angles C4'-P-C4' energy: -5.329 flat angles P-C4'-P energy: -3.420 tors. eta vs tors. theta energy: -4.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 466 Temperature: 1.050000 Total energy: -35.255852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.255852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.255852 (E_RNA) where: Base-Base interactions energy: -12.500 where: short stacking energy: -12.500 Base-Backbone interact. energy: -0.099 local terms energy: -22.656925 where: bonds (distance) C4'-P energy: -4.135 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -6.048 flat angles P-C4'-P energy: -3.997 tors. eta vs tors. theta energy: -1.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 466 Temperature: 1.100000 Total energy: -35.728436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.728436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.728436 (E_RNA) where: Base-Base interactions energy: -14.921 where: short stacking energy: -14.921 Base-Backbone interact. energy: -0.000 local terms energy: -20.807736 where: bonds (distance) C4'-P energy: -5.244 bonds (distance) P-C4' energy: -2.895 flat angles C4'-P-C4' energy: -5.955 flat angles P-C4'-P energy: -4.501 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: 6, replica: 1 ===================================== Write number: 466 Temperature: 1.150000 Total energy: -39.158764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.158764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.158764 (E_RNA) where: Base-Base interactions energy: -11.041 where: short stacking energy: -11.041 Base-Backbone interact. energy: -0.000 local terms energy: -28.117916 where: bonds (distance) C4'-P energy: -3.957 bonds (distance) P-C4' energy: -6.873 flat angles C4'-P-C4' energy: -6.627 flat angles P-C4'-P energy: -4.779 tors. eta vs tors. theta energy: -5.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 466 Temperature: 1.200000 Total energy: -29.439731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.439731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.439731 (E_RNA) where: Base-Base interactions energy: -8.471 where: short stacking energy: -8.471 Base-Backbone interact. energy: -0.402 local terms energy: -20.566206 where: bonds (distance) C4'-P energy: -5.721 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.234 flat angles P-C4'-P energy: -1.949 tors. eta vs tors. theta energy: -0.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 466 Temperature: 1.250000 Total energy: -33.771487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.771487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.771487 (E_RNA) where: Base-Base interactions energy: -13.506 where: short stacking energy: -13.506 Base-Backbone interact. energy: -0.003 local terms energy: -20.261888 where: bonds (distance) C4'-P energy: -1.490 bonds (distance) P-C4' energy: -4.681 flat angles C4'-P-C4' energy: -5.371 flat angles P-C4'-P energy: -4.105 tors. eta vs tors. theta energy: -4.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 466 Temperature: 1.300000 Total energy: -33.708774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.708774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.708774 (E_RNA) where: Base-Base interactions energy: -13.412 where: short stacking energy: -13.412 Base-Backbone interact. energy: -0.071 local terms energy: -20.226083 where: bonds (distance) C4'-P energy: -4.206 bonds (distance) P-C4' energy: -5.534 flat angles C4'-P-C4' energy: -5.799 flat angles P-C4'-P energy: -2.639 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: 10, replica: 9 ===================================== Write number: 466 Temperature: 1.350000 Total energy: -35.787709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.787709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.787709 (E_RNA) where: Base-Base interactions energy: -13.461 where: short stacking energy: -13.461 Base-Backbone interact. energy: -0.000 local terms energy: -22.326993 where: bonds (distance) C4'-P energy: -5.411 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -4.319 flat angles P-C4'-P energy: -2.568 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: 7 ===================================== Write number: 467 Temperature: 0.900000 Total energy: -42.616872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.616872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.616872 (E_RNA) where: Base-Base interactions energy: -16.883 where: short stacking energy: -16.883 Base-Backbone interact. energy: -0.006 local terms energy: -25.727294 where: bonds (distance) C4'-P energy: -4.168 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -6.074 flat angles P-C4'-P energy: -3.993 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: 2, replica: 6 ===================================== Write number: 467 Temperature: 0.950000 Total energy: -40.743407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.743407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.743407 (E_RNA) where: Base-Base interactions energy: -14.885 where: short stacking energy: -14.885 Base-Backbone interact. energy: -0.005 local terms energy: -25.853923 where: bonds (distance) C4'-P energy: -5.650 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -5.433 flat angles P-C4'-P energy: -5.522 tors. eta vs tors. theta energy: -2.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 467 Temperature: 1.000000 Total energy: -37.257888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.257888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.257888 (E_RNA) where: Base-Base interactions energy: -15.126 where: short stacking energy: -15.126 Base-Backbone interact. energy: -0.062 local terms energy: -22.069790 where: bonds (distance) C4'-P energy: -4.789 bonds (distance) P-C4' energy: -5.534 flat angles C4'-P-C4' energy: -6.148 flat angles P-C4'-P energy: -3.702 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: 4, replica: 10 ===================================== Write number: 467 Temperature: 1.050000 Total energy: -36.162311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.162311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.162311 (E_RNA) where: Base-Base interactions energy: -11.665 where: short stacking energy: -11.665 Base-Backbone interact. energy: -0.001 local terms energy: -24.495812 where: bonds (distance) C4'-P energy: -4.872 bonds (distance) P-C4' energy: -6.206 flat angles C4'-P-C4' energy: -5.747 flat angles P-C4'-P energy: -3.695 tors. eta vs tors. theta energy: -3.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 467 Temperature: 1.100000 Total energy: -32.532747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.532747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.532747 (E_RNA) where: Base-Base interactions energy: -11.026 where: short stacking energy: -11.466 Base-Backbone interact. energy: -0.000 local terms energy: -21.506479 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -4.849 flat angles C4'-P-C4' energy: -4.311 flat angles P-C4'-P energy: -3.948 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: 6, replica: 5 ===================================== Write number: 467 Temperature: 1.150000 Total energy: -37.282969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.282969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.282969 (E_RNA) where: Base-Base interactions energy: -13.883 where: short stacking energy: -13.883 Base-Backbone interact. energy: -0.001 local terms energy: -23.399385 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -5.152 flat angles C4'-P-C4' energy: -4.878 flat angles P-C4'-P energy: -4.665 tors. eta vs tors. theta energy: -2.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 467 Temperature: 1.200000 Total energy: -36.052027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.052027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.052027 (E_RNA) where: Base-Base interactions energy: -12.888 where: short stacking energy: -12.888 Base-Backbone interact. energy: -0.001 local terms energy: -23.163913 where: bonds (distance) C4'-P energy: -5.091 bonds (distance) P-C4' energy: -5.209 flat angles C4'-P-C4' energy: -5.381 flat angles P-C4'-P energy: -3.539 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: 8, replica: 4 ===================================== Write number: 467 Temperature: 1.250000 Total energy: -33.015990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.015990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.015990 (E_RNA) where: Base-Base interactions energy: -12.180 where: short stacking energy: -12.180 Base-Backbone interact. energy: -0.012 local terms energy: -20.823656 where: bonds (distance) C4'-P energy: -4.223 bonds (distance) P-C4' energy: -6.122 flat angles C4'-P-C4' energy: -5.077 flat angles P-C4'-P energy: -2.341 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: 9, replica: 8 ===================================== Write number: 467 Temperature: 1.300000 Total energy: -34.696937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.696937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.696937 (E_RNA) where: Base-Base interactions energy: -12.367 where: short stacking energy: -12.367 Base-Backbone interact. energy: -0.022 local terms energy: -22.307820 where: bonds (distance) C4'-P energy: -4.983 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -4.407 flat angles P-C4'-P energy: -1.221 tors. eta vs tors. theta energy: -5.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 467 Temperature: 1.350000 Total energy: -33.875996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.875996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.875996 (E_RNA) where: Base-Base interactions energy: -8.670 where: short stacking energy: -8.670 Base-Backbone interact. energy: -0.072 local terms energy: -25.134489 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -5.851 flat angles P-C4'-P energy: -4.189 tors. eta vs tors. theta energy: -2.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 468 Temperature: 0.900000 Total energy: -41.052119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.052119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.052119 (E_RNA) where: Base-Base interactions energy: -16.344 where: short stacking energy: -16.344 Base-Backbone interact. energy: -0.000 local terms energy: -24.707511 where: bonds (distance) C4'-P energy: -5.357 bonds (distance) P-C4' energy: -6.199 flat angles C4'-P-C4' energy: -4.965 flat angles P-C4'-P energy: -4.154 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: 2, replica: 6 ===================================== Write number: 468 Temperature: 0.950000 Total energy: -39.747105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.747105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.747105 (E_RNA) where: Base-Base interactions energy: -16.998 where: short stacking energy: -11.874 Base-Backbone interact. energy: -0.010 local terms energy: -22.739088 where: bonds (distance) C4'-P energy: -5.191 bonds (distance) P-C4' energy: -6.457 flat angles C4'-P-C4' energy: -4.167 flat angles P-C4'-P energy: -5.270 tors. eta vs tors. theta energy: -1.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 468 Temperature: 1.000000 Total energy: -36.928512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.928512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.928512 (E_RNA) where: Base-Base interactions energy: -12.692 where: short stacking energy: -12.692 Base-Backbone interact. energy: -0.000 local terms energy: -24.236121 where: bonds (distance) C4'-P energy: -1.093 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -6.696 flat angles P-C4'-P energy: -4.687 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: 4, replica: 2 ===================================== Write number: 468 Temperature: 1.050000 Total energy: -33.743747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.743747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.743747 (E_RNA) where: Base-Base interactions energy: -13.491 where: short stacking energy: -13.491 Base-Backbone interact. energy: -0.054 local terms energy: -20.198652 where: bonds (distance) C4'-P energy: -3.440 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -5.501 flat angles P-C4'-P energy: -4.125 tors. eta vs tors. theta energy: 0.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 468 Temperature: 1.100000 Total energy: -33.540638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.540638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.540638 (E_RNA) where: Base-Base interactions energy: -13.597 where: short stacking energy: -13.597 Base-Backbone interact. energy: -0.003 local terms energy: -19.941431 where: bonds (distance) C4'-P energy: -5.990 bonds (distance) P-C4' energy: -5.497 flat angles C4'-P-C4' energy: -4.687 flat angles P-C4'-P energy: -2.035 tors. eta vs tors. theta energy: -1.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 468 Temperature: 1.150000 Total energy: -30.939579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.939579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.939579 (E_RNA) where: Base-Base interactions energy: -5.298 where: short stacking energy: -5.298 Base-Backbone interact. energy: -0.000 local terms energy: -25.641330 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -6.368 flat angles P-C4'-P energy: -2.738 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: 7, replica: 4 ===================================== Write number: 468 Temperature: 1.200000 Total energy: -29.529630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.529630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.529630 (E_RNA) where: Base-Base interactions energy: -9.939 where: short stacking energy: -9.939 Base-Backbone interact. energy: -0.002 local terms energy: -19.588934 where: bonds (distance) C4'-P energy: -5.518 bonds (distance) P-C4' energy: -6.438 flat angles C4'-P-C4' energy: -3.297 flat angles P-C4'-P energy: -4.405 tors. eta vs tors. theta energy: 0.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 468 Temperature: 1.250000 Total energy: -31.544742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.544742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.544742 (E_RNA) where: Base-Base interactions energy: -9.125 where: short stacking energy: -9.125 Base-Backbone interact. energy: -0.019 local terms energy: -22.400798 where: bonds (distance) C4'-P energy: -6.105 bonds (distance) P-C4' energy: -5.040 flat angles C4'-P-C4' energy: -4.723 flat angles P-C4'-P energy: -3.007 tors. eta vs tors. theta energy: -3.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 468 Temperature: 1.300000 Total energy: -30.488627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.488627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.488627 (E_RNA) where: Base-Base interactions energy: -8.393 where: short stacking energy: -8.393 Base-Backbone interact. energy: -0.004 local terms energy: -22.091504 where: bonds (distance) C4'-P energy: -5.750 bonds (distance) P-C4' energy: -5.763 flat angles C4'-P-C4' energy: -6.017 flat angles P-C4'-P energy: -3.385 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: 10, replica: 8 ===================================== Write number: 468 Temperature: 1.350000 Total energy: -29.616356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.616356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.616356 (E_RNA) where: Base-Base interactions energy: -5.650 where: short stacking energy: -5.650 Base-Backbone interact. energy: -0.000 local terms energy: -23.966518 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -6.417 flat angles C4'-P-C4' energy: -5.161 flat angles P-C4'-P energy: -5.040 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: 1, replica: 7 ===================================== Write number: 469 Temperature: 0.900000 Total energy: -43.809297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.809297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.809297 (E_RNA) where: Base-Base interactions energy: -21.502 where: short stacking energy: -17.252 Base-Backbone interact. energy: 0.818 local terms energy: -23.124674 where: bonds (distance) C4'-P energy: -5.075 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -3.901 flat angles P-C4'-P energy: -4.420 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: 2, replica: 10 ===================================== Write number: 469 Temperature: 0.950000 Total energy: -42.978854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.978854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.978854 (E_RNA) where: Base-Base interactions energy: -14.990 where: short stacking energy: -14.990 Base-Backbone interact. energy: -0.003 local terms energy: -27.985580 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -5.886 flat angles C4'-P-C4' energy: -6.309 flat angles P-C4'-P energy: -4.341 tors. eta vs tors. theta energy: -5.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 469 Temperature: 1.000000 Total energy: -39.449108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.449108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.449108 (E_RNA) where: Base-Base interactions energy: -13.754 where: short stacking energy: -13.754 Base-Backbone interact. energy: -0.001 local terms energy: -25.694774 where: bonds (distance) C4'-P energy: -5.091 bonds (distance) P-C4' energy: -6.873 flat angles C4'-P-C4' energy: -6.187 flat angles P-C4'-P energy: -2.013 tors. eta vs tors. theta energy: -5.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 469 Temperature: 1.050000 Total energy: -36.543072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.543072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.543072 (E_RNA) where: Base-Base interactions energy: -16.406 where: short stacking energy: -16.406 Base-Backbone interact. energy: -0.006 local terms energy: -20.131068 where: bonds (distance) C4'-P energy: -3.245 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -4.572 flat angles P-C4'-P energy: -2.620 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: 2 ===================================== Write number: 469 Temperature: 1.100000 Total energy: -34.885210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.885210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.885210 (E_RNA) where: Base-Base interactions energy: -12.472 where: short stacking energy: -12.472 Base-Backbone interact. energy: -0.004 local terms energy: -22.409520 where: bonds (distance) C4'-P energy: -5.518 bonds (distance) P-C4' energy: -5.336 flat angles C4'-P-C4' energy: -5.151 flat angles P-C4'-P energy: -4.072 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: 6, replica: 4 ===================================== Write number: 469 Temperature: 1.150000 Total energy: -33.868131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.868131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.868131 (E_RNA) where: Base-Base interactions energy: -14.642 where: short stacking energy: -14.642 Base-Backbone interact. energy: -0.000 local terms energy: -19.226205 where: bonds (distance) C4'-P energy: -4.268 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -5.028 flat angles P-C4'-P energy: -1.308 tors. eta vs tors. theta energy: -2.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 469 Temperature: 1.200000 Total energy: -32.874491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.874491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.874491 (E_RNA) where: Base-Base interactions energy: -10.289 where: short stacking energy: -10.289 Base-Backbone interact. energy: -0.000 local terms energy: -22.585465 where: bonds (distance) C4'-P energy: -3.994 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -5.501 flat angles P-C4'-P energy: -3.813 tors. eta vs tors. theta energy: -3.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 469 Temperature: 1.250000 Total energy: -31.637169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.637169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.637169 (E_RNA) where: Base-Base interactions energy: -9.046 where: short stacking energy: -7.681 Base-Backbone interact. energy: -0.155 local terms energy: -22.435647 where: bonds (distance) C4'-P energy: -5.766 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -5.758 flat angles P-C4'-P energy: -1.039 tors. eta vs tors. theta energy: -3.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 469 Temperature: 1.300000 Total energy: -25.867676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.867676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.867676 (E_RNA) where: Base-Base interactions energy: -8.889 where: short stacking energy: -8.889 Base-Backbone interact. energy: -0.024 local terms energy: -16.955039 where: bonds (distance) C4'-P energy: -4.755 bonds (distance) P-C4' energy: -4.829 flat angles C4'-P-C4' energy: -2.301 flat angles P-C4'-P energy: -4.368 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: 8 ===================================== Write number: 469 Temperature: 1.350000 Total energy: -33.043545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.043545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.043545 (E_RNA) where: Base-Base interactions energy: -11.377 where: short stacking energy: -11.377 Base-Backbone interact. energy: -0.000 local terms energy: -21.666302 where: bonds (distance) C4'-P energy: -4.888 bonds (distance) P-C4' energy: -7.130 flat angles C4'-P-C4' energy: -4.146 flat angles P-C4'-P energy: -3.741 tors. eta vs tors. theta energy: -1.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 470 Temperature: 0.900000 Total energy: -39.980203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.980203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.980203 (E_RNA) where: Base-Base interactions energy: -15.557 where: short stacking energy: -15.557 Base-Backbone interact. energy: -0.000 local terms energy: -24.422995 where: bonds (distance) C4'-P energy: -5.651 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -5.471 flat angles P-C4'-P energy: -4.195 tors. eta vs tors. theta energy: -2.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 470 Temperature: 0.950000 Total energy: -43.555414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.555414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.555414 (E_RNA) where: Base-Base interactions energy: -21.054 where: short stacking energy: -16.487 Base-Backbone interact. energy: -0.015 local terms energy: -22.486001 where: bonds (distance) C4'-P energy: -3.353 bonds (distance) P-C4' energy: -5.146 flat angles C4'-P-C4' energy: -4.962 flat angles P-C4'-P energy: -4.737 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: 3, replica: 5 ===================================== Write number: 470 Temperature: 1.000000 Total energy: -40.728239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.728239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.728239 (E_RNA) where: Base-Base interactions energy: -17.935 where: short stacking energy: -17.935 Base-Backbone interact. energy: -0.001 local terms energy: -22.792883 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -4.624 flat angles C4'-P-C4' energy: -5.066 flat angles P-C4'-P energy: -4.059 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: 4, replica: 6 ===================================== Write number: 470 Temperature: 1.050000 Total energy: -40.000141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.000141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.000141 (E_RNA) where: Base-Base interactions energy: -15.504 where: short stacking energy: -15.504 Base-Backbone interact. energy: -0.007 local terms energy: -24.489072 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -5.698 flat angles P-C4'-P energy: -4.255 tors. eta vs tors. theta energy: -2.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 470 Temperature: 1.100000 Total energy: -31.968890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.968890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.968890 (E_RNA) where: Base-Base interactions energy: -11.560 where: short stacking energy: -11.560 Base-Backbone interact. energy: -0.006 local terms energy: -20.402896 where: bonds (distance) C4'-P energy: -4.322 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -4.193 flat angles P-C4'-P energy: -1.759 tors. eta vs tors. theta energy: -2.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 470 Temperature: 1.150000 Total energy: -32.944560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.944560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.944560 (E_RNA) where: Base-Base interactions energy: -13.016 where: short stacking energy: -13.016 Base-Backbone interact. energy: -1.053 local terms energy: -18.875041 where: bonds (distance) C4'-P energy: -3.059 bonds (distance) P-C4' energy: -3.453 flat angles C4'-P-C4' energy: -5.919 flat angles P-C4'-P energy: -4.303 tors. eta vs tors. theta energy: -2.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 470 Temperature: 1.200000 Total energy: -37.656584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.656584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.656584 (E_RNA) where: Base-Base interactions energy: -9.885 where: short stacking energy: -9.885 Base-Backbone interact. energy: -0.003 local terms energy: -27.768408 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -6.080 flat angles P-C4'-P energy: -4.371 tors. eta vs tors. theta energy: -4.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 470 Temperature: 1.250000 Total energy: -29.625648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.625648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.625648 (E_RNA) where: Base-Base interactions energy: -8.207 where: short stacking energy: -8.375 Base-Backbone interact. energy: -0.101 local terms energy: -21.317507 where: bonds (distance) C4'-P energy: -4.959 bonds (distance) P-C4' energy: -5.248 flat angles C4'-P-C4' energy: -5.355 flat angles P-C4'-P energy: -4.907 tors. eta vs tors. theta energy: -0.