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-c6774990/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/5mpg_rna-c6774990/inputs/seq.fa: 1 curr_seq: _UCAGUU_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UCAGUU 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 6 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: 35 n_atoms_counter: 35 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 chain: 1: _xxxxxx_ 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 RNAStructure::tertiaryStrcWeight = 1.000000 EntireStructure::rnaStruct limitingSphereRadius : 6.000000 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-c6774990/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/5mpg_rna-c6774990/inputs/seq.fa: 1 curr_seq: _UCAGUU_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UCAGUU 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 6 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: 35 n_atoms_counter: 35 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 chain: 1: _xxxxxx_ 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 RNAStructure::tertiaryStrcWeight = 1.000000 EntireStructure::rnaStruct limitingSphereRadius : 6.000000 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-c6774990/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/5mpg_rna-c6774990/inputs/seq.fa: 1 curr_seq: _UCAGUU_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UCAGUU 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 6 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: 35 n_atoms_counter: 35 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 chain: 1: _xxxxxx_ 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 RNAStructure::tertiaryStrcWeight = 1.000000 EntireStructure::rnaStruct limitingSphereRadius : 6.000000 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-c6774990/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/5mpg_rna-c6774990/inputs/seq.fa: 1 curr_seq: _UCAGUU_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UCAGUU 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 6 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: 35 n_atoms_counter: 35 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 chain: 1: _xxxxxx_ 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 RNAStructure::tertiaryStrcWeight = 1.000000 EntireStructure::rnaStruct limitingSphereRadius : 6.000000 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-c6774990/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/5mpg_rna-c6774990/inputs/seq.fa: 1 curr_seq: _UCAGUU_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UCAGUU 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 6 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: 35 n_atoms_counter: 35 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 chain: 1: _xxxxxx_ 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 RNAStructure::tertiaryStrcWeight = 1.000000 EntireStructure::rnaStruct limitingSphereRadius : 6.000000 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-c6774990/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/5mpg_rna-c6774990/inputs/seq.fa: 1 curr_seq: _UCAGUU_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UCAGUU 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 6 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: 35 n_atoms_counter: 35 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 chain: 1: _xxxxxx_ 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 RNAStructure::tertiaryStrcWeight = 1.000000 EntireStructure::rnaStruct limitingSphereRadius : 6.000000 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-c6774990/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/5mpg_rna-c6774990/inputs/seq.fa: 1 curr_seq: _UCAGUU_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UCAGUU 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 6 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: 35 n_atoms_counter: 35 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 chain: 1: _xxxxxx_ 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 RNAStructure::tertiaryStrcWeight = 1.000000 EntireStructure::rnaStruct limitingSphereRadius : 6.000000 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-c6774990/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/5mpg_rna-c6774990/inputs/seq.fa: 1 curr_seq: _UCAGUU_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UCAGUU 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 6 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: 35 n_atoms_counter: 35 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 chain: 1: _xxxxxx_ 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 RNAStructure::tertiaryStrcWeight = 1.000000 EntireStructure::rnaStruct limitingSphereRadius : 6.000000 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-c6774990/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/5mpg_rna-c6774990/inputs/seq.fa: 1 curr_seq: _UCAGUU_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UCAGUU 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 6 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: 35 n_atoms_counter: 35 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 chain: 1: _xxxxxx_ 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 RNAStructure::tertiaryStrcWeight = 1.000000 EntireStructure::rnaStruct limitingSphereRadius : 6.000000 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-c6774990/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/5mpg_rna-c6774990/inputs/seq.fa: 1 curr_seq: _UCAGUU_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UCAGUU 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 6 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: 35 n_atoms_counter: 35 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 chain: 1: _xxxxxx_ 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 RNAStructure::tertiaryStrcWeight = 1.000000 EntireStructure::rnaStruct limitingSphereRadius : 6.000000 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: -19.261965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.261965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.261965 (E_RNA) where: Base-Base interactions energy: -0.785 where: short stacking energy: -0.785 Base-Backbone interact. energy: -0.001 local terms energy: -18.475964 where: bonds (distance) C4'-P energy: -5.829 bonds (distance) P-C4' energy: -6.263 flat angles C4'-P-C4' energy: -3.235 flat angles P-C4'-P energy: -4.816 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: 2, replica: 2 ===================================== Write number: 1 Temperature: 0.950000 Total energy: -19.261965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.261965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.261965 (E_RNA) where: Base-Base interactions energy: -0.785 where: short stacking energy: -0.785 Base-Backbone interact. energy: -0.001 local terms energy: -18.475964 where: bonds (distance) C4'-P energy: -5.829 bonds (distance) P-C4' energy: -6.263 flat angles C4'-P-C4' energy: -3.235 flat angles P-C4'-P energy: -4.816 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: 3, replica: 3 ===================================== Write number: 1 Temperature: 1.000000 Total energy: -19.261965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.261965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.261965 (E_RNA) where: Base-Base interactions energy: -0.785 where: short stacking energy: -0.785 Base-Backbone interact. energy: -0.001 local terms energy: -18.475964 where: bonds (distance) C4'-P energy: -5.829 bonds (distance) P-C4' energy: -6.263 flat angles C4'-P-C4' energy: -3.235 flat angles P-C4'-P energy: -4.816 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: 4, replica: 4 ===================================== Write number: 1 Temperature: 1.050000 Total energy: -19.261965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.261965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.261965 (E_RNA) where: Base-Base interactions energy: -0.785 where: short stacking energy: -0.785 Base-Backbone interact. energy: -0.001 local terms energy: -18.475964 where: bonds (distance) C4'-P energy: -5.829 bonds (distance) P-C4' energy: -6.263 flat angles C4'-P-C4' energy: -3.235 flat angles P-C4'-P energy: -4.816 tors. eta vs tors. theta energy: 1.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 1 Temperature: 1.100000 Total energy: -19.261965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.261965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.261965 (E_RNA) where: Base-Base interactions energy: -0.785 where: short stacking energy: -0.785 Base-Backbone interact. energy: -0.001 local terms energy: -18.475964 where: bonds (distance) C4'-P energy: -5.829 bonds (distance) P-C4' energy: -6.263 flat angles C4'-P-C4' energy: -3.235 flat angles P-C4'-P energy: -4.816 tors. eta vs tors. theta energy: 1.