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 470 Temperature: 1.300000 Total energy: -32.473367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.473367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.473367 (E_RNA) where: Base-Base interactions energy: -12.866 where: short stacking energy: -12.866 Base-Backbone interact. energy: -0.800 local terms energy: -18.807816 where: bonds (distance) C4'-P energy: -2.019 bonds (distance) P-C4' energy: -7.144 flat angles C4'-P-C4' energy: -5.674 flat angles P-C4'-P energy: -3.127 tors. eta vs tors. theta energy: -0.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 470 Temperature: 1.350000 Total energy: -29.418413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.418413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.418413 (E_RNA) where: Base-Base interactions energy: -10.690 where: short stacking energy: -10.690 Base-Backbone interact. energy: -0.033 local terms energy: -18.694848 where: bonds (distance) C4'-P energy: -4.665 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -3.691 flat angles P-C4'-P energy: -2.655 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: 10 ===================================== Write number: 471 Temperature: 0.900000 Total energy: -38.175078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.175078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.175078 (E_RNA) where: Base-Base interactions energy: -15.891 where: short stacking energy: -15.891 Base-Backbone interact. energy: -0.003 local terms energy: -22.281216 where: bonds (distance) C4'-P energy: -5.998 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -4.278 flat angles P-C4'-P energy: -3.819 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: 2, replica: 5 ===================================== Write number: 471 Temperature: 0.950000 Total energy: -40.989944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.989944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.989944 (E_RNA) where: Base-Base interactions energy: -17.471 where: short stacking energy: -17.471 Base-Backbone interact. energy: -0.001 local terms energy: -23.517674 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.421 flat angles P-C4'-P energy: -4.944 tors. eta vs tors. theta energy: -0.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 471 Temperature: 1.000000 Total energy: -36.766645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.766645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.766645 (E_RNA) where: Base-Base interactions energy: -13.328 where: short stacking energy: -13.328 Base-Backbone interact. energy: -0.058 local terms energy: -23.380336 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -5.039 flat angles P-C4'-P energy: -2.921 tors. eta vs tors. theta energy: -3.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 471 Temperature: 1.050000 Total energy: -41.270504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.270504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.270504 (E_RNA) where: Base-Base interactions energy: -13.869 where: short stacking energy: -13.869 Base-Backbone interact. energy: -0.001 local terms energy: -27.400733 where: bonds (distance) C4'-P energy: -5.207 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -6.151 flat angles P-C4'-P energy: -4.127 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: 5, replica: 6 ===================================== Write number: 471 Temperature: 1.100000 Total energy: -36.487527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.487527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.487527 (E_RNA) where: Base-Base interactions energy: -13.396 where: short stacking energy: -13.396 Base-Backbone interact. energy: -0.005 local terms energy: -23.087286 where: bonds (distance) C4'-P energy: -4.242 bonds (distance) P-C4' energy: -4.854 flat angles C4'-P-C4' energy: -6.660 flat angles P-C4'-P energy: -4.203 tors. eta vs tors. theta energy: -3.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 471 Temperature: 1.150000 Total energy: -38.470182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.470182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.470182 (E_RNA) where: Base-Base interactions energy: -13.998 where: short stacking energy: -13.998 Base-Backbone interact. energy: -0.000 local terms energy: -24.471851 where: bonds (distance) C4'-P energy: -5.473 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -5.300 flat angles P-C4'-P energy: -3.484 tors. eta vs tors. theta energy: -4.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 471 Temperature: 1.200000 Total energy: -27.465057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.465057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.465057 (E_RNA) where: Base-Base interactions energy: -3.473 where: short stacking energy: -3.473 Base-Backbone interact. energy: -0.105 local terms energy: -23.886772 where: bonds (distance) C4'-P energy: -6.044 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -6.161 flat angles P-C4'-P energy: -4.845 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: 8, replica: 8 ===================================== Write number: 471 Temperature: 1.250000 Total energy: -25.792175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.792175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.792175 (E_RNA) where: Base-Base interactions energy: -4.202 where: short stacking energy: -4.202 Base-Backbone interact. energy: -0.096 local terms energy: -21.494690 where: bonds (distance) C4'-P energy: -5.055 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.568 flat angles P-C4'-P energy: -4.790 tors. eta vs tors. theta energy: 0.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 471 Temperature: 1.300000 Total energy: -27.259281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.259281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.259281 (E_RNA) where: Base-Base interactions energy: -9.714 where: short stacking energy: -9.714 Base-Backbone interact. energy: 0.048 local terms energy: -17.593554 where: bonds (distance) C4'-P energy: -4.570 bonds (distance) P-C4' energy: -3.969 flat angles C4'-P-C4' energy: -3.870 flat angles P-C4'-P energy: -2.798 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: 10, replica: 1 ===================================== Write number: 471 Temperature: 1.350000 Total energy: -34.907067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.907067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.907067 (E_RNA) where: Base-Base interactions energy: -13.049 where: short stacking energy: -13.049 Base-Backbone interact. energy: -0.027 local terms energy: -21.831077 where: bonds (distance) C4'-P energy: -5.766 bonds (distance) P-C4' energy: -4.865 flat angles C4'-P-C4' energy: -4.533 flat angles P-C4'-P energy: -4.081 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: 1, replica: 5 ===================================== Write number: 472 Temperature: 0.900000 Total energy: -38.652488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.652488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.652488 (E_RNA) where: Base-Base interactions energy: -12.387 where: short stacking energy: -12.387 Base-Backbone interact. energy: -0.000 local terms energy: -26.265535 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -6.405 flat angles P-C4'-P energy: -3.956 tors. eta vs tors. theta energy: -3.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 472 Temperature: 0.950000 Total energy: -38.516843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.516843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.516843 (E_RNA) where: Base-Base interactions energy: -13.859 where: short stacking energy: -13.859 Base-Backbone interact. energy: -0.000 local terms energy: -24.658181 where: bonds (distance) C4'-P energy: -5.216 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -6.253 flat angles P-C4'-P energy: -3.479 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: 3, replica: 4 ===================================== Write number: 472 Temperature: 1.000000 Total energy: -41.230944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.230944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.230944 (E_RNA) where: Base-Base interactions energy: -16.453 where: short stacking energy: -16.453 Base-Backbone interact. energy: -0.068 local terms energy: -24.710789 where: bonds (distance) C4'-P energy: -6.105 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -6.347 flat angles P-C4'-P energy: -3.733 tors. eta vs tors. theta energy: -2.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 472 Temperature: 1.050000 Total energy: -35.084068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.084068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.084068 (E_RNA) where: Base-Base interactions energy: -13.251 where: short stacking energy: -13.251 Base-Backbone interact. energy: -0.100 local terms energy: -21.732979 where: bonds (distance) C4'-P energy: -3.278 bonds (distance) P-C4' energy: -6.417 flat angles C4'-P-C4' energy: -5.638 flat angles P-C4'-P energy: -2.224 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: 5, replica: 6 ===================================== Write number: 472 Temperature: 1.100000 Total energy: -37.082704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.082704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.082704 (E_RNA) where: Base-Base interactions energy: -12.912 where: short stacking energy: -12.912 Base-Backbone interact. energy: -0.007 local terms energy: -24.162966 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -5.923 flat angles P-C4'-P energy: -2.661 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: 6, replica: 9 ===================================== Write number: 472 Temperature: 1.150000 Total energy: -37.732485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.732485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.732485 (E_RNA) where: Base-Base interactions energy: -11.367 where: short stacking energy: -11.367 Base-Backbone interact. energy: -0.000 local terms energy: -26.365042 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -5.379 flat angles P-C4'-P energy: -4.012 tors. eta vs tors. theta energy: -5.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 472 Temperature: 1.200000 Total energy: -33.974202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.974202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.974202 (E_RNA) where: Base-Base interactions energy: -13.121 where: short stacking energy: -13.121 Base-Backbone interact. energy: -0.000 local terms energy: -20.853453 where: bonds (distance) C4'-P energy: -6.462 bonds (distance) P-C4' energy: -2.068 flat angles C4'-P-C4' energy: -4.304 flat angles P-C4'-P energy: -5.116 tors. eta vs tors. theta energy: -2.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 472 Temperature: 1.250000 Total energy: -32.479612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.479612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.479612 (E_RNA) where: Base-Base interactions energy: -12.868 where: short stacking energy: -12.868 Base-Backbone interact. energy: -0.000 local terms energy: -19.612065 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -4.800 flat angles P-C4'-P energy: -2.187 tors. eta vs tors. theta energy: -2.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 472 Temperature: 1.300000 Total energy: -28.746802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.746802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.746802 (E_RNA) where: Base-Base interactions energy: -10.999 where: short stacking energy: -10.999 Base-Backbone interact. energy: 0.260 local terms energy: -18.008325 where: bonds (distance) C4'-P energy: -4.880 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -3.355 flat angles P-C4'-P energy: -5.330 tors. eta vs tors. theta energy: 1.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 472 Temperature: 1.350000 Total energy: -32.397140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.397140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.397140 (E_RNA) where: Base-Base interactions energy: -12.009 where: short stacking energy: -12.009 Base-Backbone interact. energy: -0.009 local terms energy: -20.378991 where: bonds (distance) C4'-P energy: -4.115 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -5.811 flat angles P-C4'-P energy: -3.342 tors. eta vs tors. theta energy: -0.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 473 Temperature: 0.900000 Total energy: -44.884412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.884412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.884412 (E_RNA) where: Base-Base interactions energy: -17.420 where: short stacking energy: -17.420 Base-Backbone interact. energy: -0.000 local terms energy: -27.464784 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -4.028 flat angles P-C4'-P energy: -4.591 tors. eta vs tors. theta energy: -5.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 473 Temperature: 0.950000 Total energy: -39.762251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.762251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.762251 (E_RNA) where: Base-Base interactions energy: -13.511 where: short stacking energy: -13.511 Base-Backbone interact. energy: -0.000 local terms energy: -26.250726 where: bonds (distance) C4'-P energy: -6.105 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -5.695 flat angles P-C4'-P energy: -3.090 tors. eta vs tors. theta energy: -5.140 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: 10 ===================================== Write number: 473 Temperature: 1.000000 Total energy: -37.201616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.201616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.201616 (E_RNA) where: Base-Base interactions energy: -11.564 where: short stacking energy: -11.564 Base-Backbone interact. energy: -0.000 local terms energy: -25.637170 where: bonds (distance) C4'-P energy: -4.967 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -5.517 flat angles P-C4'-P energy: -3.655 tors. eta vs tors. theta energy: -4.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 473 Temperature: 1.050000 Total energy: -35.112308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.112308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.112308 (E_RNA) where: Base-Base interactions energy: -11.874 where: short stacking energy: -11.874 Base-Backbone interact. energy: -0.001 local terms energy: -23.237273 where: bonds (distance) C4'-P energy: -4.301 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -3.333 flat angles P-C4'-P energy: -4.270 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: 5, replica: 7 ===================================== Write number: 473 Temperature: 1.100000 Total energy: -35.621197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.621197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.621197 (E_RNA) where: Base-Base interactions energy: -12.779 where: short stacking energy: -12.779 Base-Backbone interact. energy: -0.000 local terms energy: -22.842528 where: bonds (distance) C4'-P energy: -5.225 bonds (distance) P-C4' energy: -5.438 flat angles C4'-P-C4' energy: -5.144 flat angles P-C4'-P energy: -3.641 tors. eta vs tors. theta energy: -3.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 473 Temperature: 1.150000 Total energy: -31.471154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.471154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.471154 (E_RNA) where: Base-Base interactions energy: -11.246 where: short stacking energy: -11.246 Base-Backbone interact. energy: -0.017 local terms energy: -20.208003 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -5.276 flat angles C4'-P-C4' energy: -6.446 flat angles P-C4'-P energy: -1.811 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: 7, replica: 9 ===================================== Write number: 473 Temperature: 1.200000 Total energy: -33.556264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.556264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.556264 (E_RNA) where: Base-Base interactions energy: -12.339 where: short stacking energy: -12.339 Base-Backbone interact. energy: -0.090 local terms energy: -21.126766 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -3.638 flat angles C4'-P-C4' energy: -6.226 flat angles P-C4'-P energy: -3.638 tors. eta vs tors. theta energy: -1.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 473 Temperature: 1.250000 Total energy: -33.881745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.881745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.881745 (E_RNA) where: Base-Base interactions energy: -14.042 where: short stacking energy: -14.042 Base-Backbone interact. energy: -0.179 local terms energy: -19.660967 where: bonds (distance) C4'-P energy: -5.659 bonds (distance) P-C4' energy: -5.668 flat angles C4'-P-C4' energy: -4.718 flat angles P-C4'-P energy: -2.465 tors. eta vs tors. theta energy: -1.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 473 Temperature: 1.300000 Total energy: -29.870837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.870837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.870837 (E_RNA) where: Base-Base interactions energy: -9.273 where: short stacking energy: -9.273 Base-Backbone interact. energy: 0.673 local terms energy: -21.270792 where: bonds (distance) C4'-P energy: -4.028 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.637 flat angles P-C4'-P energy: -1.258 tors. eta vs tors. theta energy: -3.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 473 Temperature: 1.350000 Total energy: -29.545985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.545985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.545985 (E_RNA) where: Base-Base interactions energy: -8.140 where: short stacking energy: -8.140 Base-Backbone interact. energy: 0.447 local terms energy: -21.853128 where: bonds (distance) C4'-P energy: -4.748 bonds (distance) P-C4' energy: -5.336 flat angles C4'-P-C4' energy: -6.098 flat angles P-C4'-P energy: -4.943 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: 4 ===================================== Write number: 474 Temperature: 0.900000 Total energy: -40.793490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.793490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.793490 (E_RNA) where: Base-Base interactions energy: -13.475 where: short stacking energy: -13.475 Base-Backbone interact. energy: -0.000 local terms energy: -27.318778 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -6.075 flat angles P-C4'-P energy: -5.217 tors. eta vs tors. theta energy: -4.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 474 Temperature: 0.950000 Total energy: -44.134011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.134011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.134011 (E_RNA) where: Base-Base interactions energy: -19.944 where: short stacking energy: -16.301 Base-Backbone interact. energy: -0.007 local terms energy: -24.183208 where: bonds (distance) C4'-P energy: -2.463 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -6.072 flat angles P-C4'-P energy: -4.440 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: 3, replica: 10 ===================================== Write number: 474 Temperature: 1.000000 Total energy: -37.646705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.646705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.646705 (E_RNA) where: Base-Base interactions energy: -13.822 where: short stacking energy: -13.822 Base-Backbone interact. energy: -0.000 local terms energy: -23.824260 where: bonds (distance) C4'-P energy: -4.871 bonds (distance) P-C4' energy: -5.576 flat angles C4'-P-C4' energy: -4.573 flat angles P-C4'-P energy: -3.091 tors. eta vs tors. theta energy: -5.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 474 Temperature: 1.050000 Total energy: -37.853856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.853856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.853856 (E_RNA) where: Base-Base interactions energy: -14.718 where: short stacking energy: -14.718 Base-Backbone interact. energy: -0.010 local terms energy: -23.125840 where: bonds (distance) C4'-P energy: -5.199 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -5.819 flat angles P-C4'-P energy: -2.432 tors. eta vs tors. theta energy: -2.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 474 Temperature: 1.100000 Total energy: -37.560279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.560279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.560279 (E_RNA) where: Base-Base interactions energy: -14.967 where: short stacking energy: -14.967 Base-Backbone interact. energy: -0.002 local terms energy: -22.590988 where: bonds (distance) C4'-P energy: -4.284 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -3.872 flat angles P-C4'-P energy: -4.760 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: 7 ===================================== Write number: 474 Temperature: 1.150000 Total energy: -34.742285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.742285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.742285 (E_RNA) where: Base-Base interactions energy: -14.052 where: short stacking energy: -14.052 Base-Backbone interact. energy: -0.084 local terms energy: -20.606565 where: bonds (distance) C4'-P energy: -3.009 bonds (distance) P-C4' energy: -4.821 flat angles C4'-P-C4' energy: -5.753 flat angles P-C4'-P energy: -5.098 tors. eta vs tors. theta energy: -1.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 474 Temperature: 1.200000 Total energy: -32.257758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.257758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.257758 (E_RNA) where: Base-Base interactions energy: -10.595 where: short stacking energy: -10.595 Base-Backbone interact. energy: -0.166 local terms energy: -21.496772 where: bonds (distance) C4'-P energy: -4.897 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.289 flat angles P-C4'-P energy: -3.471 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: 8, replica: 9 ===================================== Write number: 474 Temperature: 1.250000 Total energy: -33.361208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.361208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.361208 (E_RNA) where: Base-Base interactions energy: -12.537 where: short stacking energy: -12.537 Base-Backbone interact. energy: -0.024 local terms energy: -20.800167 where: bonds (distance) C4'-P energy: -3.237 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -5.515 flat angles P-C4'-P energy: -3.845 tors. eta vs tors. theta energy: -2.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 474 Temperature: 1.300000 Total energy: -27.843403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.843403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.843403 (E_RNA) where: Base-Base interactions energy: -5.648 where: short stacking energy: -5.648 Base-Backbone interact. energy: -0.013 local terms energy: -22.182247 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -5.350 flat angles P-C4'-P energy: -3.626 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: 10, replica: 2 ===================================== Write number: 474 Temperature: 1.350000 Total energy: -30.651123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.651123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.651123 (E_RNA) where: Base-Base interactions energy: -9.117 where: short stacking energy: -9.117 Base-Backbone interact. energy: -0.099 local terms energy: -21.435527 where: bonds (distance) C4'-P energy: -5.518 bonds (distance) P-C4' energy: -6.407 flat angles C4'-P-C4' energy: -4.324 flat angles P-C4'-P energy: -3.054 tors. eta vs tors. theta energy: -2.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 475 Temperature: 0.900000 Total energy: -43.731646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.731646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.731646 (E_RNA) where: Base-Base interactions energy: -17.935 where: short stacking energy: -17.935 Base-Backbone interact. energy: -0.000 local terms energy: -25.796316 where: bonds (distance) C4'-P energy: -6.362 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -4.459 flat angles P-C4'-P energy: -4.271 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: 10 ===================================== Write number: 475 Temperature: 0.950000 Total energy: -41.933051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.933051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.933051 (E_RNA) where: Base-Base interactions energy: -15.541 where: short stacking energy: -15.541 Base-Backbone interact. energy: -0.000 local terms energy: -26.392125 where: bonds (distance) C4'-P energy: -5.411 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -4.917 flat angles P-C4'-P energy: -4.302 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: 3, replica: 5 ===================================== Write number: 475 Temperature: 1.000000 Total energy: -36.522961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.522961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.522961 (E_RNA) where: Base-Base interactions energy: -14.405 where: short stacking energy: -14.405 Base-Backbone interact. energy: -0.004 local terms energy: -22.114051 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -6.460 flat angles C4'-P-C4' energy: -4.859 flat angles P-C4'-P energy: -2.650 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: 8 ===================================== Write number: 475 Temperature: 1.050000 Total energy: -37.854105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.854105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.854105 (E_RNA) where: Base-Base interactions energy: -14.445 where: short stacking energy: -14.445 Base-Backbone interact. energy: -0.000 local terms energy: -23.408593 where: bonds (distance) C4'-P energy: -5.211 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -5.834 flat angles P-C4'-P energy: -3.408 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: 5, replica: 6 ===================================== Write number: 475 Temperature: 1.100000 Total energy: -36.406115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.406115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.406115 (E_RNA) where: Base-Base interactions energy: -12.827 where: short stacking energy: -12.827 Base-Backbone interact. energy: -0.000 local terms energy: -23.579362 where: bonds (distance) C4'-P energy: -4.921 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.493 flat angles P-C4'-P energy: -2.025 tors. eta vs tors. theta energy: -4.