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 1 Temperature: 1.150000 Total energy: -19.261965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.261965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.261965 (E_RNA) where: Base-Base interactions energy: -0.785 where: short stacking energy: -0.785 Base-Backbone interact. energy: -0.001 local terms energy: -18.475964 where: bonds (distance) C4'-P energy: -5.829 bonds (distance) P-C4' energy: -6.263 flat angles C4'-P-C4' energy: -3.235 flat angles P-C4'-P energy: -4.816 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: 7, replica: 7 ===================================== Write number: 1 Temperature: 1.200000 Total energy: -19.261965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.261965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.261965 (E_RNA) where: Base-Base interactions energy: -0.785 where: short stacking energy: -0.785 Base-Backbone interact. energy: -0.001 local terms energy: -18.475964 where: bonds (distance) C4'-P energy: -5.829 bonds (distance) P-C4' energy: -6.263 flat angles C4'-P-C4' energy: -3.235 flat angles P-C4'-P energy: -4.816 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: 8 ===================================== Write number: 1 Temperature: 1.250000 Total energy: -19.261965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.261965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.261965 (E_RNA) where: Base-Base interactions energy: -0.785 where: short stacking energy: -0.785 Base-Backbone interact. energy: -0.001 local terms energy: -18.475964 where: bonds (distance) C4'-P energy: -5.829 bonds (distance) P-C4' energy: -6.263 flat angles C4'-P-C4' energy: -3.235 flat angles P-C4'-P energy: -4.816 tors. eta vs tors. theta energy: 1.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 1 Temperature: 1.300000 Total energy: -19.261965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.261965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.261965 (E_RNA) where: Base-Base interactions energy: -0.785 where: short stacking energy: -0.785 Base-Backbone interact. energy: -0.001 local terms energy: -18.475964 where: bonds (distance) C4'-P energy: -5.829 bonds (distance) P-C4' energy: -6.263 flat angles C4'-P-C4' energy: -3.235 flat angles P-C4'-P energy: -4.816 tors. eta vs tors. theta energy: 1.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 1 Temperature: 1.350000 Total energy: -19.261965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.261965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.261965 (E_RNA) where: Base-Base interactions energy: -0.785 where: short stacking energy: -0.785 Base-Backbone interact. energy: -0.001 local terms energy: -18.475964 where: bonds (distance) C4'-P energy: -5.829 bonds (distance) P-C4' energy: -6.263 flat angles C4'-P-C4' energy: -3.235 flat angles P-C4'-P energy: -4.816 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: 1, replica: 1 ===================================== Write number: 2 Temperature: 0.900000 Total energy: -37.352785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.352785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.352785 (E_RNA) where: Base-Base interactions energy: -15.812 where: short stacking energy: -15.812 Base-Backbone interact. energy: -0.000 local terms energy: -21.540342 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -2.933 flat angles C4'-P-C4' energy: -5.324 flat angles P-C4'-P energy: -3.286 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: 2, replica: 2 ===================================== Write number: 2 Temperature: 0.950000 Total energy: -31.198045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.198045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.198045 (E_RNA) where: Base-Base interactions energy: -14.592 where: short stacking energy: -14.592 Base-Backbone interact. energy: -0.000 local terms energy: -16.605469 where: bonds (distance) C4'-P energy: -2.521 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.108 flat angles P-C4'-P energy: 0.441 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: 3 ===================================== Write number: 2 Temperature: 1.000000 Total energy: -28.020135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.020135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.020135 (E_RNA) where: Base-Base interactions energy: -12.068 where: short stacking energy: -12.068 Base-Backbone interact. energy: -0.091 local terms energy: -15.861746 where: bonds (distance) C4'-P energy: -4.245 bonds (distance) P-C4' energy: -3.958 flat angles C4'-P-C4' energy: -3.420 flat angles P-C4'-P energy: -3.692 tors. eta vs tors. theta energy: -0.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 2 Temperature: 1.050000 Total energy: -29.853078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.853078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.853078 (E_RNA) where: Base-Base interactions energy: -10.723 where: short stacking energy: -10.723 Base-Backbone interact. energy: -0.003 local terms energy: -19.127255 where: bonds (distance) C4'-P energy: -2.783 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -5.122 flat angles P-C4'-P energy: -2.450 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: 5, replica: 5 ===================================== Write number: 2 Temperature: 1.100000 Total energy: -28.680367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.680367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.680367 (E_RNA) where: Base-Base interactions energy: -7.222 where: short stacking energy: -7.222 Base-Backbone interact. energy: -0.000 local terms energy: -21.458097 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -4.684 flat angles C4'-P-C4' energy: -4.939 flat angles P-C4'-P energy: -2.704 tors. eta vs tors. theta energy: -4.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 2 Temperature: 1.150000 Total energy: -29.994561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.994561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.994561 (E_RNA) where: Base-Base interactions energy: -11.260 where: short stacking energy: -11.260 Base-Backbone interact. energy: -0.000 local terms energy: -18.734206 where: bonds (distance) C4'-P energy: -4.628 bonds (distance) P-C4' energy: -2.730 flat angles C4'-P-C4' energy: -3.949 flat angles P-C4'-P energy: -4.056 tors. eta vs tors. theta energy: -3.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 2 Temperature: 1.200000 Total energy: -27.776488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.776488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.776488 (E_RNA) where: Base-Base interactions energy: -5.555 where: short stacking energy: -5.555 Base-Backbone interact. energy: -0.002 local terms energy: -22.219077 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -4.944 flat angles P-C4'-P energy: -4.276 tors. eta vs tors. theta energy: -1.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 2 Temperature: 1.250000 Total energy: -26.695488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.695488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.695488 (E_RNA) where: Base-Base interactions energy: -6.621 where: short stacking energy: -6.621 Base-Backbone interact. energy: -0.008 local terms energy: -20.065896 where: bonds (distance) C4'-P energy: -3.544 bonds (distance) P-C4' energy: -5.227 flat angles C4'-P-C4' energy: -5.323 flat angles P-C4'-P energy: -3.889 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: 9, replica: 9 ===================================== Write number: 2 Temperature: 1.300000 Total energy: -25.625743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.625743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.625743 (E_RNA) where: Base-Base interactions energy: -3.755 where: short stacking energy: -3.755 Base-Backbone interact. energy: -0.539 local terms energy: -21.331529 where: bonds (distance) C4'-P energy: -5.391 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -4.086 flat angles P-C4'-P energy: -3.627 tors. eta vs tors. theta energy: -2.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 2 Temperature: 1.350000 Total energy: -22.706847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.706847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.706847 (E_RNA) where: Base-Base interactions energy: -3.909 where: short stacking energy: -3.909 Base-Backbone interact. energy: -0.005 local terms energy: -18.792894 where: bonds (distance) C4'-P energy: -4.840 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.241 flat angles P-C4'-P energy: -3.705 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: 1 ===================================== Write number: 3 Temperature: 0.900000 Total energy: -34.531489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.531489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.531489 (E_RNA) where: Base-Base interactions energy: -11.416 where: short stacking energy: -11.416 Base-Backbone interact. energy: -0.090 local terms energy: -23.025448 where: bonds (distance) C4'-P energy: -4.911 bonds (distance) P-C4' energy: -5.237 flat angles C4'-P-C4' energy: -5.746 flat angles P-C4'-P energy: -4.477 tors. eta vs tors. theta energy: -2.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 3 Temperature: 0.950000 Total energy: -37.364036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.364036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.364036 (E_RNA) where: Base-Base interactions energy: -16.526 where: short stacking energy: -16.526 Base-Backbone interact. energy: -0.011 local terms energy: -20.827167 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -4.192 flat angles C4'-P-C4' energy: -5.155 flat angles P-C4'-P energy: -2.169 tors. eta vs tors. theta energy: -4.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 3 Temperature: 1.000000 Total energy: -27.689299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.689299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.689299 (E_RNA) where: Base-Base interactions energy: -9.631 where: short stacking energy: -9.631 Base-Backbone interact. energy: -0.012 local terms energy: -18.046346 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -2.727 flat angles P-C4'-P energy: -2.443 tors. eta vs tors. theta energy: -1.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 3 Temperature: 1.050000 Total energy: -32.353634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.353634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.353634 (E_RNA) where: Base-Base interactions energy: -11.726 where: short stacking energy: -11.726 Base-Backbone interact. energy: -0.080 local terms energy: -20.547074 where: bonds (distance) C4'-P energy: -4.240 bonds (distance) P-C4' energy: -4.222 flat angles C4'-P-C4' energy: -4.847 flat angles P-C4'-P energy: -4.281 tors. eta vs tors. theta energy: -2.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 3 Temperature: 1.100000 Total energy: -27.050230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.050230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.050230 (E_RNA) where: Base-Base interactions energy: -7.702 where: short stacking energy: -7.702 Base-Backbone interact. energy: -0.075 local terms energy: -19.273620 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -4.411 flat angles P-C4'-P energy: -3.871 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: 6, replica: 7 ===================================== Write number: 3 Temperature: 1.150000 Total energy: -31.534366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.534366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.534366 (E_RNA) where: Base-Base interactions energy: -11.379 where: short stacking energy: -11.379 Base-Backbone interact. energy: -0.000 local terms energy: -20.155508 where: bonds (distance) C4'-P energy: -5.010 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -3.562 flat angles P-C4'-P energy: -3.294 tors. eta vs tors. theta energy: -2.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 3 Temperature: 1.200000 Total energy: -23.531765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.531765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.531765 (E_RNA) where: Base-Base interactions energy: -7.767 where: short stacking energy: -7.767 Base-Backbone interact. energy: -0.090 local terms energy: -15.674213 where: bonds (distance) C4'-P energy: -4.008 bonds (distance) P-C4' energy: -4.949 flat angles C4'-P-C4' energy: -2.572 flat angles P-C4'-P energy: -4.353 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: 8, replica: 9 ===================================== Write number: 3 Temperature: 1.250000 Total energy: -24.674254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.674254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.674254 (E_RNA) where: Base-Base interactions energy: -3.947 where: short stacking energy: -3.947 Base-Backbone interact. energy: -0.150 local terms energy: -20.577524 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.620 flat angles P-C4'-P energy: -2.847 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: -30.428453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.428453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.428453 (E_RNA) where: Base-Base interactions energy: -7.450 where: short stacking energy: -7.450 Base-Backbone interact. energy: -0.000 local terms energy: -22.978096 where: bonds (distance) C4'-P energy: -3.747 bonds (distance) P-C4' energy: -5.491 flat angles C4'-P-C4' energy: -5.770 flat angles P-C4'-P energy: -3.774 tors. eta vs tors. theta energy: -4.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 3 Temperature: 1.350000 Total energy: -30.428213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.428213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.428213 (E_RNA) where: Base-Base interactions energy: -12.741 where: short stacking energy: -12.741 Base-Backbone interact. energy: -0.078 local terms energy: -17.608871 where: bonds (distance) C4'-P energy: -4.227 bonds (distance) P-C4' energy: -5.237 flat angles C4'-P-C4' energy: -4.218 flat angles P-C4'-P energy: -2.342 tors. eta vs tors. theta energy: -1.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 4 Temperature: 0.900000 Total energy: -35.690988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.690988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.690988 (E_RNA) where: Base-Base interactions energy: -12.460 where: short stacking energy: -12.460 Base-Backbone interact. energy: 0.189 local terms energy: -23.420020 where: bonds (distance) C4'-P energy: -4.538 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -5.381 flat angles P-C4'-P energy: -4.102 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: 2, replica: 1 ===================================== Write number: 4 Temperature: 0.950000 Total energy: -32.708994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.708994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.708994 (E_RNA) where: Base-Base interactions energy: -11.187 where: short stacking energy: -11.187 Base-Backbone interact. energy: -0.000 local terms energy: -21.522353 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -3.758 flat angles P-C4'-P energy: -3.400 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: 3, replica: 5 ===================================== Write number: 4 Temperature: 1.000000 Total energy: -31.402942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.402942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.402942 (E_RNA) where: Base-Base interactions energy: -10.613 where: short stacking energy: -10.613 Base-Backbone interact. energy: -0.002 local terms energy: -20.788193 where: bonds (distance) C4'-P energy: -5.188 bonds (distance) P-C4' energy: -4.473 flat angles C4'-P-C4' energy: -5.517 flat angles P-C4'-P energy: -4.548 tors. eta vs tors. theta energy: -1.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 4 Temperature: 1.050000 Total energy: -33.212948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.212948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.212948 (E_RNA) where: Base-Base interactions energy: -12.412 where: short stacking energy: -12.412 Base-Backbone interact. energy: -0.000 local terms energy: -20.801003 where: bonds (distance) C4'-P energy: -3.661 bonds (distance) P-C4' energy: -6.256 flat angles C4'-P-C4' energy: -4.568 flat angles P-C4'-P energy: -2.589 tors. eta vs tors. theta energy: -3.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 4 Temperature: 1.100000 Total energy: -29.745079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.745079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.745079 (E_RNA) where: Base-Base interactions energy: -12.446 where: short stacking energy: -12.446 Base-Backbone interact. energy: -0.003 local terms energy: -17.296114 where: bonds (distance) C4'-P energy: -2.956 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -3.903 flat angles P-C4'-P energy: -3.450 tors. eta vs tors. theta energy: -1.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 4 Temperature: 1.150000 Total energy: -25.416873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.416873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.416873 (E_RNA) where: Base-Base interactions energy: -5.212 where: short stacking energy: -5.212 Base-Backbone interact. energy: -0.000 local terms energy: -20.204189 where: bonds (distance) C4'-P energy: -4.832 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -4.359 flat angles P-C4'-P energy: -3.308 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: 7, replica: 9 ===================================== Write number: 4 Temperature: 1.200000 Total energy: -32.076982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.076982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.076982 (E_RNA) where: Base-Base interactions energy: -11.265 where: short stacking energy: -11.265 Base-Backbone interact. energy: -0.003 local terms energy: -20.809465 where: bonds (distance) C4'-P energy: -4.803 bonds (distance) P-C4' energy: -5.043 flat angles C4'-P-C4' energy: -4.450 flat angles P-C4'-P energy: -3.699 tors. eta vs tors. theta energy: -2.