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 475 Temperature: 1.150000 Total energy: -31.398541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.398541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.398541 (E_RNA) where: Base-Base interactions energy: -9.406 where: short stacking energy: -9.406 Base-Backbone interact. energy: -0.000 local terms energy: -21.992228 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -6.153 flat angles C4'-P-C4' energy: -5.569 flat angles P-C4'-P energy: -2.845 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: 475 Temperature: 1.200000 Total energy: -34.653995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.653995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.653995 (E_RNA) where: Base-Base interactions energy: -12.364 where: short stacking energy: -12.364 Base-Backbone interact. energy: -0.005 local terms energy: -22.284851 where: bonds (distance) C4'-P energy: -4.097 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.546 flat angles P-C4'-P energy: -4.021 tors. eta vs tors. theta energy: -1.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 475 Temperature: 1.250000 Total energy: -33.543086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.543086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.543086 (E_RNA) where: Base-Base interactions energy: -12.999 where: short stacking energy: -12.999 Base-Backbone interact. energy: 0.727 local terms energy: -21.270911 where: bonds (distance) C4'-P energy: -3.353 bonds (distance) P-C4' energy: -5.864 flat angles C4'-P-C4' energy: -5.853 flat angles P-C4'-P energy: -3.136 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: 9, replica: 9 ===================================== Write number: 475 Temperature: 1.300000 Total energy: -27.371154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.371154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.371154 (E_RNA) where: Base-Base interactions energy: -8.927 where: short stacking energy: -8.927 Base-Backbone interact. energy: -0.070 local terms energy: -18.374536 where: bonds (distance) C4'-P energy: -4.872 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -3.339 flat angles P-C4'-P energy: -3.484 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: 10, replica: 2 ===================================== Write number: 475 Temperature: 1.350000 Total energy: -34.578474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.578474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.578474 (E_RNA) where: Base-Base interactions energy: -8.134 where: short stacking energy: -8.134 Base-Backbone interact. energy: -0.079 local terms energy: -26.365474 where: bonds (distance) C4'-P energy: -5.501 bonds (distance) P-C4' energy: -6.361 flat angles C4'-P-C4' energy: -6.554 flat angles P-C4'-P energy: -4.587 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: 1, replica: 10 ===================================== Write number: 476 Temperature: 0.900000 Total energy: -37.297293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.297293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.297293 (E_RNA) where: Base-Base interactions energy: -13.304 where: short stacking energy: -13.304 Base-Backbone interact. energy: -0.042 local terms energy: -23.950921 where: bonds (distance) C4'-P energy: -6.586 bonds (distance) P-C4' energy: -6.177 flat angles C4'-P-C4' energy: -5.676 flat angles P-C4'-P energy: -4.296 tors. eta vs tors. theta energy: -1.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 476 Temperature: 0.950000 Total energy: -39.195433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.195433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.195433 (E_RNA) where: Base-Base interactions energy: -13.774 where: short stacking energy: -13.774 Base-Backbone interact. energy: -0.000 local terms energy: -25.420752 where: bonds (distance) C4'-P energy: -4.764 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -6.357 flat angles P-C4'-P energy: -4.134 tors. eta vs tors. theta energy: -3.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 476 Temperature: 1.000000 Total energy: -36.717555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.717555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.717555 (E_RNA) where: Base-Base interactions energy: -14.213 where: short stacking energy: -14.213 Base-Backbone interact. energy: -0.005 local terms energy: -22.499540 where: bonds (distance) C4'-P energy: -6.014 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -5.591 flat angles P-C4'-P energy: -3.975 tors. eta vs tors. theta energy: -1.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 476 Temperature: 1.050000 Total energy: -37.009236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.009236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.009236 (E_RNA) where: Base-Base interactions energy: -16.174 where: short stacking energy: -16.174 Base-Backbone interact. energy: -0.017 local terms energy: -20.818544 where: bonds (distance) C4'-P energy: -4.632 bonds (distance) P-C4' energy: -3.818 flat angles C4'-P-C4' energy: -6.589 flat angles P-C4'-P energy: -3.193 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: 5, replica: 7 ===================================== Write number: 476 Temperature: 1.100000 Total energy: -33.759412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.759412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.759412 (E_RNA) where: Base-Base interactions energy: -9.438 where: short stacking energy: -9.438 Base-Backbone interact. energy: -0.001 local terms energy: -24.320317 where: bonds (distance) C4'-P energy: -5.775 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -4.581 flat angles P-C4'-P energy: -3.910 tors. eta vs tors. theta energy: -3.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 476 Temperature: 1.150000 Total energy: -31.103875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.103875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.103875 (E_RNA) where: Base-Base interactions energy: -10.980 where: short stacking energy: -10.980 Base-Backbone interact. energy: -0.012 local terms energy: -20.110995 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -5.537 flat angles C4'-P-C4' energy: -2.165 flat angles P-C4'-P energy: -4.241 tors. eta vs tors. theta energy: -2.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 476 Temperature: 1.200000 Total energy: -32.538822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.538822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.538822 (E_RNA) where: Base-Base interactions energy: -11.709 where: short stacking energy: -11.709 Base-Backbone interact. energy: -0.000 local terms energy: -20.829424 where: bonds (distance) C4'-P energy: -3.990 bonds (distance) P-C4' energy: -3.374 flat angles C4'-P-C4' energy: -4.207 flat angles P-C4'-P energy: -3.792 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: 8, replica: 1 ===================================== Write number: 476 Temperature: 1.250000 Total energy: -29.660800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.660800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.660800 (E_RNA) where: Base-Base interactions energy: -7.981 where: short stacking energy: -7.981 Base-Backbone interact. energy: -0.003 local terms energy: -21.676790 where: bonds (distance) C4'-P energy: -5.269 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -4.494 flat angles P-C4'-P energy: -2.800 tors. eta vs tors. theta energy: -2.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 476 Temperature: 1.300000 Total energy: -31.672216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.672216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.672216 (E_RNA) where: Base-Base interactions energy: -9.756 where: short stacking energy: -9.756 Base-Backbone interact. energy: -0.025 local terms energy: -21.891756 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -5.833 flat angles C4'-P-C4' energy: -6.585 flat angles P-C4'-P energy: -3.260 tors. eta vs tors. theta energy: -0.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 476 Temperature: 1.350000 Total energy: -28.822353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.822353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.822353 (E_RNA) where: Base-Base interactions energy: -7.664 where: short stacking energy: -7.664 Base-Backbone interact. energy: -0.009 local terms energy: -21.149648 where: bonds (distance) C4'-P energy: -5.543 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -5.283 flat angles P-C4'-P energy: -4.304 tors. eta vs tors. theta energy: 0.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 477 Temperature: 0.900000 Total energy: -39.133012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.133012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.133012 (E_RNA) where: Base-Base interactions energy: -14.726 where: short stacking energy: -14.726 Base-Backbone interact. energy: -0.017 local terms energy: -24.389667 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -5.588 flat angles P-C4'-P energy: -3.071 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: 2, replica: 8 ===================================== Write number: 477 Temperature: 0.950000 Total energy: -39.337413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.337413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.337413 (E_RNA) where: Base-Base interactions energy: -14.632 where: short stacking energy: -14.632 Base-Backbone interact. energy: -0.003 local terms energy: -24.702247 where: bonds (distance) C4'-P energy: -6.246 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -5.365 flat angles P-C4'-P energy: -4.742 tors. eta vs tors. theta energy: -2.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 477 Temperature: 1.000000 Total energy: -39.998243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.998243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.998243 (E_RNA) where: Base-Base interactions energy: -13.453 where: short stacking energy: -13.453 Base-Backbone interact. energy: -0.000 local terms energy: -26.545414 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -6.204 flat angles P-C4'-P energy: -3.527 tors. eta vs tors. theta energy: -4.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 477 Temperature: 1.050000 Total energy: -33.780982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.780982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.780982 (E_RNA) where: Base-Base interactions energy: -10.584 where: short stacking energy: -10.584 Base-Backbone interact. energy: 0.189 local terms energy: -23.386831 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -6.382 flat angles C4'-P-C4' energy: -5.896 flat angles P-C4'-P energy: -2.639 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: 5, replica: 5 ===================================== Write number: 477 Temperature: 1.100000 Total energy: -36.213259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.213259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.213259 (E_RNA) where: Base-Base interactions energy: -11.153 where: short stacking energy: -11.153 Base-Backbone interact. energy: -0.009 local terms energy: -25.050789 where: bonds (distance) C4'-P energy: -4.913 bonds (distance) P-C4' energy: -5.364 flat angles C4'-P-C4' energy: -5.162 flat angles P-C4'-P energy: -5.236 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: 6, replica: 3 ===================================== Write number: 477 Temperature: 1.150000 Total energy: -33.124995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.124995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.124995 (E_RNA) where: Base-Base interactions energy: -9.415 where: short stacking energy: -9.415 Base-Backbone interact. energy: -0.098 local terms energy: -23.612708 where: bonds (distance) C4'-P energy: -4.392 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -5.032 flat angles P-C4'-P energy: -4.677 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: 7, replica: 6 ===================================== Write number: 477 Temperature: 1.200000 Total energy: -35.538339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.538339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.538339 (E_RNA) where: Base-Base interactions energy: -13.056 where: short stacking energy: -13.056 Base-Backbone interact. energy: -0.000 local terms energy: -22.482422 where: bonds (distance) C4'-P energy: -3.899 bonds (distance) P-C4' energy: -5.103 flat angles C4'-P-C4' energy: -6.592 flat angles P-C4'-P energy: -3.542 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: 8, replica: 2 ===================================== Write number: 477 Temperature: 1.250000 Total energy: -35.256846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.256846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.256846 (E_RNA) where: Base-Base interactions energy: -12.492 where: short stacking energy: -12.492 Base-Backbone interact. energy: -0.015 local terms energy: -22.750537 where: bonds (distance) C4'-P energy: -5.285 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -6.241 flat angles P-C4'-P energy: -3.864 tors. eta vs tors. theta energy: -2.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 477 Temperature: 1.300000 Total energy: -27.375339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.375339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.375339 (E_RNA) where: Base-Base interactions energy: -5.144 where: short stacking energy: -5.144 Base-Backbone interact. energy: -0.075 local terms energy: -22.156397 where: bonds (distance) C4'-P energy: -5.998 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -4.470 flat angles P-C4'-P energy: -3.310 tors. eta vs tors. theta energy: -1.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 477 Temperature: 1.350000 Total energy: -27.078753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.078753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.078753 (E_RNA) where: Base-Base interactions energy: -5.436 where: short stacking energy: -5.436 Base-Backbone interact. energy: -0.026 local terms energy: -21.616566 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -5.547 flat angles P-C4'-P energy: -4.280 tors. eta vs tors. theta energy: 0.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 478 Temperature: 0.900000 Total energy: -40.059712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.059712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.059712 (E_RNA) where: Base-Base interactions energy: -13.808 where: short stacking energy: -13.808 Base-Backbone interact. energy: -0.000 local terms energy: -26.251557 where: bonds (distance) C4'-P energy: -5.393 bonds (distance) P-C4' energy: -6.189 flat angles C4'-P-C4' energy: -5.844 flat angles P-C4'-P energy: -4.191 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: 2, replica: 10 ===================================== Write number: 478 Temperature: 0.950000 Total energy: -37.549195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.549195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.549195 (E_RNA) where: Base-Base interactions energy: -14.637 where: short stacking energy: -14.637 Base-Backbone interact. energy: -0.000 local terms energy: -22.912489 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -4.656 flat angles C4'-P-C4' energy: -4.389 flat angles P-C4'-P energy: -4.456 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: 3, replica: 4 ===================================== Write number: 478 Temperature: 1.000000 Total energy: -41.105598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.105598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.105598 (E_RNA) where: Base-Base interactions energy: -14.260 where: short stacking energy: -14.260 Base-Backbone interact. energy: -0.094 local terms energy: -26.751793 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -7.130 flat angles C4'-P-C4' energy: -5.252 flat angles P-C4'-P energy: -4.195 tors. eta vs tors. theta energy: -3.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 478 Temperature: 1.050000 Total energy: -36.743867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.743867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.743867 (E_RNA) where: Base-Base interactions energy: -14.602 where: short stacking energy: -14.602 Base-Backbone interact. energy: -0.017 local terms energy: -22.125371 where: bonds (distance) C4'-P energy: -4.673 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -3.677 flat angles P-C4'-P energy: -3.613 tors. eta vs tors. theta energy: -3.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 478 Temperature: 1.100000 Total energy: -36.264010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.264010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.264010 (E_RNA) where: Base-Base interactions energy: -13.650 where: short stacking energy: -13.650 Base-Backbone interact. energy: -0.000 local terms energy: -22.613436 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -3.641 flat angles P-C4'-P energy: -4.138 tors. eta vs tors. theta energy: -1.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 478 Temperature: 1.150000 Total energy: -31.582395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.582395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.582395 (E_RNA) where: Base-Base interactions energy: -9.332 where: short stacking energy: -9.332 Base-Backbone interact. energy: -0.007 local terms energy: -22.243509 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -4.698 flat angles P-C4'-P energy: -4.154 tors. eta vs tors. theta energy: -2.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 478 Temperature: 1.200000 Total energy: -34.044299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.044299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.044299 (E_RNA) where: Base-Base interactions energy: -12.749 where: short stacking energy: -12.749 Base-Backbone interact. energy: -0.000 local terms energy: -21.295466 where: bonds (distance) C4'-P energy: -4.897 bonds (distance) P-C4' energy: -4.818 flat angles C4'-P-C4' energy: -5.288 flat angles P-C4'-P energy: -4.516 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: 8, replica: 6 ===================================== Write number: 478 Temperature: 1.250000 Total energy: -30.718129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.718129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.718129 (E_RNA) where: Base-Base interactions energy: -8.894 where: short stacking energy: -8.894 Base-Backbone interact. energy: -0.096 local terms energy: -21.727759 where: bonds (distance) C4'-P energy: -4.815 bonds (distance) P-C4' energy: -5.767 flat angles C4'-P-C4' energy: -5.457 flat angles P-C4'-P energy: -5.061 tors. eta vs tors. theta energy: -0.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 478 Temperature: 1.300000 Total energy: -30.395795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.395795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.395795 (E_RNA) where: Base-Base interactions energy: -9.752 where: short stacking energy: -9.752 Base-Backbone interact. energy: -0.032 local terms energy: -20.611176 where: bonds (distance) C4'-P energy: -5.766 bonds (distance) P-C4' energy: -5.737 flat angles C4'-P-C4' energy: -6.122 flat angles P-C4'-P energy: -2.804 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: 10, replica: 1 ===================================== Write number: 478 Temperature: 1.350000 Total energy: -28.546066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.546066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.546066 (E_RNA) where: Base-Base interactions energy: -9.375 where: short stacking energy: -9.375 Base-Backbone interact. energy: -0.001 local terms energy: -19.170246 where: bonds (distance) C4'-P energy: -4.549 bonds (distance) P-C4' energy: -5.103 flat angles C4'-P-C4' energy: -5.569 flat angles P-C4'-P energy: -1.894 tors. eta vs tors. theta energy: -2.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 479 Temperature: 0.900000 Total energy: -39.987220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.987220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.987220 (E_RNA) where: Base-Base interactions energy: -14.155 where: short stacking energy: -14.155 Base-Backbone interact. energy: -0.008 local terms energy: -25.824341 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -5.518 flat angles P-C4'-P energy: -4.750 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: 4 ===================================== Write number: 479 Temperature: 0.950000 Total energy: -42.821484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.821484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.821484 (E_RNA) where: Base-Base interactions energy: -18.007 where: short stacking energy: -18.007 Base-Backbone interact. energy: -0.000 local terms energy: -24.813964 where: bonds (distance) C4'-P energy: -3.397 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -6.537 flat angles P-C4'-P energy: -3.811 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: 3, replica: 10 ===================================== Write number: 479 Temperature: 1.000000 Total energy: -37.008887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.008887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.008887 (E_RNA) where: Base-Base interactions energy: -10.322 where: short stacking energy: -10.322 Base-Backbone interact. energy: -0.000 local terms energy: -26.686584 where: bonds (distance) C4'-P energy: -5.013 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -4.919 flat angles P-C4'-P energy: -4.595 tors. eta vs tors. theta energy: -5.259 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: 3 ===================================== Write number: 479 Temperature: 1.050000 Total energy: -39.452056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.452056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.452056 (E_RNA) where: Base-Base interactions energy: -15.464 where: short stacking energy: -13.868 Base-Backbone interact. energy: -0.001 local terms energy: -23.987315 where: bonds (distance) C4'-P energy: -5.882 bonds (distance) P-C4' energy: -5.600 flat angles C4'-P-C4' energy: -5.217 flat angles P-C4'-P energy: -4.035 tors. eta vs tors. theta energy: -3.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 479 Temperature: 1.100000 Total energy: -34.774498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.774498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.774498 (E_RNA) where: Base-Base interactions energy: -12.191 where: short stacking energy: -12.191 Base-Backbone interact. energy: -0.000 local terms energy: -22.583857 where: bonds (distance) C4'-P energy: -4.823 bonds (distance) P-C4' energy: -5.839 flat angles C4'-P-C4' energy: -4.381 flat angles P-C4'-P energy: -4.744 tors. eta vs tors. theta energy: -2.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 479 Temperature: 1.150000 Total energy: -38.714737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.714737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.714737 (E_RNA) where: Base-Base interactions energy: -14.926 where: short stacking energy: -14.926 Base-Backbone interact. energy: -0.009 local terms energy: -23.779275 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -5.245 flat angles P-C4'-P energy: -3.455 tors. eta vs tors. theta energy: -2.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 479 Temperature: 1.200000 Total energy: -37.016414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.016414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.016414 (E_RNA) where: Base-Base interactions energy: -13.325 where: short stacking energy: -13.325 Base-Backbone interact. energy: -0.000 local terms energy: -23.691618 where: bonds (distance) C4'-P energy: -5.518 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -4.730 flat angles P-C4'-P energy: -3.500 tors. eta vs tors. theta energy: -3.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 479 Temperature: 1.250000 Total energy: -32.349086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.349086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.349086 (E_RNA) where: Base-Base interactions energy: -8.590 where: short stacking energy: -8.590 Base-Backbone interact. energy: -0.198 local terms energy: -23.561680 where: bonds (distance) C4'-P energy: -4.988 bonds (distance) P-C4' energy: -5.534 flat angles C4'-P-C4' energy: -6.279 flat angles P-C4'-P energy: -3.442 tors. eta vs tors. theta energy: -3.