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 4 Temperature: 1.250000 Total energy: -29.711344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.711344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.711344 (E_RNA) where: Base-Base interactions energy: -10.786 where: short stacking energy: -10.786 Base-Backbone interact. energy: -0.001 local terms energy: -18.925154 where: bonds (distance) C4'-P energy: -2.464 bonds (distance) P-C4' energy: -4.215 flat angles C4'-P-C4' energy: -4.991 flat angles P-C4'-P energy: -3.537 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: 10 ===================================== Write number: 4 Temperature: 1.300000 Total energy: -28.202162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.202162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.202162 (E_RNA) where: Base-Base interactions energy: -10.802 where: short stacking energy: -10.802 Base-Backbone interact. energy: -0.004 local terms energy: -17.396428 where: bonds (distance) C4'-P energy: -2.683 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -4.105 flat angles P-C4'-P energy: -3.162 tors. eta vs tors. theta energy: -1.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 4 Temperature: 1.350000 Total energy: -25.716787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.716787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.716787 (E_RNA) where: Base-Base interactions energy: -7.770 where: short stacking energy: -7.770 Base-Backbone interact. energy: -0.088 local terms energy: -17.859037 where: bonds (distance) C4'-P energy: -3.652 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -3.187 flat angles P-C4'-P energy: -4.242 tors. eta vs tors. theta energy: -0.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 5 Temperature: 0.900000 Total energy: -32.382791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.382791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.382791 (E_RNA) where: Base-Base interactions energy: -11.773 where: short stacking energy: -11.773 Base-Backbone interact. energy: -0.000 local terms energy: -20.609318 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -3.263 flat angles P-C4'-P energy: -3.412 tors. eta vs tors. theta energy: -3.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 5 Temperature: 0.950000 Total energy: -37.818029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.818029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.818029 (E_RNA) where: Base-Base interactions energy: -15.414 where: short stacking energy: -15.414 Base-Backbone interact. energy: -0.000 local terms energy: -22.404319 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -4.706 flat angles C4'-P-C4' energy: -3.365 flat angles P-C4'-P energy: -3.788 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: 3, replica: 1 ===================================== Write number: 5 Temperature: 1.000000 Total energy: -29.281491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.281491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.281491 (E_RNA) where: Base-Base interactions energy: -11.505 where: short stacking energy: -11.505 Base-Backbone interact. energy: -0.026 local terms energy: -17.749603 where: bonds (distance) C4'-P energy: -0.766 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -5.490 flat angles P-C4'-P energy: -4.590 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: 7 ===================================== Write number: 5 Temperature: 1.050000 Total energy: -33.475860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.475860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.475860 (E_RNA) where: Base-Base interactions energy: -14.186 where: short stacking energy: -14.186 Base-Backbone interact. energy: -0.000 local terms energy: -19.289342 where: bonds (distance) C4'-P energy: -4.253 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -2.030 flat angles P-C4'-P energy: -4.485 tors. eta vs tors. theta energy: -3.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 5 Temperature: 1.100000 Total energy: -29.252484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.252484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.252484 (E_RNA) where: Base-Base interactions energy: -11.041 where: short stacking energy: -11.041 Base-Backbone interact. energy: -0.355 local terms energy: -17.856679 where: bonds (distance) C4'-P energy: -4.335 bonds (distance) P-C4' energy: -4.360 flat angles C4'-P-C4' energy: -3.534 flat angles P-C4'-P energy: -0.711 tors. eta vs tors. theta energy: -4.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 5 Temperature: 1.150000 Total energy: -35.058849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.058849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.058849 (E_RNA) where: Base-Base interactions energy: -14.646 where: short stacking energy: -14.646 Base-Backbone interact. energy: -0.000 local terms energy: -20.413145 where: bonds (distance) C4'-P energy: -4.555 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.048 flat angles P-C4'-P energy: -3.120 tors. eta vs tors. theta energy: -2.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 5 Temperature: 1.200000 Total energy: -26.029520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.029520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.029520 (E_RNA) where: Base-Base interactions energy: -11.307 where: short stacking energy: -11.307 Base-Backbone interact. energy: -0.014 local terms energy: -14.708222 where: bonds (distance) C4'-P energy: -4.111 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -3.402 flat angles P-C4'-P energy: -1.221 tors. eta vs tors. theta energy: 0.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 5 Temperature: 1.250000 Total energy: -26.546016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.546016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.546016 (E_RNA) where: Base-Base interactions energy: -8.239 where: short stacking energy: -8.239 Base-Backbone interact. energy: -0.002 local terms energy: -18.305827 where: bonds (distance) C4'-P energy: -3.668 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -5.323 flat angles P-C4'-P energy: -2.524 tors. eta vs tors. theta energy: -1.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 5 Temperature: 1.300000 Total energy: -30.013527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.013527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.013527 (E_RNA) where: Base-Base interactions energy: -12.231 where: short stacking energy: -12.231 Base-Backbone interact. energy: -0.000 local terms energy: -17.782911 where: bonds (distance) C4'-P energy: -3.615 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -2.877 flat angles P-C4'-P energy: -2.136 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: 10, replica: 8 ===================================== Write number: 5 Temperature: 1.350000 Total energy: -24.284762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.284762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.284762 (E_RNA) where: Base-Base interactions energy: -7.402 where: short stacking energy: -7.402 Base-Backbone interact. energy: -0.000 local terms energy: -16.882341 where: bonds (distance) C4'-P energy: -4.911 bonds (distance) P-C4' energy: -4.678 flat angles C4'-P-C4' energy: -1.412 flat angles P-C4'-P energy: -2.723 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: 1, replica: 5 ===================================== Write number: 6 Temperature: 0.900000 Total energy: -31.021005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.021005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.021005 (E_RNA) where: Base-Base interactions energy: -10.398 where: short stacking energy: -10.398 Base-Backbone interact. energy: -0.000 local terms energy: -20.622914 where: bonds (distance) C4'-P energy: -4.786 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -5.113 flat angles P-C4'-P energy: -2.755 tors. eta vs tors. theta energy: -2.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 6 Temperature: 0.950000 Total energy: -32.138292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.138292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.138292 (E_RNA) where: Base-Base interactions energy: -12.538 where: short stacking energy: -12.538 Base-Backbone interact. energy: -0.000 local terms energy: -19.600714 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -2.844 flat angles P-C4'-P energy: -3.498 tors. eta vs tors. theta energy: -1.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 6 Temperature: 1.000000 Total energy: -31.412414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.412414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.412414 (E_RNA) where: Base-Base interactions energy: -12.272 where: short stacking energy: -12.272 Base-Backbone interact. energy: -0.001 local terms energy: -19.139753 where: bonds (distance) C4'-P energy: -1.466 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.449 flat angles P-C4'-P energy: -3.689 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: 4, replica: 1 ===================================== Write number: 6 Temperature: 1.050000 Total energy: -32.393612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.393612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.393612 (E_RNA) where: Base-Base interactions energy: -11.304 where: short stacking energy: -11.304 Base-Backbone interact. energy: -0.000 local terms energy: -21.089074 where: bonds (distance) C4'-P energy: -4.103 bonds (distance) P-C4' energy: -5.759 flat angles C4'-P-C4' energy: -5.578 flat angles P-C4'-P energy: -3.019 tors. eta vs tors. theta energy: -2.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 6 Temperature: 1.100000 Total energy: -33.184423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.184423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.184423 (E_RNA) where: Base-Base interactions energy: -11.075 where: short stacking energy: -11.075 Base-Backbone interact. energy: -0.000 local terms energy: -22.109883 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -5.759 flat angles C4'-P-C4' energy: -5.820 flat angles P-C4'-P energy: -2.901 tors. eta vs tors. theta energy: -2.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 6 Temperature: 1.150000 Total energy: -33.493254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.493254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.493254 (E_RNA) where: Base-Base interactions energy: -12.742 where: short stacking energy: -12.742 Base-Backbone interact. energy: -0.000 local terms energy: -20.751549 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -3.507 flat angles C4'-P-C4' energy: -3.820 flat angles P-C4'-P energy: -4.239 tors. eta vs tors. theta energy: -3.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 6 Temperature: 1.200000 Total energy: -22.831915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.831915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.831915 (E_RNA) where: Base-Base interactions energy: -3.199 where: short stacking energy: -3.328 Base-Backbone interact. energy: -0.098 local terms energy: -19.535516 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -3.787 flat angles P-C4'-P energy: -4.431 tors. eta vs tors. theta energy: -0.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 6 Temperature: 1.250000 Total energy: -28.762706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.762706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.762706 (E_RNA) where: Base-Base interactions energy: -7.644 where: short stacking energy: -7.644 Base-Backbone interact. energy: -0.001 local terms energy: -21.117753 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.072 flat angles C4'-P-C4' energy: -4.889 flat angles P-C4'-P energy: -3.395 tors. eta vs tors. theta energy: -2.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 6 Temperature: 1.300000 Total energy: -30.289502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.289502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.289502 (E_RNA) where: Base-Base interactions energy: -10.845 where: short stacking energy: -10.845 Base-Backbone interact. energy: -0.000 local terms energy: -19.444381 where: bonds (distance) C4'-P energy: -3.772 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -3.353 flat angles P-C4'-P energy: -4.267 tors. eta vs tors. theta energy: -2.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 6 Temperature: 1.350000 Total energy: -26.786144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.786144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.786144 (E_RNA) where: Base-Base interactions energy: -8.333 where: short stacking energy: -8.333 Base-Backbone interact. energy: -0.000 local terms energy: -18.453053 where: bonds (distance) C4'-P energy: -4.190 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -3.222 flat angles P-C4'-P energy: -3.422 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: 1, replica: 5 ===================================== Write number: 7 Temperature: 0.900000 Total energy: -31.264785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.264785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.264785 (E_RNA) where: Base-Base interactions energy: -9.589 where: short stacking energy: -9.589 Base-Backbone interact. energy: -0.000 local terms energy: -21.675836 where: bonds (distance) C4'-P energy: -5.126 bonds (distance) P-C4' energy: -4.942 flat angles C4'-P-C4' energy: -5.368 flat angles P-C4'-P energy: -4.146 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: 2, replica: 2 ===================================== Write number: 7 Temperature: 0.950000 Total energy: -31.818133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.818133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.818133 (E_RNA) where: Base-Base interactions energy: -11.013 where: short stacking energy: -11.013 Base-Backbone interact. energy: -0.000 local terms energy: -20.805207 where: bonds (distance) C4'-P energy: -3.714 bonds (distance) P-C4' energy: -5.995 flat angles C4'-P-C4' energy: -4.977 flat angles P-C4'-P energy: -2.382 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: 3, replica: 7 ===================================== Write number: 7 Temperature: 1.000000 Total energy: -31.384377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.384377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.384377 (E_RNA) where: Base-Base interactions energy: -12.277 where: short stacking energy: -12.277 Base-Backbone interact. energy: -0.003 local terms energy: -19.104974 where: bonds (distance) C4'-P energy: -3.279 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -5.594 flat angles P-C4'-P energy: -4.158 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: 4, replica: 9 ===================================== Write number: 7 Temperature: 1.050000 Total energy: -27.113503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.113503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.113503 (E_RNA) where: Base-Base interactions energy: -8.544 where: short stacking energy: -8.544 Base-Backbone interact. energy: -0.097 local terms energy: -18.472948 where: bonds (distance) C4'-P energy: -3.607 bonds (distance) P-C4' energy: -5.522 flat angles C4'-P-C4' energy: -4.729 flat angles P-C4'-P energy: -4.124 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: 5, replica: 1 ===================================== Write number: 7 Temperature: 1.100000 Total energy: -31.448272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.448272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.448272 (E_RNA) where: Base-Base interactions energy: -11.427 where: short stacking energy: -11.427 Base-Backbone interact. energy: -0.005 local terms energy: -20.016223 where: bonds (distance) C4'-P energy: -4.227 bonds (distance) P-C4' energy: -4.255 flat angles C4'-P-C4' energy: -4.996 flat angles P-C4'-P energy: -3.321 tors. eta vs tors. theta energy: -3.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 7 Temperature: 1.150000 Total energy: -36.473944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.473944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.473944 (E_RNA) where: Base-Base interactions energy: -16.728 where: short stacking energy: -16.728 Base-Backbone interact. energy: -0.000 local terms energy: -19.745890 where: bonds (distance) C4'-P energy: -4.111 bonds (distance) P-C4' energy: -4.684 flat angles C4'-P-C4' energy: -5.620 flat angles P-C4'-P energy: -1.218 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: 7, replica: 3 ===================================== Write number: 7 Temperature: 1.200000 Total energy: -26.638911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.638911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.638911 (E_RNA) where: Base-Base interactions energy: -7.208 where: short stacking energy: -7.208 Base-Backbone interact. energy: -0.000 local terms energy: -19.430609 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -5.265 flat angles C4'-P-C4' energy: -3.827 flat angles P-C4'-P energy: -1.523 tors. eta vs tors. theta energy: -3.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 7 Temperature: 1.250000 Total energy: -25.871130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.871130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.871130 (E_RNA) where: Base-Base interactions energy: -7.564 where: short stacking energy: -7.564 Base-Backbone interact. energy: -0.036 local terms energy: -18.270996 where: bonds (distance) C4'-P energy: -4.637 bonds (distance) P-C4' energy: -4.646 flat angles C4'-P-C4' energy: -5.082 flat angles P-C4'-P energy: -2.749 tors. eta vs tors. theta energy: -1.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 7 Temperature: 1.300000 Total energy: -27.627099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.627099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.627099 (E_RNA) where: Base-Base interactions energy: -10.070 where: short stacking energy: -10.070 Base-Backbone interact. energy: -0.000 local terms energy: -17.557266 where: bonds (distance) C4'-P energy: -0.372 bonds (distance) P-C4' energy: -3.697 flat angles C4'-P-C4' energy: -5.467 flat angles P-C4'-P energy: -3.782 tors. eta vs tors. theta energy: -4.