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 479 Temperature: 1.300000 Total energy: -30.631076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.631076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.631076 (E_RNA) where: Base-Base interactions energy: -11.666 where: short stacking energy: -11.666 Base-Backbone interact. energy: -0.001 local terms energy: -18.963554 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -4.218 flat angles C4'-P-C4' energy: -4.153 flat angles P-C4'-P energy: -2.888 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: 10, replica: 1 ===================================== Write number: 479 Temperature: 1.350000 Total energy: -32.578300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.578300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.578300 (E_RNA) where: Base-Base interactions energy: -12.761 where: short stacking energy: -12.761 Base-Backbone interact. energy: -0.006 local terms energy: -19.811672 where: bonds (distance) C4'-P energy: -3.902 bonds (distance) P-C4' energy: -5.248 flat angles C4'-P-C4' energy: -5.042 flat angles P-C4'-P energy: -4.504 tors. eta vs tors. theta energy: -1.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 480 Temperature: 0.900000 Total energy: -35.408205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.408205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.408205 (E_RNA) where: Base-Base interactions energy: -11.722 where: short stacking energy: -11.722 Base-Backbone interact. energy: -0.007 local terms energy: -23.679300 where: bonds (distance) C4'-P energy: -5.481 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -6.012 flat angles P-C4'-P energy: -4.767 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: 2, replica: 8 ===================================== Write number: 480 Temperature: 0.950000 Total energy: -44.395709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.395709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.395709 (E_RNA) where: Base-Base interactions energy: -16.947 where: short stacking energy: -16.947 Base-Backbone interact. energy: -0.000 local terms energy: -27.449010 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -6.132 flat angles C4'-P-C4' energy: -5.516 flat angles P-C4'-P energy: -4.658 tors. eta vs tors. theta energy: -5.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 480 Temperature: 1.000000 Total energy: -36.961425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.961425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.961425 (E_RNA) where: Base-Base interactions energy: -14.682 where: short stacking energy: -14.682 Base-Backbone interact. energy: -0.001 local terms energy: -22.278587 where: bonds (distance) C4'-P energy: -3.415 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -6.220 flat angles P-C4'-P energy: -4.334 tors. eta vs tors. theta energy: -1.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 480 Temperature: 1.050000 Total energy: -35.027294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.027294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.027294 (E_RNA) where: Base-Base interactions energy: -7.898 where: short stacking energy: -7.898 Base-Backbone interact. energy: -0.070 local terms energy: -27.059420 where: bonds (distance) C4'-P energy: -5.998 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -6.131 flat angles P-C4'-P energy: -4.729 tors. eta vs tors. theta energy: -3.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 480 Temperature: 1.100000 Total energy: -30.818527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.818527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.818527 (E_RNA) where: Base-Base interactions energy: -8.707 where: short stacking energy: -8.707 Base-Backbone interact. energy: -0.000 local terms energy: -22.111761 where: bonds (distance) C4'-P energy: -5.990 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -5.496 flat angles P-C4'-P energy: -4.190 tors. eta vs tors. theta energy: 0.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 480 Temperature: 1.150000 Total energy: -35.625429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.625429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.625429 (E_RNA) where: Base-Base interactions energy: -14.394 where: short stacking energy: -14.394 Base-Backbone interact. energy: -0.001 local terms energy: -21.230664 where: bonds (distance) C4'-P energy: -4.587 bonds (distance) P-C4' energy: -4.935 flat angles C4'-P-C4' energy: -3.950 flat angles P-C4'-P energy: -3.692 tors. eta vs tors. theta energy: -4.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 480 Temperature: 1.200000 Total energy: -34.836988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.836988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.836988 (E_RNA) where: Base-Base interactions energy: -14.526 where: short stacking energy: -14.526 Base-Backbone interact. energy: -0.000 local terms energy: -20.311050 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -5.346 flat angles C4'-P-C4' energy: -5.963 flat angles P-C4'-P energy: -0.803 tors. eta vs tors. theta energy: -2.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 480 Temperature: 1.250000 Total energy: -30.202647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.202647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.202647 (E_RNA) where: Base-Base interactions energy: -9.138 where: short stacking energy: -9.533 Base-Backbone interact. energy: -0.003 local terms energy: -21.062385 where: bonds (distance) C4'-P energy: -3.833 bonds (distance) P-C4' energy: -5.896 flat angles C4'-P-C4' energy: -5.953 flat angles P-C4'-P energy: -3.713 tors. eta vs tors. theta energy: -1.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 480 Temperature: 1.300000 Total energy: -28.854168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.854168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.854168 (E_RNA) where: Base-Base interactions energy: -5.732 where: short stacking energy: -5.732 Base-Backbone interact. energy: -0.008 local terms energy: -23.113842 where: bonds (distance) C4'-P energy: -5.696 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -6.518 flat angles P-C4'-P energy: -3.240 tors. eta vs tors. theta energy: -1.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 480 Temperature: 1.350000 Total energy: -29.692461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.692461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.692461 (E_RNA) where: Base-Base interactions energy: -9.405 where: short stacking energy: -9.498 Base-Backbone interact. energy: -0.010 local terms energy: -20.277484 where: bonds (distance) C4'-P energy: -5.535 bonds (distance) P-C4' energy: -5.181 flat angles C4'-P-C4' energy: -5.408 flat angles P-C4'-P energy: -2.163 tors. eta vs tors. theta energy: -1.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 481 Temperature: 0.900000 Total energy: -38.269569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.269569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.269569 (E_RNA) where: Base-Base interactions energy: -11.060 where: short stacking energy: -11.060 Base-Backbone interact. energy: -0.006 local terms energy: -27.203777 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -5.584 flat angles P-C4'-P energy: -4.671 tors. eta vs tors. theta energy: -4.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 481 Temperature: 0.950000 Total energy: -39.685467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.685467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.685467 (E_RNA) where: Base-Base interactions energy: -14.910 where: short stacking energy: -14.910 Base-Backbone interact. energy: -0.000 local terms energy: -24.775036 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -5.228 flat angles P-C4'-P energy: -3.971 tors. eta vs tors. theta energy: -3.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 481 Temperature: 1.000000 Total energy: -40.483124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.483124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.483124 (E_RNA) where: Base-Base interactions energy: -15.639 where: short stacking energy: -15.639 Base-Backbone interact. energy: -0.000 local terms energy: -24.843855 where: bonds (distance) C4'-P energy: -4.462 bonds (distance) P-C4' energy: -6.407 flat angles C4'-P-C4' energy: -3.742 flat angles P-C4'-P energy: -4.407 tors. eta vs tors. theta energy: -5.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 481 Temperature: 1.050000 Total energy: -36.095586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.095586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.095586 (E_RNA) where: Base-Base interactions energy: -14.022 where: short stacking energy: -14.022 Base-Backbone interact. energy: -0.010 local terms energy: -22.063568 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -4.790 flat angles C4'-P-C4' energy: -3.548 flat angles P-C4'-P energy: -3.906 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: 10 ===================================== Write number: 481 Temperature: 1.100000 Total energy: -36.896797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.896797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.896797 (E_RNA) where: Base-Base interactions energy: -14.826 where: short stacking energy: -14.826 Base-Backbone interact. energy: -0.023 local terms energy: -22.047732 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.703 flat angles P-C4'-P energy: -2.160 tors. eta vs tors. theta energy: -1.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 481 Temperature: 1.150000 Total energy: -36.181263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.181263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.181263 (E_RNA) where: Base-Base interactions energy: -12.751 where: short stacking energy: -11.660 Base-Backbone interact. energy: -0.019 local terms energy: -23.411038 where: bonds (distance) C4'-P energy: -4.400 bonds (distance) P-C4' energy: -5.420 flat angles C4'-P-C4' energy: -4.525 flat angles P-C4'-P energy: -4.055 tors. eta vs tors. theta energy: -5.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 481 Temperature: 1.200000 Total energy: -30.967355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.967355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.967355 (E_RNA) where: Base-Base interactions energy: -10.278 where: short stacking energy: -9.261 Base-Backbone interact. energy: -0.183 local terms energy: -20.505860 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -3.939 flat angles C4'-P-C4' energy: -5.856 flat angles P-C4'-P energy: -4.490 tors. eta vs tors. theta energy: -0.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 481 Temperature: 1.250000 Total energy: -31.261570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.261570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.261570 (E_RNA) where: Base-Base interactions energy: -11.922 where: short stacking energy: -11.922 Base-Backbone interact. energy: -0.000 local terms energy: -19.339174 where: bonds (distance) C4'-P energy: -4.872 bonds (distance) P-C4' energy: -3.068 flat angles C4'-P-C4' energy: -4.341 flat angles P-C4'-P energy: -4.620 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: 9, replica: 1 ===================================== Write number: 481 Temperature: 1.300000 Total energy: -32.772335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.772335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.772335 (E_RNA) where: Base-Base interactions energy: -9.867 where: short stacking energy: -9.867 Base-Backbone interact. energy: -0.000 local terms energy: -22.905208 where: bonds (distance) C4'-P energy: -5.775 bonds (distance) P-C4' energy: -5.763 flat angles C4'-P-C4' energy: -5.633 flat angles P-C4'-P energy: -2.999 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: 6 ===================================== Write number: 481 Temperature: 1.350000 Total energy: -28.176165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.176165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.176165 (E_RNA) where: Base-Base interactions energy: -9.298 where: short stacking energy: -9.298 Base-Backbone interact. energy: -0.069 local terms energy: -18.808752 where: bonds (distance) C4'-P energy: -3.345 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -4.538 flat angles P-C4'-P energy: -2.561 tors. eta vs tors. theta energy: -2.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 482 Temperature: 0.900000 Total energy: -38.530639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.530639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.530639 (E_RNA) where: Base-Base interactions energy: -12.379 where: short stacking energy: -12.379 Base-Backbone interact. energy: -0.000 local terms energy: -26.151632 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -4.324 flat angles P-C4'-P energy: -5.076 tors. eta vs tors. theta energy: -4.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 482 Temperature: 0.950000 Total energy: -36.104083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.104083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.104083 (E_RNA) where: Base-Base interactions energy: -12.455 where: short stacking energy: -12.455 Base-Backbone interact. energy: -0.000 local terms energy: -23.648635 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.131 flat angles P-C4'-P energy: -4.020 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: 3, replica: 2 ===================================== Write number: 482 Temperature: 1.000000 Total energy: -36.793832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.793832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.793832 (E_RNA) where: Base-Base interactions energy: -12.926 where: short stacking energy: -12.926 Base-Backbone interact. energy: -0.000 local terms energy: -23.867719 where: bonds (distance) C4'-P energy: -4.967 bonds (distance) P-C4' energy: -4.815 flat angles C4'-P-C4' energy: -4.338 flat angles P-C4'-P energy: -3.594 tors. eta vs tors. theta energy: -6.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 482 Temperature: 1.050000 Total energy: -36.940066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.940066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.940066 (E_RNA) where: Base-Base interactions energy: -11.819 where: short stacking energy: -11.819 Base-Backbone interact. energy: -0.000 local terms energy: -25.121307 where: bonds (distance) C4'-P energy: -4.926 bonds (distance) P-C4' energy: -5.086 flat angles C4'-P-C4' energy: -6.147 flat angles P-C4'-P energy: -4.393 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: 5, replica: 7 ===================================== Write number: 482 Temperature: 1.100000 Total energy: -37.165396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.165396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.165396 (E_RNA) where: Base-Base interactions energy: -12.569 where: short stacking energy: -12.569 Base-Backbone interact. energy: -0.000 local terms energy: -24.596468 where: bonds (distance) C4'-P energy: -4.843 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -5.708 flat angles P-C4'-P energy: -3.596 tors. eta vs tors. theta energy: -4.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 482 Temperature: 1.150000 Total energy: -34.087289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.087289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.087289 (E_RNA) where: Base-Base interactions energy: -13.505 where: short stacking energy: -13.505 Base-Backbone interact. energy: -0.011 local terms energy: -20.571157 where: bonds (distance) C4'-P energy: -5.373 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -4.450 flat angles P-C4'-P energy: -0.870 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: 7, replica: 5 ===================================== Write number: 482 Temperature: 1.200000 Total energy: -36.947503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.947503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.947503 (E_RNA) where: Base-Base interactions energy: -12.071 where: short stacking energy: -12.071 Base-Backbone interact. energy: -0.000 local terms energy: -24.876099 where: bonds (distance) C4'-P energy: -4.637 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -3.843 flat angles P-C4'-P energy: -4.904 tors. eta vs tors. theta energy: -4.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 482 Temperature: 1.250000 Total energy: -28.446089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.446089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.446089 (E_RNA) where: Base-Base interactions energy: -10.557 where: short stacking energy: -10.557 Base-Backbone interact. energy: -0.240 local terms energy: -17.649107 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -4.758 flat angles C4'-P-C4' energy: -4.393 flat angles P-C4'-P energy: -3.212 tors. eta vs tors. theta energy: 0.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 482 Temperature: 1.300000 Total energy: -31.970285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.970285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.970285 (E_RNA) where: Base-Base interactions energy: -11.605 where: short stacking energy: -11.605 Base-Backbone interact. energy: -0.110 local terms energy: -20.255003 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -4.165 flat angles C4'-P-C4' energy: -2.979 flat angles P-C4'-P energy: -4.810 tors. eta vs tors. theta energy: -2.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 482 Temperature: 1.350000 Total energy: -32.710373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.710373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.710373 (E_RNA) where: Base-Base interactions energy: -13.154 where: short stacking energy: -13.154 Base-Backbone interact. energy: -0.032 local terms energy: -19.524368 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -4.325 flat angles P-C4'-P energy: -3.319 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: 1, replica: 3 ===================================== Write number: 483 Temperature: 0.900000 Total energy: -41.264062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.264062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.264062 (E_RNA) where: Base-Base interactions energy: -16.706 where: short stacking energy: -16.706 Base-Backbone interact. energy: -0.000 local terms energy: -24.557565 where: bonds (distance) C4'-P energy: -4.024 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -6.184 flat angles P-C4'-P energy: -3.351 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: 2 ===================================== Write number: 483 Temperature: 0.950000 Total energy: -43.410830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.410830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.410830 (E_RNA) where: Base-Base interactions energy: -15.900 where: short stacking energy: -15.900 Base-Backbone interact. energy: -0.001 local terms energy: -27.510427 where: bonds (distance) C4'-P energy: -5.286 bonds (distance) P-C4' energy: -6.457 flat angles C4'-P-C4' energy: -5.106 flat angles P-C4'-P energy: -4.444 tors. eta vs tors. theta energy: -6.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 483 Temperature: 1.000000 Total energy: -34.804558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.804558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.804558 (E_RNA) where: Base-Base interactions energy: -11.914 where: short stacking energy: -12.314 Base-Backbone interact. energy: -0.005 local terms energy: -22.885096 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -6.407 flat angles C4'-P-C4' energy: -6.465 flat angles P-C4'-P energy: -4.162 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: 4, replica: 7 ===================================== Write number: 483 Temperature: 1.050000 Total energy: -32.556805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.556805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.556805 (E_RNA) where: Base-Base interactions energy: -12.960 where: short stacking energy: -12.960 Base-Backbone interact. energy: -0.000 local terms energy: -19.596394 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -4.396 flat angles C4'-P-C4' energy: -4.985 flat angles P-C4'-P energy: -3.975 tors. eta vs tors. theta energy: -0.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 483 Temperature: 1.100000 Total energy: -38.057007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.057007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.057007 (E_RNA) where: Base-Base interactions energy: -15.260 where: short stacking energy: -15.260 Base-Backbone interact. energy: -0.001 local terms energy: -22.795233 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -4.920 flat angles C4'-P-C4' energy: -6.528 flat angles P-C4'-P energy: -4.302 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: 5 ===================================== Write number: 483 Temperature: 1.150000 Total energy: -31.382594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.382594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.382594 (E_RNA) where: Base-Base interactions energy: -12.317 where: short stacking energy: -12.317 Base-Backbone interact. energy: -0.018 local terms energy: -19.047886 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -3.934 flat angles P-C4'-P energy: -3.007 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: 7, replica: 10 ===================================== Write number: 483 Temperature: 1.200000 Total energy: -33.111643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.111643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.111643 (E_RNA) where: Base-Base interactions energy: -12.556 where: short stacking energy: -12.556 Base-Backbone interact. energy: 3.204 local terms energy: -23.759617 where: bonds (distance) C4'-P energy: -4.975 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.531 flat angles P-C4'-P energy: -2.611 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: 8, replica: 6 ===================================== Write number: 483 Temperature: 1.250000 Total energy: -34.889140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.889140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.889140 (E_RNA) where: Base-Base interactions energy: -10.344 where: short stacking energy: -10.344 Base-Backbone interact. energy: -0.007 local terms energy: -24.538107 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -4.912 flat angles P-C4'-P energy: -2.759 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: 9 ===================================== Write number: 483 Temperature: 1.300000 Total energy: -28.775378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.775378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.775378 (E_RNA) where: Base-Base interactions energy: -6.813 where: short stacking energy: -6.813 Base-Backbone interact. energy: -0.038 local terms energy: -21.924746 where: bonds (distance) C4'-P energy: -1.523 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -5.481 flat angles P-C4'-P energy: -4.562 tors. eta vs tors. theta energy: -3.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 483 Temperature: 1.350000 Total energy: -29.186766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.186766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.186766 (E_RNA) where: Base-Base interactions energy: -10.829 where: short stacking energy: -10.334 Base-Backbone interact. energy: -0.066 local terms energy: -18.292513 where: bonds (distance) C4'-P energy: -5.481 bonds (distance) P-C4' energy: -3.078 flat angles C4'-P-C4' energy: -5.779 flat angles P-C4'-P energy: -2.875 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: 484 Temperature: 0.900000 Total energy: -44.354589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.354589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.354589 (E_RNA) where: Base-Base interactions energy: -16.082 where: short stacking energy: -16.082 Base-Backbone interact. energy: -0.000 local terms energy: -28.272260 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -7.130 flat angles C4'-P-C4' energy: -5.516 flat angles P-C4'-P energy: -4.131 tors. eta vs tors. theta energy: -5.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 484 Temperature: 0.950000 Total energy: -41.310923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.310923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.310923 (E_RNA) where: Base-Base interactions energy: -17.969 where: short stacking energy: -17.969 Base-Backbone interact. energy: -0.000 local terms energy: -23.341563 where: bonds (distance) C4'-P energy: -4.703 bonds (distance) P-C4' energy: -4.681 flat angles C4'-P-C4' energy: -5.305 flat angles P-C4'-P energy: -3.918 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: 3, replica: 7 ===================================== Write number: 484 Temperature: 1.000000 Total energy: -35.737961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.737961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.737961 (E_RNA) where: Base-Base interactions energy: -12.722 where: short stacking energy: -12.696 Base-Backbone interact. energy: -0.055 local terms energy: -22.960855 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -5.624 flat angles P-C4'-P energy: -3.697 tors. eta vs tors. theta energy: -1.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 484 Temperature: 1.050000 Total energy: -32.316627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.316627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.316627 (E_RNA) where: Base-Base interactions energy: -9.912 where: short stacking energy: -9.912 Base-Backbone interact. energy: -0.051 local terms energy: -22.353536 where: bonds (distance) C4'-P energy: -5.501 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -5.462 flat angles P-C4'-P energy: -5.142 tors. eta vs tors. theta energy: 0.