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 7 Temperature: 1.350000 Total energy: -28.701202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.701202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.701202 (E_RNA) where: Base-Base interactions energy: -8.535 where: short stacking energy: -8.535 Base-Backbone interact. energy: -0.000 local terms energy: -20.165494 where: bonds (distance) C4'-P energy: -3.955 bonds (distance) P-C4' energy: -4.973 flat angles C4'-P-C4' energy: -5.113 flat angles P-C4'-P energy: -2.016 tors. eta vs tors. theta energy: -4.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 8 Temperature: 0.900000 Total energy: -34.038942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.038942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.038942 (E_RNA) where: Base-Base interactions energy: -11.951 where: short stacking energy: -11.951 Base-Backbone interact. energy: -0.012 local terms energy: -22.076523 where: bonds (distance) C4'-P energy: -3.839 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -5.237 flat angles P-C4'-P energy: -4.518 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: 2, replica: 5 ===================================== Write number: 8 Temperature: 0.950000 Total energy: -32.930794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.930794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.930794 (E_RNA) where: Base-Base interactions energy: -11.852 where: short stacking energy: -11.852 Base-Backbone interact. energy: -0.064 local terms energy: -21.015249 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -4.517 flat angles P-C4'-P energy: -3.570 tors. eta vs tors. theta energy: -2.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 8 Temperature: 1.000000 Total energy: -32.287931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.287931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.287931 (E_RNA) where: Base-Base interactions energy: -12.518 where: short stacking energy: -12.518 Base-Backbone interact. energy: -0.000 local terms energy: -19.770194 where: bonds (distance) C4'-P energy: -4.840 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.089 flat angles P-C4'-P energy: -1.506 tors. eta vs tors. theta energy: -3.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 8 Temperature: 1.050000 Total energy: -28.024212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.024212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.024212 (E_RNA) where: Base-Base interactions energy: -8.183 where: short stacking energy: -8.183 Base-Backbone interact. energy: -0.052 local terms energy: -19.789471 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -4.093 flat angles C4'-P-C4' energy: -4.536 flat angles P-C4'-P energy: -3.420 tors. eta vs tors. theta energy: -2.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 8 Temperature: 1.100000 Total energy: -35.053314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.053314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.053314 (E_RNA) where: Base-Base interactions energy: -12.588 where: short stacking energy: -12.588 Base-Backbone interact. energy: -0.000 local terms energy: -22.465523 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -4.292 flat angles P-C4'-P energy: -3.908 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: 1 ===================================== Write number: 8 Temperature: 1.150000 Total energy: -26.801980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.801980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.801980 (E_RNA) where: Base-Base interactions energy: -8.382 where: short stacking energy: -8.382 Base-Backbone interact. energy: -0.000 local terms energy: -18.419874 where: bonds (distance) C4'-P energy: -4.405 bonds (distance) P-C4' energy: -4.574 flat angles C4'-P-C4' energy: -4.258 flat angles P-C4'-P energy: -3.522 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: 7, replica: 8 ===================================== Write number: 8 Temperature: 1.200000 Total energy: -31.573756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.573756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.573756 (E_RNA) where: Base-Base interactions energy: -10.204 where: short stacking energy: -10.204 Base-Backbone interact. energy: -0.000 local terms energy: -21.369995 where: bonds (distance) C4'-P energy: -4.609 bonds (distance) P-C4' energy: -4.712 flat angles C4'-P-C4' energy: -3.130 flat angles P-C4'-P energy: -4.177 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: 8, replica: 3 ===================================== Write number: 8 Temperature: 1.250000 Total energy: -25.867911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.867911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.867911 (E_RNA) where: Base-Base interactions energy: -3.551 where: short stacking energy: -3.551 Base-Backbone interact. energy: -0.460 local terms energy: -21.857226 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -4.235 flat angles P-C4'-P energy: -4.825 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: 9, replica: 4 ===================================== Write number: 8 Temperature: 1.300000 Total energy: -28.381443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.381443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.381443 (E_RNA) where: Base-Base interactions energy: -8.161 where: short stacking energy: -8.161 Base-Backbone interact. energy: -0.000 local terms energy: -20.220079 where: bonds (distance) C4'-P energy: -4.513 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.309 flat angles P-C4'-P energy: -3.554 tors. eta vs tors. theta energy: -1.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 8 Temperature: 1.350000 Total energy: -24.270053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.270053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.270053 (E_RNA) where: Base-Base interactions energy: -6.130 where: short stacking energy: -6.130 Base-Backbone interact. energy: -0.009 local terms energy: -18.130603 where: bonds (distance) C4'-P energy: -4.103 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.562 flat angles P-C4'-P energy: -1.279 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: 9 Temperature: 0.900000 Total energy: -31.418487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.418487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.418487 (E_RNA) where: Base-Base interactions energy: -10.622 where: short stacking energy: -10.622 Base-Backbone interact. energy: -0.032 local terms energy: -20.764874 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -5.522 flat angles C4'-P-C4' energy: -5.135 flat angles P-C4'-P energy: -1.981 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: 2, replica: 7 ===================================== Write number: 9 Temperature: 0.950000 Total energy: -35.875172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.875172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.875172 (E_RNA) where: Base-Base interactions energy: -10.941 where: short stacking energy: -10.941 Base-Backbone interact. energy: -0.000 local terms energy: -24.934392 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.407 flat angles P-C4'-P energy: -3.646 tors. eta vs tors. theta energy: -6.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 9 Temperature: 1.000000 Total energy: -35.788002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.788002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.788002 (E_RNA) where: Base-Base interactions energy: -12.404 where: short stacking energy: -12.404 Base-Backbone interact. energy: -0.000 local terms energy: -23.384293 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.397 flat angles P-C4'-P energy: -3.890 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: 10 ===================================== Write number: 9 Temperature: 1.050000 Total energy: -32.797683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.797683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.797683 (E_RNA) where: Base-Base interactions energy: -14.966 where: short stacking energy: -14.966 Base-Backbone interact. energy: -0.000 local terms energy: -17.831452 where: bonds (distance) C4'-P energy: -4.120 bonds (distance) P-C4' energy: -3.733 flat angles C4'-P-C4' energy: -4.030 flat angles P-C4'-P energy: -2.805 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: 9 ===================================== Write number: 9 Temperature: 1.100000 Total energy: -28.890459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.890459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.890459 (E_RNA) where: Base-Base interactions energy: -9.073 where: short stacking energy: -9.073 Base-Backbone interact. energy: -0.001 local terms energy: -19.816097 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -3.799 flat angles P-C4'-P energy: -2.829 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: 6, replica: 8 ===================================== Write number: 9 Temperature: 1.150000 Total energy: -27.033629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.033629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.033629 (E_RNA) where: Base-Base interactions energy: -10.097 where: short stacking energy: -10.097 Base-Backbone interact. energy: -0.093 local terms energy: -16.842700 where: bonds (distance) C4'-P energy: -4.049 bonds (distance) P-C4' energy: -4.945 flat angles C4'-P-C4' energy: -4.149 flat angles P-C4'-P energy: -2.083 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: 1 ===================================== Write number: 9 Temperature: 1.200000 Total energy: -25.924805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.924805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.924805 (E_RNA) where: Base-Base interactions energy: -6.809 where: short stacking energy: -6.809 Base-Backbone interact. energy: -0.173 local terms energy: -18.943266 where: bonds (distance) C4'-P energy: -4.369 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -3.712 flat angles P-C4'-P energy: -4.206 tors. eta vs tors. theta energy: -0.