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 484 Temperature: 1.100000 Total energy: -32.572212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.572212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.572212 (E_RNA) where: Base-Base interactions energy: -9.284 where: short stacking energy: -9.284 Base-Backbone interact. energy: -0.001 local terms energy: -23.287134 where: bonds (distance) C4'-P energy: -4.603 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -5.460 flat angles P-C4'-P energy: -4.508 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: 6, replica: 8 ===================================== Write number: 484 Temperature: 1.150000 Total energy: -36.695976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.695976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.695976 (E_RNA) where: Base-Base interactions energy: -12.420 where: short stacking energy: -12.420 Base-Backbone interact. energy: -0.000 local terms energy: -24.275453 where: bonds (distance) C4'-P energy: -5.866 bonds (distance) P-C4' energy: -5.048 flat angles C4'-P-C4' energy: -4.834 flat angles P-C4'-P energy: -4.407 tors. eta vs tors. theta energy: -4.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 484 Temperature: 1.200000 Total energy: -30.598960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.598960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.598960 (E_RNA) where: Base-Base interactions energy: -10.972 where: short stacking energy: -11.348 Base-Backbone interact. energy: -0.126 local terms energy: -19.500166 where: bonds (distance) C4'-P energy: -3.622 bonds (distance) P-C4' energy: -4.600 flat angles C4'-P-C4' energy: -6.369 flat angles P-C4'-P energy: -3.103 tors. eta vs tors. theta energy: -1.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 484 Temperature: 1.250000 Total energy: -32.829912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.829912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.829912 (E_RNA) where: Base-Base interactions energy: -15.307 where: short stacking energy: -15.307 Base-Backbone interact. energy: -0.000 local terms energy: -17.522392 where: bonds (distance) C4'-P energy: -3.514 bonds (distance) P-C4' energy: -5.723 flat angles C4'-P-C4' energy: -3.454 flat angles P-C4'-P energy: 0.122 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: 9, replica: 1 ===================================== Write number: 484 Temperature: 1.300000 Total energy: -30.252291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.252291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.252291 (E_RNA) where: Base-Base interactions energy: -5.887 where: short stacking energy: -5.887 Base-Backbone interact. energy: -0.009 local terms energy: -24.355763 where: bonds (distance) C4'-P energy: -5.422 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -6.538 flat angles P-C4'-P energy: -3.436 tors. eta vs tors. theta energy: -2.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 484 Temperature: 1.350000 Total energy: -31.034708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.034708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.034708 (E_RNA) where: Base-Base interactions energy: -11.893 where: short stacking energy: -11.893 Base-Backbone interact. energy: -0.000 local terms energy: -19.141324 where: bonds (distance) C4'-P energy: -3.902 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -3.415 flat angles P-C4'-P energy: -0.952 tors. eta vs tors. theta energy: -3.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 485 Temperature: 0.900000 Total energy: -39.132808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.132808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.132808 (E_RNA) where: Base-Base interactions energy: -13.514 where: short stacking energy: -13.514 Base-Backbone interact. energy: -0.001 local terms energy: -25.618066 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.156 flat angles C4'-P-C4' energy: -4.595 flat angles P-C4'-P energy: -4.276 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: 2, replica: 7 ===================================== Write number: 485 Temperature: 0.950000 Total energy: -38.948736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.948736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.948736 (E_RNA) where: Base-Base interactions energy: -13.303 where: short stacking energy: -13.303 Base-Backbone interact. energy: -0.001 local terms energy: -25.644632 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -5.884 flat angles P-C4'-P energy: -4.189 tors. eta vs tors. theta energy: -4.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 485 Temperature: 1.000000 Total energy: -37.485235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.485235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.485235 (E_RNA) where: Base-Base interactions energy: -12.473 where: short stacking energy: -12.473 Base-Backbone interact. energy: -0.000 local terms energy: -25.012519 where: bonds (distance) C4'-P energy: -5.365 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -5.385 flat angles P-C4'-P energy: -3.895 tors. eta vs tors. theta energy: -4.404 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: 5 ===================================== Write number: 485 Temperature: 1.050000 Total energy: -34.221143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.221143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.221143 (E_RNA) where: Base-Base interactions energy: -8.136 where: short stacking energy: -8.136 Base-Backbone interact. energy: -0.002 local terms energy: -26.082663 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.389 flat angles C4'-P-C4' energy: -5.837 flat angles P-C4'-P energy: -4.435 tors. eta vs tors. theta energy: -3.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 485 Temperature: 1.100000 Total energy: -35.337111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.337111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.337111 (E_RNA) where: Base-Base interactions energy: -14.705 where: short stacking energy: -14.705 Base-Backbone interact. energy: -0.066 local terms energy: -20.566152 where: bonds (distance) C4'-P energy: -6.044 bonds (distance) P-C4' energy: -5.184 flat angles C4'-P-C4' energy: -4.419 flat angles P-C4'-P energy: -2.915 tors. eta vs tors. theta energy: -2.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 485 Temperature: 1.150000 Total energy: -30.379840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.379840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.379840 (E_RNA) where: Base-Base interactions energy: -10.232 where: short stacking energy: -10.232 Base-Backbone interact. energy: -0.102 local terms energy: -20.045766 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -4.227 flat angles C4'-P-C4' energy: -6.011 flat angles P-C4'-P energy: -3.374 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: 7, replica: 10 ===================================== Write number: 485 Temperature: 1.200000 Total energy: -35.105349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.105349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.105349 (E_RNA) where: Base-Base interactions energy: -13.179 where: short stacking energy: -13.179 Base-Backbone interact. energy: -0.025 local terms energy: -21.901668 where: bonds (distance) C4'-P energy: -4.425 bonds (distance) P-C4' energy: -5.635 flat angles C4'-P-C4' energy: -4.543 flat angles P-C4'-P energy: -4.657 tors. eta vs tors. theta energy: -2.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 485 Temperature: 1.250000 Total energy: -30.269841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.269841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.269841 (E_RNA) where: Base-Base interactions energy: -9.580 where: short stacking energy: -9.580 Base-Backbone interact. energy: -0.007 local terms energy: -20.682430 where: bonds (distance) C4'-P energy: -4.019 bonds (distance) P-C4' energy: -5.607 flat angles C4'-P-C4' energy: -6.156 flat angles P-C4'-P energy: -1.947 tors. eta vs tors. theta energy: -2.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 485 Temperature: 1.300000 Total energy: -28.430402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.430402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.430402 (E_RNA) where: Base-Base interactions energy: -8.469 where: short stacking energy: -8.469 Base-Backbone interact. energy: -0.071 local terms energy: -19.890074 where: bonds (distance) C4'-P energy: -5.277 bonds (distance) P-C4' energy: -4.944 flat angles C4'-P-C4' energy: -5.604 flat angles P-C4'-P energy: -3.583 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: 485 Temperature: 1.350000 Total energy: -31.024949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.024949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.024949 (E_RNA) where: Base-Base interactions energy: -11.285 where: short stacking energy: -11.285 Base-Backbone interact. energy: -0.052 local terms energy: -19.687292 where: bonds (distance) C4'-P energy: -6.006 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -3.461 flat angles P-C4'-P energy: -1.929 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: 1, replica: 2 ===================================== Write number: 486 Temperature: 0.900000 Total energy: -44.251801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.251801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.251801 (E_RNA) where: Base-Base interactions energy: -18.196 where: short stacking energy: -18.196 Base-Backbone interact. energy: -0.001 local terms energy: -26.054916 where: bonds (distance) C4'-P energy: -5.837 bonds (distance) P-C4' energy: -4.910 flat angles C4'-P-C4' energy: -5.086 flat angles P-C4'-P energy: -4.183 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: 7 ===================================== Write number: 486 Temperature: 0.950000 Total energy: -36.379494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.379494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.379494 (E_RNA) where: Base-Base interactions energy: -9.971 where: short stacking energy: -9.971 Base-Backbone interact. energy: -0.709 local terms energy: -25.698850 where: bonds (distance) C4'-P energy: -6.105 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -6.343 flat angles P-C4'-P energy: -4.628 tors. eta vs tors. theta energy: -1.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 486 Temperature: 1.000000 Total energy: -38.541253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.541253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.541253 (E_RNA) where: Base-Base interactions energy: -12.981 where: short stacking energy: -12.981 Base-Backbone interact. energy: -0.028 local terms energy: -25.531889 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -5.737 flat angles P-C4'-P energy: -3.772 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: 4, replica: 5 ===================================== Write number: 486 Temperature: 1.050000 Total energy: -37.523412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.523412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.523412 (E_RNA) where: Base-Base interactions energy: -12.302 where: short stacking energy: -12.302 Base-Backbone interact. energy: -0.588 local terms energy: -24.633711 where: bonds (distance) C4'-P energy: -5.456 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -6.255 flat angles P-C4'-P energy: -4.747 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: 5, replica: 8 ===================================== Write number: 486 Temperature: 1.100000 Total energy: -31.678228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.678228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.678228 (E_RNA) where: Base-Base interactions energy: -11.617 where: short stacking energy: -11.617 Base-Backbone interact. energy: -0.021 local terms energy: -20.040589 where: bonds (distance) C4'-P energy: -4.151 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -4.524 flat angles P-C4'-P energy: -2.917 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: 4 ===================================== Write number: 486 Temperature: 1.150000 Total energy: -31.494448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.494448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.494448 (E_RNA) where: Base-Base interactions energy: -12.935 where: short stacking energy: -12.935 Base-Backbone interact. energy: 0.192 local terms energy: -18.751458 where: bonds (distance) C4'-P energy: -3.291 bonds (distance) P-C4' energy: -5.868 flat angles C4'-P-C4' energy: -4.675 flat angles P-C4'-P energy: -3.848 tors. eta vs tors. theta energy: -1.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 486 Temperature: 1.200000 Total energy: -29.997777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.997777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.997777 (E_RNA) where: Base-Base interactions energy: -8.835 where: short stacking energy: -8.835 Base-Backbone interact. energy: -0.368 local terms energy: -20.794815 where: bonds (distance) C4'-P energy: -5.650 bonds (distance) P-C4' energy: -5.076 flat angles C4'-P-C4' energy: -5.978 flat angles P-C4'-P energy: -0.917 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: 8, replica: 10 ===================================== Write number: 486 Temperature: 1.250000 Total energy: -33.401233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.401233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.401233 (E_RNA) where: Base-Base interactions energy: -9.575 where: short stacking energy: -9.575 Base-Backbone interact. energy: -0.002 local terms energy: -23.824483 where: bonds (distance) C4'-P energy: -4.603 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -5.372 flat angles P-C4'-P energy: -5.381 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: 6 ===================================== Write number: 486 Temperature: 1.300000 Total energy: -27.778145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.778145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.778145 (E_RNA) where: Base-Base interactions energy: -6.121 where: short stacking energy: -6.121 Base-Backbone interact. energy: -0.016 local terms energy: -21.641629 where: bonds (distance) C4'-P energy: -4.747 bonds (distance) P-C4' energy: -5.956 flat angles C4'-P-C4' energy: -5.109 flat angles P-C4'-P energy: -5.337 tors. eta vs tors. theta energy: -0.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 486 Temperature: 1.350000 Total energy: -29.458640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.458640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.458640 (E_RNA) where: Base-Base interactions energy: -9.041 where: short stacking energy: -9.041 Base-Backbone interact. energy: -0.000 local terms energy: -20.417795 where: bonds (distance) C4'-P energy: -5.393 bonds (distance) P-C4' energy: -4.011 flat angles C4'-P-C4' energy: -5.082 flat angles P-C4'-P energy: -2.817 tors. eta vs tors. theta energy: -3.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 487 Temperature: 0.900000 Total energy: -37.318336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.318336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.318336 (E_RNA) where: Base-Base interactions energy: -13.253 where: short stacking energy: -13.253 Base-Backbone interact. energy: -0.004 local terms energy: -24.061783 where: bonds (distance) C4'-P energy: -5.075 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -5.702 flat angles P-C4'-P energy: -4.786 tors. eta vs tors. theta energy: -1.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 487 Temperature: 0.950000 Total energy: -35.815312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.815312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.815312 (E_RNA) where: Base-Base interactions energy: -13.038 where: short stacking energy: -13.038 Base-Backbone interact. energy: -0.044 local terms energy: -22.733401 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -4.615 flat angles P-C4'-P energy: -3.865 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: 3, replica: 7 ===================================== Write number: 487 Temperature: 1.000000 Total energy: -41.847331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.847331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.847331 (E_RNA) where: Base-Base interactions energy: -13.824 where: short stacking energy: -13.824 Base-Backbone interact. energy: -0.000 local terms energy: -28.022880 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -6.118 flat angles C4'-P-C4' energy: -6.082 flat angles P-C4'-P energy: -3.292 tors. eta vs tors. theta energy: -6.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 487 Temperature: 1.050000 Total energy: -31.465702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.465702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.465702 (E_RNA) where: Base-Base interactions energy: -10.758 where: short stacking energy: -10.758 Base-Backbone interact. energy: -0.099 local terms energy: -20.609397 where: bonds (distance) C4'-P energy: -5.766 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -4.034 flat angles P-C4'-P energy: -0.099 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: 5 ===================================== Write number: 487 Temperature: 1.100000 Total energy: -36.295971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.295971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.295971 (E_RNA) where: Base-Base interactions energy: -9.475 where: short stacking energy: -9.475 Base-Backbone interact. energy: -0.000 local terms energy: -26.820914 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -5.375 flat angles P-C4'-P energy: -4.403 tors. eta vs tors. theta energy: -4.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 487 Temperature: 1.150000 Total energy: -33.834642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.834642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.834642 (E_RNA) where: Base-Base interactions energy: -9.916 where: short stacking energy: -9.916 Base-Backbone interact. energy: -0.000 local terms energy: -23.918269 where: bonds (distance) C4'-P energy: -4.540 bonds (distance) P-C4' energy: -6.389 flat angles C4'-P-C4' energy: -5.725 flat angles P-C4'-P energy: -3.958 tors. eta vs tors. theta energy: -3.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 487 Temperature: 1.200000 Total energy: -33.271376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.271376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.271376 (E_RNA) where: Base-Base interactions energy: -8.105 where: short stacking energy: -8.105 Base-Backbone interact. energy: -0.001 local terms energy: -25.165936 where: bonds (distance) C4'-P energy: -5.075 bonds (distance) P-C4' energy: -6.382 flat angles C4'-P-C4' energy: -4.755 flat angles P-C4'-P energy: -4.737 tors. eta vs tors. theta energy: -4.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 487 Temperature: 1.250000 Total energy: -28.690793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.690793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.690793 (E_RNA) where: Base-Base interactions energy: -7.710 where: short stacking energy: -7.710 Base-Backbone interact. energy: -0.001 local terms energy: -20.979778 where: bonds (distance) C4'-P energy: -2.297 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -5.147 flat angles P-C4'-P energy: -5.166 tors. eta vs tors. theta energy: -2.153 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: 9, replica: 10 ===================================== Write number: 487 Temperature: 1.300000 Total energy: -28.282766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.282766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.282766 (E_RNA) where: Base-Base interactions energy: -8.650 where: short stacking energy: -8.650 Base-Backbone interact. energy: -0.000 local terms energy: -19.632658 where: bonds (distance) C4'-P energy: -4.603 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -5.197 flat angles P-C4'-P energy: -2.776 tors. eta vs tors. theta energy: -0.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 487 Temperature: 1.350000 Total energy: -25.377766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.377766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.377766 (E_RNA) where: Base-Base interactions energy: -4.368 where: short stacking energy: -4.368 Base-Backbone interact. energy: -0.001 local terms energy: -21.008170 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -6.174 flat angles C4'-P-C4' energy: -4.882 flat angles P-C4'-P energy: -5.296 tors. eta vs tors. theta energy: 0.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 488 Temperature: 0.900000 Total energy: -36.598683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.598683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.598683 (E_RNA) where: Base-Base interactions energy: -12.289 where: short stacking energy: -11.244 Base-Backbone interact. energy: -0.310 local terms energy: -23.999048 where: bonds (distance) C4'-P energy: -5.456 bonds (distance) P-C4' energy: -6.199 flat angles C4'-P-C4' energy: -6.328 flat angles P-C4'-P energy: -4.395 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: 2, replica: 2 ===================================== Write number: 488 Temperature: 0.950000 Total energy: -40.746386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.746386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.746386 (E_RNA) where: Base-Base interactions energy: -16.473 where: short stacking energy: -16.473 Base-Backbone interact. energy: -0.013 local terms energy: -24.259647 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.236 flat angles P-C4'-P energy: -3.612 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: 3, replica: 8 ===================================== Write number: 488 Temperature: 1.000000 Total energy: -36.782442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.782442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.782442 (E_RNA) where: Base-Base interactions energy: -13.216 where: short stacking energy: -13.216 Base-Backbone interact. energy: -0.003 local terms energy: -23.563668 where: bonds (distance) C4'-P energy: -5.589 bonds (distance) P-C4' energy: -5.931 flat angles C4'-P-C4' energy: -4.894 flat angles P-C4'-P energy: -4.801 tors. eta vs tors. theta energy: -2.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 488 Temperature: 1.050000 Total energy: -37.723134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.723134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.723134 (E_RNA) where: Base-Base interactions energy: -16.583 where: short stacking energy: -16.583 Base-Backbone interact. energy: -0.000 local terms energy: -21.139926 where: bonds (distance) C4'-P energy: -5.473 bonds (distance) P-C4' energy: -4.914 flat angles C4'-P-C4' energy: -4.707 flat angles P-C4'-P energy: -4.832 tors. eta vs tors. theta energy: -1.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 488 Temperature: 1.100000 Total energy: -38.514166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.514166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.514166 (E_RNA) where: Base-Base interactions energy: -14.467 where: short stacking energy: -14.467 Base-Backbone interact. energy: -0.065 local terms energy: -23.981751 where: bonds (distance) C4'-P energy: -4.438 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -4.602 flat angles P-C4'-P energy: -5.034 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: 6, replica: 5 ===================================== Write number: 488 Temperature: 1.150000 Total energy: -38.519269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.519269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.519269 (E_RNA) where: Base-Base interactions energy: -18.055 where: short stacking energy: -18.055 Base-Backbone interact. energy: -0.000 local terms energy: -20.463696 where: bonds (distance) C4'-P energy: -3.771 bonds (distance) P-C4' energy: -3.484 flat angles C4'-P-C4' energy: -5.557 flat angles P-C4'-P energy: -4.506 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: 7, replica: 6 ===================================== Write number: 488 Temperature: 1.200000 Total energy: -32.427957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.427957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.427957 (E_RNA) where: Base-Base interactions energy: -12.650 where: short stacking energy: -10.332 Base-Backbone interact. energy: 0.771 local terms energy: -20.548725 where: bonds (distance) C4'-P energy: -5.191 bonds (distance) P-C4' energy: -4.924 flat angles C4'-P-C4' energy: -5.917 flat angles P-C4'-P energy: -3.954 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: 8, replica: 1 ===================================== Write number: 488 Temperature: 1.250000 Total energy: -36.218763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.218763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.218763 (E_RNA) where: Base-Base interactions energy: -12.217 where: short stacking energy: -12.217 Base-Backbone interact. energy: -0.000 local terms energy: -24.001468 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -5.315 flat angles P-C4'-P energy: -2.972 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: 9, replica: 9 ===================================== Write number: 488 Temperature: 1.300000 Total energy: -29.914309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.914309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.914309 (E_RNA) where: Base-Base interactions energy: -7.946 where: short stacking energy: -7.946 Base-Backbone interact. energy: -0.002 local terms energy: -21.966152 where: bonds (distance) C4'-P energy: -4.880 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -4.569 flat angles P-C4'-P energy: -4.763 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: 10, replica: 10 ===================================== Write number: 488 Temperature: 1.350000 Total energy: -29.262480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.262480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.262480 (E_RNA) where: Base-Base interactions energy: -11.201 where: short stacking energy: -9.717 Base-Backbone interact. energy: -0.008 local terms energy: -18.053220 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -3.938 flat angles C4'-P-C4' energy: -5.140 flat angles P-C4'-P energy: -3.425 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: 3 ===================================== Write number: 489 Temperature: 0.900000 Total energy: -38.429269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.429269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.429269 (E_RNA) where: Base-Base interactions energy: -14.087 where: short stacking energy: -14.087 Base-Backbone interact. energy: -0.000 local terms energy: -24.341806 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -4.427 flat angles C4'-P-C4' energy: -5.443 flat angles P-C4'-P energy: -4.903 tors. eta vs tors. theta energy: -3.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 489 Temperature: 0.950000 Total energy: -34.972077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.972077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.972077 (E_RNA) where: Base-Base interactions energy: -11.814 where: short stacking energy: -11.814 Base-Backbone interact. energy: -0.001 local terms energy: -23.157041 where: bonds (distance) C4'-P energy: -5.837 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -4.067 flat angles P-C4'-P energy: -4.247 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: 3, replica: 2 ===================================== Write number: 489 Temperature: 1.000000 Total energy: -38.179166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.179166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.179166 (E_RNA) where: Base-Base interactions energy: -15.012 where: short stacking energy: -15.312 Base-Backbone interact. energy: -0.069 local terms energy: -23.098406 where: bonds (distance) C4'-P energy: -5.021 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -6.297 flat angles P-C4'-P energy: -3.262 tors. eta vs tors. theta energy: -1.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 489 Temperature: 1.050000 Total energy: -35.254781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.254781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.254781 (E_RNA) where: Base-Base interactions energy: -11.029 where: short stacking energy: -11.029 Base-Backbone interact. energy: -0.000 local terms energy: -24.225477 where: bonds (distance) C4'-P energy: -5.600 bonds (distance) P-C4' energy: -6.382 flat angles C4'-P-C4' energy: -3.988 flat angles P-C4'-P energy: -4.028 tors. eta vs tors. theta energy: -4.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 489 Temperature: 1.100000 Total energy: -31.061129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.061129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.061129 (E_RNA) where: Base-Base interactions energy: -9.427 where: short stacking energy: -9.427 Base-Backbone interact. energy: -0.002 local terms energy: -21.632754 where: bonds (distance) C4'-P energy: -4.913 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -0.751 flat angles P-C4'-P energy: -4.195 tors. eta vs tors. theta energy: -4.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 489 Temperature: 1.150000 Total energy: -34.826605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.826605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.826605 (E_RNA) where: Base-Base interactions energy: -12.910 where: short stacking energy: -12.910 Base-Backbone interact. energy: -0.004 local terms energy: -21.912706 where: bonds (distance) C4'-P energy: -4.781 bonds (distance) P-C4' energy: -6.181 flat angles C4'-P-C4' energy: -5.372 flat angles P-C4'-P energy: -3.616 tors. eta vs tors. theta energy: -1.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 489 Temperature: 1.200000 Total energy: -29.313599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.313599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.313599 (E_RNA) where: Base-Base interactions energy: -10.260 where: short stacking energy: -10.260 Base-Backbone interact. energy: -0.024 local terms energy: -19.029772 where: bonds (distance) C4'-P energy: -4.975 bonds (distance) P-C4' energy: -5.534 flat angles C4'-P-C4' energy: -3.465 flat angles P-C4'-P energy: -4.162 tors. eta vs tors. theta energy: -0.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 489 Temperature: 1.250000 Total energy: -35.066007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.066007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.066007 (E_RNA) where: Base-Base interactions energy: -11.523 where: short stacking energy: -11.523 Base-Backbone interact. energy: -0.010 local terms energy: -23.532231 where: bonds (distance) C4'-P energy: -4.871 bonds (distance) P-C4' energy: -7.144 flat angles C4'-P-C4' energy: -5.355 flat angles P-C4'-P energy: -3.521 tors. eta vs tors. theta energy: -2.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 489 Temperature: 1.300000 Total energy: -30.371890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.371890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.371890 (E_RNA) where: Base-Base interactions energy: -13.800 where: short stacking energy: -13.800 Base-Backbone interact. energy: -0.005 local terms energy: -16.567417 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -4.877 flat angles C4'-P-C4' energy: -4.706 flat angles P-C4'-P energy: -2.535 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: 10, replica: 10 ===================================== Write number: 489 Temperature: 1.350000 Total energy: -32.765604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.765604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.765604 (E_RNA) where: Base-Base interactions energy: -9.732 where: short stacking energy: -9.732 Base-Backbone interact. energy: -0.000 local terms energy: -23.033880 where: bonds (distance) C4'-P energy: -5.315 bonds (distance) P-C4' energy: -6.128 flat angles C4'-P-C4' energy: -5.841 flat angles P-C4'-P energy: -2.456 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: 1, replica: 8 ===================================== Write number: 490 Temperature: 0.900000 Total energy: -45.067563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.067563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.067563 (E_RNA) where: Base-Base interactions energy: -16.668 where: short stacking energy: -16.668 Base-Backbone interact. energy: -0.000 local terms energy: -28.399750 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -6.374 flat angles P-C4'-P energy: -3.942 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: 2, replica: 3 ===================================== Write number: 490 Temperature: 0.950000 Total energy: -39.154158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.154158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.154158 (E_RNA) where: Base-Base interactions energy: -14.866 where: short stacking energy: -14.866 Base-Backbone interact. energy: -0.000 local terms energy: -24.288037 where: bonds (distance) C4'-P energy: -4.221 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -5.211 flat angles P-C4'-P energy: -4.398 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: 3, replica: 4 ===================================== Write number: 490 Temperature: 1.000000 Total energy: -37.335438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.335438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.335438 (E_RNA) where: Base-Base interactions energy: -11.882 where: short stacking energy: -11.882 Base-Backbone interact. energy: -0.000 local terms energy: -25.453792 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -6.382 flat angles C4'-P-C4' energy: -5.099 flat angles P-C4'-P energy: -3.389 tors. eta vs tors. theta energy: -4.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 490 Temperature: 1.050000 Total energy: -38.271379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.271379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.271379 (E_RNA) where: Base-Base interactions energy: -13.148 where: short stacking energy: -13.148 Base-Backbone interact. energy: -0.194 local terms energy: -24.929748 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -3.452 flat angles P-C4'-P energy: -4.855 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: 5, replica: 6 ===================================== Write number: 490 Temperature: 1.100000 Total energy: -33.243900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.243900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.243900 (E_RNA) where: Base-Base interactions energy: -13.054 where: short stacking energy: -13.054 Base-Backbone interact. energy: -0.001 local terms energy: -20.188742 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -6.438 flat angles C4'-P-C4' energy: -4.544 flat angles P-C4'-P energy: -2.260 tors. eta vs tors. theta energy: -1.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 490 Temperature: 1.150000 Total energy: -28.739551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.739551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.739551 (E_RNA) where: Base-Base interactions energy: -8.301 where: short stacking energy: -8.301 Base-Backbone interact. energy: -0.123 local terms energy: -20.315820 where: bonds (distance) C4'-P energy: -4.975 bonds (distance) P-C4' energy: -5.082 flat angles C4'-P-C4' energy: -4.037 flat angles P-C4'-P energy: -4.685 tors. eta vs tors. theta energy: -1.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 490 Temperature: 1.200000 Total energy: -35.005990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.005990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.005990 (E_RNA) where: Base-Base interactions energy: -11.357 where: short stacking energy: -11.357 Base-Backbone interact. energy: -0.000 local terms energy: -23.649199 where: bonds (distance) C4'-P energy: -3.689 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.129 flat angles P-C4'-P energy: -4.617 tors. eta vs tors. theta energy: -3.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 490 Temperature: 1.250000 Total energy: -32.046621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.046621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.046621 (E_RNA) where: Base-Base interactions energy: -9.014 where: short stacking energy: -9.014 Base-Backbone interact. energy: -0.000 local terms energy: -23.032841 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -4.170 flat angles C4'-P-C4' energy: -6.824 flat angles P-C4'-P energy: -4.474 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: 9, replica: 10 ===================================== Write number: 490 Temperature: 1.300000 Total energy: -35.844479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.844479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.844479 (E_RNA) where: Base-Base interactions energy: -11.854 where: short stacking energy: -11.854 Base-Backbone interact. energy: -0.000 local terms energy: -23.990000 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -3.020 flat angles P-C4'-P energy: -4.530 tors. eta vs tors. theta energy: -4.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 490 Temperature: 1.350000 Total energy: -30.228573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.228573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.228573 (E_RNA) where: Base-Base interactions energy: -9.632 where: short stacking energy: -9.632 Base-Backbone interact. energy: -0.057 local terms energy: -20.539362 where: bonds (distance) C4'-P energy: -4.611 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -5.640 flat angles P-C4'-P energy: -4.125 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: 1, replica: 8 ===================================== Write number: 491 Temperature: 0.900000 Total energy: -42.477811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.477811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.477811 (E_RNA) where: Base-Base interactions energy: -15.508 where: short stacking energy: -15.508 Base-Backbone interact. energy: -0.001 local terms energy: -26.968949 where: bonds (distance) C4'-P energy: -6.044 bonds (distance) P-C4' energy: -6.382 flat angles C4'-P-C4' energy: -5.894 flat angles P-C4'-P energy: -4.368 tors. eta vs tors. theta energy: -4.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 491 Temperature: 0.950000 Total energy: -40.162358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.162358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.162358 (E_RNA) where: Base-Base interactions energy: -15.292 where: short stacking energy: -15.292 Base-Backbone interact. energy: -0.000 local terms energy: -24.870752 where: bonds (distance) C4'-P energy: -4.578 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -6.523 flat angles P-C4'-P energy: -4.975 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: 3, replica: 3 ===================================== Write number: 491 Temperature: 1.000000 Total energy: -34.809598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.809598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.809598 (E_RNA) where: Base-Base interactions energy: -13.253 where: short stacking energy: -13.253 Base-Backbone interact. energy: 0.547 local terms energy: -22.103532 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -5.299 flat angles P-C4'-P energy: -3.641 tors. eta vs tors. theta energy: -0.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 491 Temperature: 1.050000 Total energy: -36.959932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.959932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.959932 (E_RNA) where: Base-Base interactions energy: -14.283 where: short stacking energy: -14.283 Base-Backbone interact. energy: -0.005 local terms energy: -22.671450 where: bonds (distance) C4'-P energy: -6.014 bonds (distance) P-C4' energy: -3.976 flat angles C4'-P-C4' energy: -5.496 flat angles P-C4'-P energy: -5.202 tors. eta vs tors. theta energy: -1.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 491 Temperature: 1.100000 Total energy: -30.388606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.388606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.388606 (E_RNA) where: Base-Base interactions energy: -9.655 where: short stacking energy: -9.655 Base-Backbone interact. energy: -0.000 local terms energy: -20.733169 where: bonds (distance) C4'-P energy: -5.891 bonds (distance) P-C4' energy: -4.377 flat angles C4'-P-C4' energy: -4.280 flat angles P-C4'-P energy: -2.939 tors. eta vs tors. theta energy: -3.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 491 Temperature: 1.150000 Total energy: -35.765785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.765785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.765785 (E_RNA) where: Base-Base interactions energy: -13.707 where: short stacking energy: -13.707 Base-Backbone interact. energy: -0.085 local terms energy: -21.974307 where: bonds (distance) C4'-P energy: -3.407 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -4.350 flat angles P-C4'-P energy: -4.120 tors. eta vs tors. theta energy: -3.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 491 Temperature: 1.200000 Total energy: -31.593714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.593714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.593714 (E_RNA) where: Base-Base interactions energy: -9.898 where: short stacking energy: -9.898 Base-Backbone interact. energy: -0.003 local terms energy: -21.692536 where: bonds (distance) C4'-P energy: -5.535 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -4.512 flat angles P-C4'-P energy: -2.823 tors. eta vs tors. theta energy: -1.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 491 Temperature: 1.250000 Total energy: -33.620929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.620929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.620929 (E_RNA) where: Base-Base interactions energy: -12.753 where: short stacking energy: -12.753 Base-Backbone interact. energy: -0.013 local terms energy: -20.854891 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -5.920 flat angles C4'-P-C4' energy: -4.599 flat angles P-C4'-P energy: -3.309 tors. eta vs tors. theta energy: -1.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 491 Temperature: 1.300000 Total energy: -29.596823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.596823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.596823 (E_RNA) where: Base-Base interactions energy: -9.135 where: short stacking energy: -9.135 Base-Backbone interact. energy: -0.069 local terms energy: -20.393191 where: bonds (distance) C4'-P energy: -1.911 bonds (distance) P-C4' energy: -5.628 flat angles C4'-P-C4' energy: -5.230 flat angles P-C4'-P energy: -4.657 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: 1 ===================================== Write number: 491 Temperature: 1.350000 Total energy: -26.375005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.375005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.375005 (E_RNA) where: Base-Base interactions energy: -4.821 where: short stacking energy: -4.821 Base-Backbone interact. energy: -0.643 local terms energy: -20.911007 where: bonds (distance) C4'-P energy: -5.402 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -5.577 flat angles P-C4'-P energy: -3.449 tors. eta vs tors. theta energy: -0.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 492 Temperature: 0.900000 Total energy: -40.886771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.886771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.886771 (E_RNA) where: Base-Base interactions energy: -18.193 where: short stacking energy: -18.193 Base-Backbone interact. energy: -0.000 local terms energy: -22.693350 where: bonds (distance) C4'-P energy: -6.014 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.118 flat angles P-C4'-P energy: -3.619 tors. eta vs tors. theta energy: -1.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 492 Temperature: 0.950000 Total energy: -40.675084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.675084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.675084 (E_RNA) where: Base-Base interactions energy: -13.893 where: short stacking energy: -13.893 Base-Backbone interact. energy: -0.194 local terms energy: -26.588865 where: bonds (distance) C4'-P energy: -6.246 bonds (distance) P-C4' energy: -5.737 flat angles C4'-P-C4' energy: -6.411 flat angles P-C4'-P energy: -5.034 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: 6 ===================================== Write number: 492 Temperature: 1.000000 Total energy: -36.011652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.011652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.011652 (E_RNA) where: Base-Base interactions energy: -13.090 where: short stacking energy: -13.090 Base-Backbone interact. energy: -0.001 local terms energy: -22.920575 where: bonds (distance) C4'-P energy: -5.004 bonds (distance) P-C4' energy: -6.202 flat angles C4'-P-C4' energy: -3.847 flat angles P-C4'-P energy: -3.545 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: 4, replica: 3 ===================================== Write number: 492 Temperature: 1.050000 Total energy: -36.275282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.275282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.275282 (E_RNA) where: Base-Base interactions energy: -11.994 where: short stacking energy: -11.994 Base-Backbone interact. energy: -0.002 local terms energy: -24.278870 where: bonds (distance) C4'-P energy: -4.703 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.020 flat angles P-C4'-P energy: -5.013 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: 5, replica: 9 ===================================== Write number: 492 Temperature: 1.100000 Total energy: -35.275370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.275370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.275370 (E_RNA) where: Base-Base interactions energy: -12.772 where: short stacking energy: -12.772 Base-Backbone interact. energy: -0.002 local terms energy: -22.501015 where: bonds (distance) C4'-P energy: -4.462 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -5.699 flat angles P-C4'-P energy: -4.186 tors. eta vs tors. theta energy: -1.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 492 Temperature: 1.150000 Total energy: -30.909035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.909035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.909035 (E_RNA) where: Base-Base interactions energy: -10.307 where: short stacking energy: -10.307 Base-Backbone interact. energy: 1.044 local terms energy: -21.645479 where: bonds (distance) C4'-P energy: -2.554 bonds (distance) P-C4' energy: -5.534 flat angles C4'-P-C4' energy: -5.550 flat angles P-C4'-P energy: -3.934 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: 7, replica: 10 ===================================== Write number: 492 Temperature: 1.200000 Total energy: -31.446305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.446305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.446305 (E_RNA) where: Base-Base interactions energy: -10.153 where: short stacking energy: -10.153 Base-Backbone interact. energy: -0.001 local terms energy: -21.293100 where: bonds (distance) C4'-P energy: -2.483 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -6.152 flat angles P-C4'-P energy: -3.433 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: 7 ===================================== Write number: 492 Temperature: 1.250000 Total energy: -30.450748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.450748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.450748 (E_RNA) where: Base-Base interactions energy: -8.717 where: short stacking energy: -8.717 Base-Backbone interact. energy: -0.003 local terms energy: -21.730397 where: bonds (distance) C4'-P energy: -4.905 bonds (distance) P-C4' energy: -5.916 flat angles C4'-P-C4' energy: -5.392 flat angles P-C4'-P energy: -4.300 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: 9, replica: 1 ===================================== Write number: 492 Temperature: 1.300000 Total energy: -28.702352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.702352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.702352 (E_RNA) where: Base-Base interactions energy: -8.245 where: short stacking energy: -8.245 Base-Backbone interact. energy: -0.053 local terms energy: -20.404293 where: bonds (distance) C4'-P energy: -5.269 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -5.724 flat angles P-C4'-P energy: -1.636 tors. eta vs tors. theta energy: -0.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 492 Temperature: 1.350000 Total energy: -31.502377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.502377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.502377 (E_RNA) where: Base-Base interactions energy: -12.019 where: short stacking energy: -12.019 Base-Backbone interact. energy: -0.013 local terms energy: -19.470102 where: bonds (distance) C4'-P energy: -0.368 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -4.914 flat angles P-C4'-P energy: -1.592 tors. eta vs tors. theta energy: -5.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 493 Temperature: 0.900000 Total energy: -39.112464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.112464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.112464 (E_RNA) where: Base-Base interactions energy: -12.988 where: short stacking energy: -12.988 Base-Backbone interact. energy: -0.001 local terms energy: -26.122689 where: bonds (distance) C4'-P energy: -6.014 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -4.929 flat angles P-C4'-P energy: -3.305 tors. eta vs tors. theta energy: -4.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 493 Temperature: 0.950000 Total energy: -38.698195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.698195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.698195 (E_RNA) where: Base-Base interactions energy: -13.778 where: short stacking energy: -13.778 Base-Backbone interact. energy: -0.405 local terms energy: -24.515335 where: bonds (distance) C4'-P energy: -5.837 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.147 flat angles P-C4'-P energy: -4.042 tors. eta vs tors. theta energy: -2.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 493 Temperature: 1.000000 Total energy: -31.841722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.841722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.841722 (E_RNA) where: Base-Base interactions energy: -9.523 where: short stacking energy: -9.523 Base-Backbone interact. energy: -0.095 local terms energy: -22.224036 where: bonds (distance) C4'-P energy: -5.349 bonds (distance) P-C4' energy: -5.061 flat angles C4'-P-C4' energy: -5.529 flat angles P-C4'-P energy: -3.661 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: 4, replica: 9 ===================================== Write number: 493 Temperature: 1.050000 Total energy: -32.589475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.589475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.589475 (E_RNA) where: Base-Base interactions energy: -9.145 where: short stacking energy: -9.145 Base-Backbone interact. energy: -0.000 local terms energy: -23.443950 where: bonds (distance) C4'-P energy: -5.953 bonds (distance) P-C4' energy: -5.600 flat angles C4'-P-C4' energy: -5.004 flat angles P-C4'-P energy: -4.050 tors. eta vs tors. theta energy: -2.