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 9 Temperature: 1.250000 Total energy: -28.618716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.618716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.618716 (E_RNA) where: Base-Base interactions energy: -10.390 where: short stacking energy: -10.390 Base-Backbone interact. energy: -0.000 local terms energy: -18.228983 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -4.642 flat angles C4'-P-C4' energy: -3.813 flat angles P-C4'-P energy: -1.755 tors. eta vs tors. theta energy: -3.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 9 Temperature: 1.300000 Total energy: -23.895991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.895991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.895991 (E_RNA) where: Base-Base interactions energy: -4.754 where: short stacking energy: -4.754 Base-Backbone interact. energy: -0.000 local terms energy: -19.141926 where: bonds (distance) C4'-P energy: -4.981 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.099 flat angles P-C4'-P energy: -3.039 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: 10, replica: 6 ===================================== Write number: 9 Temperature: 1.350000 Total energy: -22.813931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.813931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.813931 (E_RNA) where: Base-Base interactions energy: -6.021 where: short stacking energy: -6.021 Base-Backbone interact. energy: 0.248 local terms energy: -17.040918 where: bonds (distance) C4'-P energy: -2.849 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -5.007 flat angles P-C4'-P energy: -2.827 tors. eta vs tors. theta energy: -0.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 10 Temperature: 0.900000 Total energy: -33.387874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.387874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.387874 (E_RNA) where: Base-Base interactions energy: -11.719 where: short stacking energy: -11.719 Base-Backbone interact. energy: -0.000 local terms energy: -21.669293 where: bonds (distance) C4'-P energy: -5.097 bonds (distance) P-C4' energy: -5.231 flat angles C4'-P-C4' energy: -5.007 flat angles P-C4'-P energy: -1.673 tors. eta vs tors. theta energy: -4.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 10 Temperature: 0.950000 Total energy: -33.287732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.287732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.287732 (E_RNA) where: Base-Base interactions energy: -14.482 where: short stacking energy: -14.482 Base-Backbone interact. energy: -0.001 local terms energy: -18.804913 where: bonds (distance) C4'-P energy: -3.925 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -5.098 flat angles P-C4'-P energy: -0.114 tors. eta vs tors. theta energy: -3.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 10 Temperature: 1.000000 Total energy: -31.498292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.498292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.498292 (E_RNA) where: Base-Base interactions energy: -10.850 where: short stacking energy: -10.850 Base-Backbone interact. energy: -0.000 local terms energy: -20.648602 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.724 flat angles P-C4'-P energy: -3.552 tors. eta vs tors. theta energy: -1.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 10 Temperature: 1.050000 Total energy: -29.704558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.704558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.704558 (E_RNA) where: Base-Base interactions energy: -10.066 where: short stacking energy: -10.066 Base-Backbone interact. energy: -0.058 local terms energy: -19.581093 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.744 flat angles P-C4'-P energy: -2.927 tors. eta vs tors. theta energy: -0.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 10 Temperature: 1.100000 Total energy: -27.234273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.234273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.234273 (E_RNA) where: Base-Base interactions energy: -7.904 where: short stacking energy: -7.904 Base-Backbone interact. energy: -0.004 local terms energy: -19.326887 where: bonds (distance) C4'-P energy: -4.423 bonds (distance) P-C4' energy: -5.298 flat angles C4'-P-C4' energy: -4.183 flat angles P-C4'-P energy: -2.685 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: 6, replica: 9 ===================================== Write number: 10 Temperature: 1.150000 Total energy: -27.555147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.555147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.555147 (E_RNA) where: Base-Base interactions energy: -8.219 where: short stacking energy: -8.219 Base-Backbone interact. energy: -0.000 local terms energy: -19.336050 where: bonds (distance) C4'-P energy: -4.413 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.203 flat angles P-C4'-P energy: -2.489 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: 7, replica: 4 ===================================== Write number: 10 Temperature: 1.200000 Total energy: -24.188058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.188058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.188058 (E_RNA) where: Base-Base interactions energy: -4.038 where: short stacking energy: -4.038 Base-Backbone interact. energy: -0.000 local terms energy: -20.150403 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.501 flat angles C4'-P-C4' energy: -5.292 flat angles P-C4'-P energy: -4.175 tors. eta vs tors. theta energy: -0.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 10 Temperature: 1.250000 Total energy: -30.122349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.122349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.122349 (E_RNA) where: Base-Base interactions energy: -10.667 where: short stacking energy: -10.667 Base-Backbone interact. energy: -0.000 local terms energy: -19.455129 where: bonds (distance) C4'-P energy: -1.715 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -3.831 flat angles P-C4'-P energy: -2.453 tors. eta vs tors. theta energy: -6.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 10 Temperature: 1.300000 Total energy: -26.555349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.555349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.555349 (E_RNA) where: Base-Base interactions energy: -8.227 where: short stacking energy: -8.227 Base-Backbone interact. energy: -0.000 local terms energy: -18.328647 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -3.540 flat angles C4'-P-C4' energy: -2.727 flat angles P-C4'-P energy: -3.544 tors. eta vs tors. theta energy: -3.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 10 Temperature: 1.350000 Total energy: -22.864734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.864734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.864734 (E_RNA) where: Base-Base interactions energy: -4.587 where: short stacking energy: -4.587 Base-Backbone interact. energy: -0.001 local terms energy: -18.277350 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -4.716 flat angles C4'-P-C4' energy: -5.593 flat angles P-C4'-P energy: -3.726 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: 1, replica: 7 ===================================== Write number: 11 Temperature: 0.900000 Total energy: -31.614377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.614377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.614377 (E_RNA) where: Base-Base interactions energy: -10.058 where: short stacking energy: -10.058 Base-Backbone interact. energy: -0.004 local terms energy: -21.552448 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.519 flat angles P-C4'-P energy: -4.797 tors. eta vs tors. theta energy: -0.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 11 Temperature: 0.950000 Total energy: -34.555715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.555715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.555715 (E_RNA) where: Base-Base interactions energy: -15.700 where: short stacking energy: -15.700 Base-Backbone interact. energy: -0.001 local terms energy: -18.854541 where: bonds (distance) C4'-P energy: -5.196 bonds (distance) P-C4' energy: -1.381 flat angles C4'-P-C4' energy: -4.882 flat angles P-C4'-P energy: -2.291 tors. eta vs tors. theta energy: -5.