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 493 Temperature: 1.100000 Total energy: -34.225608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.225608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.225608 (E_RNA) where: Base-Base interactions energy: -10.541 where: short stacking energy: -7.415 Base-Backbone interact. energy: -0.626 local terms energy: -23.058496 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -3.860 flat angles P-C4'-P energy: -4.534 tors. eta vs tors. theta energy: -1.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 493 Temperature: 1.150000 Total energy: -33.163932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.163932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.163932 (E_RNA) where: Base-Base interactions energy: -8.891 where: short stacking energy: -8.891 Base-Backbone interact. energy: -0.065 local terms energy: -24.208328 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -5.530 flat angles C4'-P-C4' energy: -5.709 flat angles P-C4'-P energy: -5.259 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: 2 ===================================== Write number: 493 Temperature: 1.200000 Total energy: -32.283443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.283443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.283443 (E_RNA) where: Base-Base interactions energy: -13.348 where: short stacking energy: -13.348 Base-Backbone interact. energy: -0.068 local terms energy: -18.867408 where: bonds (distance) C4'-P energy: -5.473 bonds (distance) P-C4' energy: -3.734 flat angles C4'-P-C4' energy: -4.185 flat angles P-C4'-P energy: -4.165 tors. eta vs tors. theta energy: -1.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 493 Temperature: 1.250000 Total energy: -32.305252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.305252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.305252 (E_RNA) where: Base-Base interactions energy: -11.081 where: short stacking energy: -11.081 Base-Backbone interact. energy: -0.070 local terms energy: -21.153772 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -3.859 flat angles P-C4'-P energy: -4.225 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: 9, replica: 7 ===================================== Write number: 493 Temperature: 1.300000 Total energy: -27.282708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.282708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.282708 (E_RNA) where: Base-Base interactions energy: -8.757 where: short stacking energy: -8.757 Base-Backbone interact. energy: -0.059 local terms energy: -18.466444 where: bonds (distance) C4'-P energy: -5.348 bonds (distance) P-C4' energy: -5.530 flat angles C4'-P-C4' energy: -3.986 flat angles P-C4'-P energy: -4.625 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: 10, replica: 5 ===================================== Write number: 493 Temperature: 1.350000 Total energy: -33.075344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.075344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.075344 (E_RNA) where: Base-Base interactions energy: -11.496 where: short stacking energy: -11.496 Base-Backbone interact. energy: -0.000 local terms energy: -21.579160 where: bonds (distance) C4'-P energy: -5.651 bonds (distance) P-C4' energy: -5.830 flat angles C4'-P-C4' energy: -3.709 flat angles P-C4'-P energy: -5.109 tors. eta vs tors. theta energy: -1.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 494 Temperature: 0.900000 Total energy: -40.696919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.696919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.696919 (E_RNA) where: Base-Base interactions energy: -13.023 where: short stacking energy: -13.457 Base-Backbone interact. energy: -0.914 local terms energy: -26.759949 where: bonds (distance) C4'-P energy: -5.191 bonds (distance) P-C4' energy: -6.873 flat angles C4'-P-C4' energy: -5.065 flat angles P-C4'-P energy: -4.955 tors. eta vs tors. theta energy: -4.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 494 Temperature: 0.950000 Total energy: -39.148598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.148598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.148598 (E_RNA) where: Base-Base interactions energy: -15.028 where: short stacking energy: -15.028 Base-Backbone interact. energy: -0.000 local terms energy: -24.120497 where: bonds (distance) C4'-P energy: -5.750 bonds (distance) P-C4' energy: -4.951 flat angles C4'-P-C4' energy: -5.921 flat angles P-C4'-P energy: -3.975 tors. eta vs tors. theta energy: -3.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 494 Temperature: 1.000000 Total energy: -40.917102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.917102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.917102 (E_RNA) where: Base-Base interactions energy: -17.815 where: short stacking energy: -17.815 Base-Backbone interact. energy: -0.006 local terms energy: -23.095985 where: bonds (distance) C4'-P energy: -5.233 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -3.605 flat angles P-C4'-P energy: -3.646 tors. eta vs tors. theta energy: -4.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 494 Temperature: 1.050000 Total energy: -39.416297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.416297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.416297 (E_RNA) where: Base-Base interactions energy: -16.405 where: short stacking energy: -16.405 Base-Backbone interact. energy: -0.005 local terms energy: -23.006175 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -4.140 flat angles P-C4'-P energy: -4.731 tors. eta vs tors. theta energy: -1.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 494 Temperature: 1.100000 Total energy: -33.916627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.916627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.916627 (E_RNA) where: Base-Base interactions energy: -12.137 where: short stacking energy: -12.907 Base-Backbone interact. energy: -0.001 local terms energy: -21.778658 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -4.463 flat angles C4'-P-C4' energy: -4.917 flat angles P-C4'-P energy: -3.703 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: 6, replica: 3 ===================================== Write number: 494 Temperature: 1.150000 Total energy: -33.463980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.463980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.463980 (E_RNA) where: Base-Base interactions energy: -13.689 where: short stacking energy: -13.689 Base-Backbone interact. energy: -0.000 local terms energy: -19.774778 where: bonds (distance) C4'-P energy: -4.525 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -4.576 flat angles P-C4'-P energy: 2.244 tors. eta vs tors. theta energy: -6.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 494 Temperature: 1.200000 Total energy: -33.288107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.288107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.288107 (E_RNA) where: Base-Base interactions energy: -11.671 where: short stacking energy: -11.671 Base-Backbone interact. energy: -0.000 local terms energy: -21.617250 where: bonds (distance) C4'-P energy: -3.688 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -4.896 flat angles P-C4'-P energy: -3.813 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: 8, replica: 2 ===================================== Write number: 494 Temperature: 1.250000 Total energy: -32.938042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.938042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.938042 (E_RNA) where: Base-Base interactions energy: -9.408 where: short stacking energy: -9.408 Base-Backbone interact. energy: -0.000 local terms energy: -23.529945 where: bonds (distance) C4'-P energy: -5.626 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -3.026 flat angles P-C4'-P energy: -3.375 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: 9, replica: 5 ===================================== Write number: 494 Temperature: 1.300000 Total energy: -29.915157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.915157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.915157 (E_RNA) where: Base-Base interactions energy: -10.917 where: short stacking energy: -10.917 Base-Backbone interact. energy: -0.001 local terms energy: -18.997715 where: bonds (distance) C4'-P energy: -4.615 bonds (distance) P-C4' energy: -5.935 flat angles C4'-P-C4' energy: -4.474 flat angles P-C4'-P energy: -3.893 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: 494 Temperature: 1.350000 Total energy: -35.332381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.332381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.332381 (E_RNA) where: Base-Base interactions energy: -12.261 where: short stacking energy: -12.261 Base-Backbone interact. energy: -1.099 local terms energy: -21.972274 where: bonds (distance) C4'-P energy: -5.241 bonds (distance) P-C4' energy: -7.130 flat angles C4'-P-C4' energy: -5.295 flat angles P-C4'-P energy: -4.266 tors. eta vs tors. theta energy: -0.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 495 Temperature: 0.900000 Total energy: -41.296635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.296635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.296635 (E_RNA) where: Base-Base interactions energy: -14.239 where: short stacking energy: -14.239 Base-Backbone interact. energy: -0.102 local terms energy: -26.955540 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -4.830 flat angles P-C4'-P energy: -4.476 tors. eta vs tors. theta energy: -4.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 495 Temperature: 0.950000 Total energy: -40.305595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.305595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.305595 (E_RNA) where: Base-Base interactions energy: -13.811 where: short stacking energy: -13.811 Base-Backbone interact. energy: -0.004 local terms energy: -26.491208 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -5.892 flat angles C4'-P-C4' energy: -6.010 flat angles P-C4'-P energy: -4.252 tors. eta vs tors. theta energy: -5.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 495 Temperature: 1.000000 Total energy: -34.488511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.488511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.488511 (E_RNA) where: Base-Base interactions energy: -12.874 where: short stacking energy: -12.874 Base-Backbone interact. energy: -0.099 local terms energy: -21.515385 where: bonds (distance) C4'-P energy: -4.006 bonds (distance) P-C4' energy: -5.445 flat angles C4'-P-C4' energy: -5.657 flat angles P-C4'-P energy: -4.089 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: 10 ===================================== Write number: 495 Temperature: 1.050000 Total energy: -38.269609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.269609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.269609 (E_RNA) where: Base-Base interactions energy: -16.498 where: short stacking energy: -16.498 Base-Backbone interact. energy: -0.000 local terms energy: -21.771868 where: bonds (distance) C4'-P energy: -3.733 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -5.360 flat angles P-C4'-P energy: -2.289 tors. eta vs tors. theta energy: -4.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 495 Temperature: 1.100000 Total energy: -34.840618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.840618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.840618 (E_RNA) where: Base-Base interactions energy: -10.976 where: short stacking energy: -10.976 Base-Backbone interact. energy: -0.000 local terms energy: -23.864406 where: bonds (distance) C4'-P energy: -4.570 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.394 flat angles P-C4'-P energy: -4.098 tors. eta vs tors. theta energy: -3.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 495 Temperature: 1.150000 Total energy: -29.477108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.477108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.477108 (E_RNA) where: Base-Base interactions energy: -6.845 where: short stacking energy: -6.845 Base-Backbone interact. energy: -0.027 local terms energy: -22.605415 where: bonds (distance) C4'-P energy: -6.354 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.417 flat angles P-C4'-P energy: -4.013 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: 7, replica: 3 ===================================== Write number: 495 Temperature: 1.200000 Total energy: -31.707980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.707980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.707980 (E_RNA) where: Base-Base interactions energy: -11.380 where: short stacking energy: -11.380 Base-Backbone interact. energy: -0.000 local terms energy: -20.327031 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -3.973 flat angles C4'-P-C4' energy: -3.692 flat angles P-C4'-P energy: -4.666 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: 8, replica: 5 ===================================== Write number: 495 Temperature: 1.250000 Total energy: -30.053362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.053362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.053362 (E_RNA) where: Base-Base interactions energy: -10.069 where: short stacking energy: -10.069 Base-Backbone interact. energy: -0.000 local terms energy: -19.984437 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -5.572 flat angles C4'-P-C4' energy: -5.278 flat angles P-C4'-P energy: -2.692 tors. eta vs tors. theta energy: -1.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 495 Temperature: 1.300000 Total energy: -33.405085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.405085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.405085 (E_RNA) where: Base-Base interactions energy: -12.663 where: short stacking energy: -12.663 Base-Backbone interact. energy: -0.017 local terms energy: -20.725270 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -6.129 flat angles C4'-P-C4' energy: -4.516 flat angles P-C4'-P energy: -3.585 tors. eta vs tors. theta energy: -1.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 495 Temperature: 1.350000 Total energy: -32.195820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.195820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.195820 (E_RNA) where: Base-Base interactions energy: -11.533 where: short stacking energy: -11.533 Base-Backbone interact. energy: -0.000 local terms energy: -20.662359 where: bonds (distance) C4'-P energy: -3.779 bonds (distance) P-C4' energy: -4.638 flat angles C4'-P-C4' energy: -5.006 flat angles P-C4'-P energy: -3.171 tors. eta vs tors. theta energy: -4.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 496 Temperature: 0.900000 Total energy: -37.826315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.826315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.826315 (E_RNA) where: Base-Base interactions energy: -11.606 where: short stacking energy: -11.606 Base-Backbone interact. energy: -0.005 local terms energy: -26.215689 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -5.206 flat angles P-C4'-P energy: -5.085 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: 2, replica: 4 ===================================== Write number: 496 Temperature: 0.950000 Total energy: -37.545675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.545675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.545675 (E_RNA) where: Base-Base interactions energy: -13.583 where: short stacking energy: -13.583 Base-Backbone interact. energy: -0.000 local terms energy: -23.962613 where: bonds (distance) C4'-P energy: -6.006 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -5.216 flat angles P-C4'-P energy: -4.872 tors. eta vs tors. theta energy: -1.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 496 Temperature: 1.000000 Total energy: -33.974046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.974046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.974046 (E_RNA) where: Base-Base interactions energy: -12.458 where: short stacking energy: -12.458 Base-Backbone interact. energy: -0.001 local terms energy: -21.515119 where: bonds (distance) C4'-P energy: -4.639 bonds (distance) P-C4' energy: -5.830 flat angles C4'-P-C4' energy: -5.797 flat angles P-C4'-P energy: -1.864 tors. eta vs tors. theta energy: -3.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 496 Temperature: 1.050000 Total energy: -39.577209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.577209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.577209 (E_RNA) where: Base-Base interactions energy: -12.509 where: short stacking energy: -12.509 Base-Backbone interact. energy: -0.000 local terms energy: -27.068386 where: bonds (distance) C4'-P energy: -5.295 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -6.538 flat angles P-C4'-P energy: -2.921 tors. eta vs tors. theta energy: -5.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 496 Temperature: 1.100000 Total energy: -37.054195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.054195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.054195 (E_RNA) where: Base-Base interactions energy: -11.126 where: short stacking energy: -11.126 Base-Backbone interact. energy: -0.000 local terms energy: -25.928129 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -5.701 flat angles P-C4'-P energy: -4.786 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: 6, replica: 8 ===================================== Write number: 496 Temperature: 1.150000 Total energy: -36.220724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.220724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.220724 (E_RNA) where: Base-Base interactions energy: -12.216 where: short stacking energy: -12.216 Base-Backbone interact. energy: -0.093 local terms energy: -23.911116 where: bonds (distance) C4'-P energy: -5.845 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -4.426 flat angles P-C4'-P energy: -3.412 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: 5 ===================================== Write number: 496 Temperature: 1.200000 Total energy: -31.102228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.102228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.102228 (E_RNA) where: Base-Base interactions energy: -10.027 where: short stacking energy: -10.027 Base-Backbone interact. energy: -0.002 local terms energy: -21.073809 where: bonds (distance) C4'-P energy: -4.239 bonds (distance) P-C4' energy: -5.579 flat angles C4'-P-C4' energy: -6.518 flat angles P-C4'-P energy: -3.339 tors. eta vs tors. theta energy: -1.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 496 Temperature: 1.250000 Total energy: -28.418409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.418409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.418409 (E_RNA) where: Base-Base interactions energy: -13.650 where: short stacking energy: -13.650 Base-Backbone interact. energy: -0.025 local terms energy: -14.742970 where: bonds (distance) C4'-P energy: -5.075 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -4.284 flat angles P-C4'-P energy: 1.860 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: 9, replica: 7 ===================================== Write number: 496 Temperature: 1.300000 Total energy: -30.172443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.172443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.172443 (E_RNA) where: Base-Base interactions energy: -9.680 where: short stacking energy: -9.680 Base-Backbone interact. energy: -0.000 local terms energy: -20.492722 where: bonds (distance) C4'-P energy: -5.837 bonds (distance) P-C4' energy: -4.653 flat angles C4'-P-C4' energy: -4.878 flat angles P-C4'-P energy: -3.203 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: 10, replica: 2 ===================================== Write number: 496 Temperature: 1.350000 Total energy: -30.811117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.811117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.811117 (E_RNA) where: Base-Base interactions energy: -12.234 where: short stacking energy: -12.234 Base-Backbone interact. energy: -0.004 local terms energy: -18.573697 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -5.604 flat angles C4'-P-C4' energy: -2.408 flat angles P-C4'-P energy: -1.740 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: 1, replica: 9 ===================================== Write number: 497 Temperature: 0.900000 Total energy: -37.022747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.022747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.022747 (E_RNA) where: Base-Base interactions energy: -15.489 where: short stacking energy: -15.489 Base-Backbone interact. energy: -0.002 local terms energy: -21.532471 where: bonds (distance) C4'-P energy: -5.306 bonds (distance) P-C4' energy: -5.607 flat angles C4'-P-C4' energy: -4.974 flat angles P-C4'-P energy: -3.566 tors. eta vs tors. theta energy: -2.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 497 Temperature: 0.950000 Total energy: -38.860322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.860322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.860322 (E_RNA) where: Base-Base interactions energy: -13.122 where: short stacking energy: -13.122 Base-Backbone interact. energy: -0.567 local terms energy: -25.171085 where: bonds (distance) C4'-P energy: -5.729 bonds (distance) P-C4' energy: -4.560 flat angles C4'-P-C4' energy: -5.622 flat angles P-C4'-P energy: -3.940 tors. eta vs tors. theta energy: -5.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 497 Temperature: 1.000000 Total energy: -35.248477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.248477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.248477 (E_RNA) where: Base-Base interactions energy: -11.244 where: short stacking energy: -11.244 Base-Backbone interact. energy: -0.000 local terms energy: -24.004094 where: bonds (distance) C4'-P energy: -4.967 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -5.499 flat angles P-C4'-P energy: -3.992 tors. eta vs tors. theta energy: -2.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 497 Temperature: 1.050000 Total energy: -37.121304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.121304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.121304 (E_RNA) where: Base-Base interactions energy: -10.017 where: short stacking energy: -10.017 Base-Backbone interact. energy: -2.243 local terms energy: -24.861078 where: bonds (distance) C4'-P energy: -5.171 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -6.229 flat angles P-C4'-P energy: -4.491 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: 6 ===================================== Write number: 497 Temperature: 1.100000 Total energy: -37.955102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.955102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.955102 (E_RNA) where: Base-Base interactions energy: -13.273 where: short stacking energy: -13.273 Base-Backbone interact. energy: -0.000 local terms energy: -24.681936 where: bonds (distance) C4'-P energy: -6.105 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -4.760 flat angles P-C4'-P energy: -4.184 tors. eta vs tors. theta energy: -2.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 497 Temperature: 1.150000 Total energy: -35.631606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.631606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.631606 (E_RNA) where: Base-Base interactions energy: -12.888 where: short stacking energy: -12.888 Base-Backbone interact. energy: -0.000 local terms energy: -22.743853 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -4.013 flat angles P-C4'-P energy: -1.032 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: 7, replica: 8 ===================================== Write number: 497 Temperature: 1.200000 Total energy: -31.298277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.298277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.298277 (E_RNA) where: Base-Base interactions energy: -8.552 where: short stacking energy: -8.552 Base-Backbone interact. energy: -0.100 local terms energy: -22.646269 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -6.190 flat angles P-C4'-P energy: -3.857 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: 8, replica: 7 ===================================== Write number: 497 Temperature: 1.250000 Total energy: -29.542630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.542630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.542630 (E_RNA) where: Base-Base interactions energy: -7.296 where: short stacking energy: -7.296 Base-Backbone interact. energy: -0.092 local terms energy: -22.154909 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -5.656 flat angles P-C4'-P energy: -4.398 tors. eta vs tors. theta energy: 0.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 497 Temperature: 1.300000 Total energy: -28.770472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.770472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.770472 (E_RNA) where: Base-Base interactions energy: -8.814 where: short stacking energy: -8.814 Base-Backbone interact. energy: -0.006 local terms energy: -19.950274 where: bonds (distance) C4'-P energy: -4.611 bonds (distance) P-C4' energy: -6.358 flat angles C4'-P-C4' energy: -5.094 flat angles P-C4'-P energy: -3.466 tors. eta vs tors. theta energy: -0.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 497 Temperature: 1.350000 Total energy: -29.117965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.117965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.117965 (E_RNA) where: Base-Base interactions energy: -5.725 where: short stacking energy: -5.725 Base-Backbone interact. energy: -0.000 local terms energy: -23.393055 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -6.327 flat angles P-C4'-P energy: -2.081 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: 1, replica: 10 ===================================== Write number: 498 Temperature: 0.900000 Total energy: -40.678881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.678881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.678881 (E_RNA) where: Base-Base interactions energy: -13.960 where: short stacking energy: -13.960 Base-Backbone interact. energy: -0.002 local terms energy: -26.717453 where: bonds (distance) C4'-P energy: -5.775 bonds (distance) P-C4' energy: -5.837 flat angles C4'-P-C4' energy: -6.534 flat angles P-C4'-P energy: -4.362 tors. eta vs tors. theta energy: -4.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 498 Temperature: 0.950000 Total energy: -40.365166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.365166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.365166 (E_RNA) where: Base-Base interactions energy: -17.206 where: short stacking energy: -17.206 Base-Backbone interact. energy: -0.000 local terms energy: -23.158781 where: bonds (distance) C4'-P energy: -2.342 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -5.606 flat angles P-C4'-P energy: -3.033 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: 3, replica: 4 ===================================== Write number: 498 Temperature: 1.000000 Total energy: -40.489938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.489938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.489938 (E_RNA) where: Base-Base interactions energy: -14.448 where: short stacking energy: -14.448 Base-Backbone interact. energy: -0.001 local terms energy: -26.041477 where: bonds (distance) C4'-P energy: -5.261 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -5.408 flat angles P-C4'-P energy: -5.135 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: 4, replica: 1 ===================================== Write number: 498 Temperature: 1.050000 Total energy: -39.760067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.760067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.760067 (E_RNA) where: Base-Base interactions energy: -13.634 where: short stacking energy: -13.634 Base-Backbone interact. energy: -0.103 local terms energy: -26.023025 where: bonds (distance) C4'-P energy: -4.988 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -4.825 flat angles P-C4'-P energy: -5.513 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: 5, replica: 5 ===================================== Write number: 498 Temperature: 1.100000 Total energy: -34.361728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.361728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.361728 (E_RNA) where: Base-Base interactions energy: -12.330 where: short stacking energy: -12.330 Base-Backbone interact. energy: -0.001 local terms energy: -22.030636 where: bonds (distance) C4'-P energy: -4.214 bonds (distance) P-C4' energy: -5.723 flat angles C4'-P-C4' energy: -4.096 flat angles P-C4'-P energy: -2.462 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: 6, replica: 6 ===================================== Write number: 498 Temperature: 1.150000 Total energy: -33.925187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.925187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.925187 (E_RNA) where: Base-Base interactions energy: -10.496 where: short stacking energy: -10.496 Base-Backbone interact. energy: -0.001 local terms energy: -23.427877 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -5.904 flat angles P-C4'-P energy: -5.146 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: 7, replica: 8 ===================================== Write number: 498 Temperature: 1.200000 Total energy: -32.809092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.809092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.809092 (E_RNA) where: Base-Base interactions energy: -8.468 where: short stacking energy: -8.468 Base-Backbone interact. energy: -0.069 local terms energy: -24.272377 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -5.482 flat angles P-C4'-P energy: -3.249 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: 8, replica: 7 ===================================== Write number: 498 Temperature: 1.250000 Total energy: -32.658728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.658728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.658728 (E_RNA) where: Base-Base interactions energy: -12.742 where: short stacking energy: -12.742 Base-Backbone interact. energy: -0.000 local terms energy: -19.916521 where: bonds (distance) C4'-P energy: -5.075 bonds (distance) P-C4' energy: -5.236 flat angles C4'-P-C4' energy: -4.474 flat angles P-C4'-P energy: -2.439 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: 9, replica: 2 ===================================== Write number: 498 Temperature: 1.300000 Total energy: -27.844927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.844927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.844927 (E_RNA) where: Base-Base interactions energy: -9.020 where: short stacking energy: -9.020 Base-Backbone interact. energy: -0.000 local terms energy: -18.825237 where: bonds (distance) C4'-P energy: -5.047 bonds (distance) P-C4' energy: -6.438 flat angles C4'-P-C4' energy: -1.783 flat angles P-C4'-P energy: -3.615 tors. eta vs tors. theta energy: -1.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 498 Temperature: 1.350000 Total energy: -31.007741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.007741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.007741 (E_RNA) where: Base-Base interactions energy: -7.837 where: short stacking energy: -7.837 Base-Backbone interact. energy: -0.094 local terms energy: -23.076577 where: bonds (distance) C4'-P energy: -5.091 bonds (distance) P-C4' energy: -5.833 flat angles C4'-P-C4' energy: -5.518 flat angles P-C4'-P energy: -4.329 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: 10 ===================================== Write number: 499 Temperature: 0.900000 Total energy: -42.406197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.406197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.406197 (E_RNA) where: Base-Base interactions energy: -16.836 where: short stacking energy: -16.836 Base-Backbone interact. energy: -0.000 local terms energy: -25.569972 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.765 flat angles P-C4'-P energy: -3.185 tors. eta vs tors. theta energy: -4.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 499 Temperature: 0.950000 Total energy: -35.272036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.272036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.272036 (E_RNA) where: Base-Base interactions energy: -15.958 where: short stacking energy: -15.958 Base-Backbone interact. energy: -0.018 local terms energy: -19.295496 where: bonds (distance) C4'-P energy: -1.928 bonds (distance) P-C4' energy: -5.209 flat angles C4'-P-C4' energy: -6.191 flat angles P-C4'-P energy: -3.391 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: 3, replica: 9 ===================================== Write number: 499 Temperature: 1.000000 Total energy: -38.095997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.095997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.095997 (E_RNA) where: Base-Base interactions energy: -14.773 where: short stacking energy: -14.773 Base-Backbone interact. energy: -0.097 local terms energy: -23.226181 where: bonds (distance) C4'-P energy: -5.261 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -5.502 flat angles P-C4'-P energy: -3.707 tors. eta vs tors. theta energy: -2.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 499 Temperature: 1.050000 Total energy: -36.623568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.623568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.623568 (E_RNA) where: Base-Base interactions energy: -12.644 where: short stacking energy: -12.644 Base-Backbone interact. energy: -0.001 local terms energy: -23.978777 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -5.844 flat angles P-C4'-P energy: -3.066 tors. eta vs tors. theta energy: -2.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 499 Temperature: 1.100000 Total energy: -36.268535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.268535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.268535 (E_RNA) where: Base-Base interactions energy: -12.099 where: short stacking energy: -12.099 Base-Backbone interact. energy: -0.008 local terms energy: -24.161669 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -5.534 flat angles C4'-P-C4' energy: -6.558 flat angles P-C4'-P energy: -3.522 tors. eta vs tors. theta energy: -3.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 499 Temperature: 1.150000 Total energy: -34.425384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.425384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.425384 (E_RNA) where: Base-Base interactions energy: -10.850 where: short stacking energy: -10.850 Base-Backbone interact. energy: -0.021 local terms energy: -23.553656 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.553 flat angles P-C4'-P energy: -3.710 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: 6 ===================================== Write number: 499 Temperature: 1.200000 Total energy: -32.163937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.163937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.163937 (E_RNA) where: Base-Base interactions energy: -12.976 where: short stacking energy: -12.976 Base-Backbone interact. energy: -0.024 local terms energy: -19.163520 where: bonds (distance) C4'-P energy: -3.369 bonds (distance) P-C4' energy: -4.162 flat angles C4'-P-C4' energy: -5.991 flat angles P-C4'-P energy: -3.974 tors. eta vs tors. theta energy: -1.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 499 Temperature: 1.250000 Total energy: -31.484862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.484862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.484862 (E_RNA) where: Base-Base interactions energy: -9.625 where: short stacking energy: -9.625 Base-Backbone interact. energy: -0.014 local terms energy: -21.846204 where: bonds (distance) C4'-P energy: -4.665 bonds (distance) P-C4' energy: -4.935 flat angles C4'-P-C4' energy: -4.680 flat angles P-C4'-P energy: -4.022 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: 9, replica: 7 ===================================== Write number: 499 Temperature: 1.300000 Total energy: -31.045632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.045632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.045632 (E_RNA) where: Base-Base interactions energy: -10.942 where: short stacking energy: -11.042 Base-Backbone interact. energy: -0.026 local terms energy: -20.078246 where: bonds (distance) C4'-P energy: -5.750 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -2.605 flat angles P-C4'-P energy: -2.922 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: 10, replica: 3 ===================================== Write number: 499 Temperature: 1.350000 Total energy: -31.403679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.403679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.403679 (E_RNA) where: Base-Base interactions energy: -11.536 where: short stacking energy: -11.536 Base-Backbone interact. energy: -0.010 local terms energy: -19.857402 where: bonds (distance) C4'-P energy: -2.392 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -4.964 flat angles P-C4'-P energy: -3.349 tors. eta vs tors. theta energy: -2.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 500 Temperature: 0.900000 Total energy: -39.922608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.922608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.922608 (E_RNA) where: Base-Base interactions energy: -15.924 where: short stacking energy: -15.924 Base-Backbone interact. energy: -0.000 local terms energy: -23.998737 where: bonds (distance) C4'-P energy: -4.983 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -6.818 flat angles P-C4'-P energy: -0.854 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: 10 ===================================== Write number: 500 Temperature: 0.950000 Total energy: -38.534874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.534874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.534874 (E_RNA) where: Base-Base interactions energy: -14.112 where: short stacking energy: -14.112 Base-Backbone interact. energy: -0.001 local terms energy: -24.422187 where: bonds (distance) C4'-P energy: -5.659 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -5.967 flat angles P-C4'-P energy: -3.353 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: 3, replica: 5 ===================================== Write number: 500 Temperature: 1.000000 Total energy: -38.449949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.449949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.449949 (E_RNA) where: Base-Base interactions energy: -14.570 where: short stacking energy: -14.570 Base-Backbone interact. energy: -0.000 local terms energy: -23.880284 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -5.758 flat angles P-C4'-P energy: -3.603 tors. eta vs tors. theta energy: -2.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 500 Temperature: 1.050000 Total energy: -33.843400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.843400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.843400 (E_RNA) where: Base-Base interactions energy: -13.095 where: short stacking energy: -13.095 Base-Backbone interact. energy: -0.067 local terms energy: -20.681508 where: bonds (distance) C4'-P energy: -4.731 bonds (distance) P-C4' energy: -6.199 flat angles C4'-P-C4' energy: -4.838 flat angles P-C4'-P energy: -4.283 tors. eta vs tors. theta energy: -0.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 500 Temperature: 1.100000 Total energy: -33.676914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.676914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.676914 (E_RNA) where: Base-Base interactions energy: -12.121 where: short stacking energy: -12.121 Base-Backbone interact. energy: -0.003 local terms energy: -21.552324 where: bonds (distance) C4'-P energy: -5.580 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -5.043 flat angles P-C4'-P energy: -2.697 tors. eta vs tors. theta energy: -1.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 500 Temperature: 1.150000 Total energy: -33.495215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.495215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.495215 (E_RNA) where: Base-Base interactions energy: -11.270 where: short stacking energy: -11.270 Base-Backbone interact. energy: -0.082 local terms energy: -22.142854 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -5.078 flat angles C4'-P-C4' energy: -5.677 flat angles P-C4'-P energy: -4.027 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: 7, replica: 2 ===================================== Write number: 500 Temperature: 1.200000 Total energy: -31.732225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.732225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.732225 (E_RNA) where: Base-Base interactions energy: -8.632 where: short stacking energy: -8.632 Base-Backbone interact. energy: -0.019 local terms energy: -23.081058 where: bonds (distance) C4'-P energy: -5.029 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.709 flat angles P-C4'-P energy: -4.877 tors. eta vs tors. theta energy: -0.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 500 Temperature: 1.250000 Total energy: -34.007329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.007329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.007329 (E_RNA) where: Base-Base interactions energy: -16.784 where: short stacking energy: -16.784 Base-Backbone interact. energy: -0.000 local terms energy: -17.222906 where: bonds (distance) C4'-P energy: -4.508 bonds (distance) P-C4' energy: -4.624 flat angles C4'-P-C4' energy: -4.640 flat angles P-C4'-P energy: -1.256 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: 9, replica: 3 ===================================== Write number: 500 Temperature: 1.300000 Total energy: -29.761450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.761450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.761450 (E_RNA) where: Base-Base interactions energy: -10.506 where: short stacking energy: -10.506 Base-Backbone interact. energy: -0.094 local terms energy: -19.161083 where: bonds (distance) C4'-P energy: -5.419 bonds (distance) P-C4' energy: -3.902 flat angles C4'-P-C4' energy: -3.929 flat angles P-C4'-P energy: -3.875 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: 10, replica: 7 ===================================== Write number: 500 Temperature: 1.350000 Total energy: -30.603255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.603255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.603255 (E_RNA) where: Base-Base interactions energy: -9.745 where: short stacking energy: -9.745 Base-Backbone interact. energy: -0.004 local terms energy: -20.854175 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -5.438 flat angles C4'-P-C4' energy: -4.899 flat angles P-C4'-P energy: -1.509 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: 1, replica: 4 ===================================== Write number: 501 Temperature: 0.900000 Total energy: -44.219168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.219168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.219168 (E_RNA) where: Base-Base interactions energy: -17.164 where: short stacking energy: -17.164 Base-Backbone interact. energy: -0.000 local terms energy: -27.054958 where: bonds (distance) C4'-P energy: -5.199 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.327 flat angles P-C4'-P energy: -4.245 tors. eta vs tors. theta energy: -5.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 501 Temperature: 0.950000 Total energy: -36.018775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.018775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.018775 (E_RNA) where: Base-Base interactions energy: -12.955 where: short stacking energy: -12.955 Base-Backbone interact. energy: -0.075 local terms energy: -22.988796 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -5.442 flat angles C4'-P-C4' energy: -6.401 flat angles P-C4'-P energy: -4.272 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: 3, replica: 5 ===================================== Write number: 501 Temperature: 1.000000 Total energy: -37.422608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.422608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.422608 (E_RNA) where: Base-Base interactions energy: -14.491 where: short stacking energy: -14.491 Base-Backbone interact. energy: -0.002 local terms energy: -22.930141 where: bonds (distance) C4'-P energy: -3.262 bonds (distance) P-C4' energy: -5.364 flat angles C4'-P-C4' energy: -5.099 flat angles P-C4'-P energy: -4.772 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: 4, replica: 9 ===================================== Write number: 501 Temperature: 1.050000 Total energy: -35.095066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.095066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.095066 (E_RNA) where: Base-Base interactions energy: -10.506 where: short stacking energy: -10.506 Base-Backbone interact. energy: -0.006 local terms energy: -24.582961 where: bonds (distance) C4'-P energy: -5.163 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -5.145 flat angles P-C4'-P energy: -4.149 tors. eta vs tors. theta energy: -3.674 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: 5, replica: 8 ===================================== Write number: 501 Temperature: 1.100000 Total energy: -36.615256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.615256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.615256 (E_RNA) where: Base-Base interactions energy: -14.579 where: short stacking energy: -14.579 Base-Backbone interact. energy: -0.000 local terms energy: -22.035978 where: bonds (distance) C4'-P energy: -3.833 bonds (distance) P-C4' energy: -4.914 flat angles C4'-P-C4' energy: -5.649 flat angles P-C4'-P energy: -3.969 tors. eta vs tors. theta energy: -3.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 501 Temperature: 1.150000 Total energy: -35.559798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.559798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.559798 (E_RNA) where: Base-Base interactions energy: -10.977 where: short stacking energy: -10.977 Base-Backbone interact. energy: -0.074 local terms energy: -24.509221 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -3.698 flat angles P-C4'-P energy: -4.384 tors. eta vs tors. theta energy: -3.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 501 Temperature: 1.200000 Total energy: -32.840551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.840551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.840551 (E_RNA) where: Base-Base interactions energy: -12.603 where: short stacking energy: -12.603 Base-Backbone interact. energy: -0.043 local terms energy: -20.194270 where: bonds (distance) C4'-P energy: -3.981 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -3.702 flat angles P-C4'-P energy: -3.723 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: 6 ===================================== Write number: 501 Temperature: 1.250000 Total energy: -35.958414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.958414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.958414 (E_RNA) where: Base-Base interactions energy: -11.338 where: short stacking energy: -11.338 Base-Backbone interact. energy: -0.000 local terms energy: -24.620293 where: bonds (distance) C4'-P energy: -3.228 bonds (distance) P-C4' energy: -6.364 flat angles C4'-P-C4' energy: -5.105 flat angles P-C4'-P energy: -2.498 tors. eta vs tors. theta energy: -7.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 501 Temperature: 1.300000 Total energy: -30.663622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.663622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.663622 (E_RNA) where: Base-Base interactions energy: -11.865 where: short stacking energy: -11.865 Base-Backbone interact. energy: -0.016 local terms energy: -18.782659 where: bonds (distance) C4'-P energy: -3.387 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -3.751 flat angles P-C4'-P energy: -3.529 tors. eta vs tors. theta energy: -1.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 501 Temperature: 1.350000 Total energy: -30.090894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.090894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.090894 (E_RNA) where: Base-Base interactions energy: -8.972 where: short stacking energy: -8.972 Base-Backbone interact. energy: -0.006 local terms energy: -21.112863 where: bonds (distance) C4'-P energy: -3.159 bonds (distance) P-C4' energy: -6.199 flat angles C4'-P-C4' energy: -4.159 flat angles P-C4'-P energy: -3.465 tors. eta vs tors. theta energy: -4.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) replica 10 ended at temp. level: 1, temp: 0.900000 for this replica: moves confirmed at first: 8866423 moves confirmed later: 11599522 all moves confirmed: 20465945 percent of confirmed moves: 2.558243 current total energy: -20.083792 recalc. total energy: -20.083792 replica 4 ended at temp. level: 2, temp: 0.950000 for this replica: moves confirmed at first: 8865528 moves confirmed later: 11616963 all moves confirmed: 20482491 percent of confirmed moves: 2.560311 current total energy: -20.836425 recalc. total energy: -20.836425 replica 9 ended at temp. level: 3, temp: 1.000000 for this replica: moves confirmed at first: 8892301 moves confirmed later: 11649012 all moves confirmed: 20541313 percent of confirmed moves: 2.567664 current total energy: -11.540121 recalc. total energy: -11.540121 replica 5 ended at temp. level: 4, temp: 1.050000 for this replica: moves confirmed at first: 8928951 moves confirmed later: 11722107 all moves confirmed: 20651058 percent of confirmed moves: 2.581382 current total energy: -28.578407 recalc. total energy: -28.578407 replica 1 ended at temp. level: 5, temp: 1.100000 for this replica: moves confirmed at first: 8805514 moves confirmed later: 11517563 all moves confirmed: 20323077 percent of confirmed moves: 2.540385 current total energy: -13.821692 recalc. total energy: -13.821692 replica 8 ended at temp. level: 6, temp: 1.150000 for this replica: moves confirmed at first: 8834103 moves confirmed later: 11576077 all moves confirmed: 20410180 percent of confirmed moves: 2.551273 current total energy: -17.360073 recalc. total energy: -17.360073 replica 6 ended at temp. level: 7, temp: 1.200000 for this replica: moves confirmed at first: 8917730 moves confirmed later: 11687784 all moves confirmed: 20605514 percent of confirmed moves: 2.575689 current total energy: -7.614794 recalc. total energy: -7.614794 replica 2 ended at temp. level: 8, temp: 1.250000 for this replica: moves confirmed at first: 8893019 moves confirmed later: 11651909 all moves confirmed: 20544928 percent of confirmed moves: 2.568116 current total energy: -6.851992 recalc. total energy: -6.851992 replica 7 ended at temp. level: 9, temp: 1.300000 for this replica: moves confirmed at first: 8879806 moves confirmed later: 11639420 all moves confirmed: 20519226 percent of confirmed moves: 2.564903 current total energy: -0.099990 recalc. total energy: -0.099990 replica 3 ended at temp. level: 10, temp: 1.350000 for this replica: moves confirmed at first: 8843297 moves confirmed later: 11576378 all moves confirmed: 20419675 percent of confirmed moves: 2.552459 current total energy: -9.934625 recalc. total energy: -9.934625 out arg RESULTS//1/5mpg_rna-21713847_01 Time of doing 8000000 iterations: 273.565 seconds