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 11 Temperature: 1.000000 Total energy: -35.838415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.838415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.838415 (E_RNA) where: Base-Base interactions energy: -12.902 where: short stacking energy: -12.902 Base-Backbone interact. energy: -0.000 local terms energy: -22.936393 where: bonds (distance) C4'-P energy: -4.008 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -4.537 flat angles P-C4'-P energy: -3.402 tors. eta vs tors. theta energy: -5.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 11 Temperature: 1.050000 Total energy: -37.326332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.326332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.326332 (E_RNA) where: Base-Base interactions energy: -15.704 where: short stacking energy: -15.704 Base-Backbone interact. energy: -0.000 local terms energy: -21.622079 where: bonds (distance) C4'-P energy: -3.490 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -3.650 flat angles P-C4'-P energy: -3.745 tors. eta vs tors. theta energy: -5.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 11 Temperature: 1.100000 Total energy: -29.619648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.619648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.619648 (E_RNA) where: Base-Base interactions energy: -10.655 where: short stacking energy: -10.655 Base-Backbone interact. energy: -0.000 local terms energy: -18.965089 where: bonds (distance) C4'-P energy: -3.826 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.360 flat angles P-C4'-P energy: -2.946 tors. eta vs tors. theta energy: -1.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 11 Temperature: 1.150000 Total energy: -33.080209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.080209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.080209 (E_RNA) where: Base-Base interactions energy: -10.743 where: short stacking energy: -10.743 Base-Backbone interact. energy: -0.000 local terms energy: -22.337427 where: bonds (distance) C4'-P energy: -3.251 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -5.377 flat angles P-C4'-P energy: -3.597 tors. eta vs tors. theta energy: -4.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 11 Temperature: 1.200000 Total energy: -29.467253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.467253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.467253 (E_RNA) where: Base-Base interactions energy: -9.234 where: short stacking energy: -9.234 Base-Backbone interact. energy: -0.028 local terms energy: -20.204851 where: bonds (distance) C4'-P energy: -4.725 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -3.933 flat angles P-C4'-P energy: -3.359 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: 6 ===================================== Write number: 11 Temperature: 1.250000 Total energy: -26.217107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.217107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.217107 (E_RNA) where: Base-Base interactions energy: -8.531 where: short stacking energy: -8.531 Base-Backbone interact. energy: -0.000 local terms energy: -17.685937 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -4.074 flat angles P-C4'-P energy: -1.451 tors. eta vs tors. theta energy: -1.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 11 Temperature: 1.300000 Total energy: -25.329428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.329428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.329428 (E_RNA) where: Base-Base interactions energy: -7.288 where: short stacking energy: -7.288 Base-Backbone interact. energy: -0.015 local terms energy: -18.025768 where: bonds (distance) C4'-P energy: -4.778 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.117 flat angles P-C4'-P energy: -3.702 tors. eta vs tors. theta energy: 0.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 11 Temperature: 1.350000 Total energy: -29.120742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.120742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.120742 (E_RNA) where: Base-Base interactions energy: -9.851 where: short stacking energy: -9.851 Base-Backbone interact. energy: -0.098 local terms energy: -19.171286 where: bonds (distance) C4'-P energy: -3.019 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -3.573 flat angles P-C4'-P energy: -2.748 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: 1, replica: 7 ===================================== Write number: 12 Temperature: 0.900000 Total energy: -32.748966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.748966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.748966 (E_RNA) where: Base-Base interactions energy: -12.558 where: short stacking energy: -12.558 Base-Backbone interact. energy: -0.000 local terms energy: -20.190295 where: bonds (distance) C4'-P energy: -4.744 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -4.566 flat angles P-C4'-P energy: -3.238 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: 2, replica: 10 ===================================== Write number: 12 Temperature: 0.950000 Total energy: -36.320590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.320590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.320590 (E_RNA) where: Base-Base interactions energy: -12.388 where: short stacking energy: -12.388 Base-Backbone interact. energy: -0.000 local terms energy: -23.932698 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -4.448 flat angles C4'-P-C4' energy: -4.385 flat angles P-C4'-P energy: -3.918 tors. eta vs tors. theta energy: -5.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 12 Temperature: 1.000000 Total energy: -36.853847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.853847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.853847 (E_RNA) where: Base-Base interactions energy: -12.095 where: short stacking energy: -12.095 Base-Backbone interact. energy: -0.000 local terms energy: -24.759168 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -5.494 flat angles C4'-P-C4' energy: -5.079 flat angles P-C4'-P energy: -2.914 tors. eta vs tors. theta energy: -6.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 12 Temperature: 1.050000 Total energy: -30.994764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.994764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.994764 (E_RNA) where: Base-Base interactions energy: -12.497 where: short stacking energy: -12.497 Base-Backbone interact. energy: 0.082 local terms energy: -18.580399 where: bonds (distance) C4'-P energy: -3.536 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.822 flat angles P-C4'-P energy: -4.228 tors. eta vs tors. theta energy: -0.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 12 Temperature: 1.100000 Total energy: -29.677850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.677850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.677850 (E_RNA) where: Base-Base interactions energy: -9.553 where: short stacking energy: -9.553 Base-Backbone interact. energy: -0.000 local terms energy: -20.124095 where: bonds (distance) C4'-P energy: -4.744 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -4.247 flat angles P-C4'-P energy: -3.005 tors. eta vs tors. theta energy: -3.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 12 Temperature: 1.150000 Total energy: -34.174678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.174678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.174678 (E_RNA) where: Base-Base interactions energy: -9.953 where: short stacking energy: -9.953 Base-Backbone interact. energy: -0.003 local terms energy: -24.219404 where: bonds (distance) C4'-P energy: -5.598 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.189 flat angles P-C4'-P energy: -3.855 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: 7, replica: 6 ===================================== Write number: 12 Temperature: 1.200000 Total energy: -32.000957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.000957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.000957 (E_RNA) where: Base-Base interactions energy: -9.296 where: short stacking energy: -9.296 Base-Backbone interact. energy: -0.000 local terms energy: -22.704543 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -2.798 flat angles P-C4'-P energy: -2.878 tors. eta vs tors. theta energy: -5.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 12 Temperature: 1.250000 Total energy: -29.274111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.274111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.274111 (E_RNA) where: Base-Base interactions energy: -9.587 where: short stacking energy: -9.587 Base-Backbone interact. energy: 0.013 local terms energy: -19.700213 where: bonds (distance) C4'-P energy: -3.784 bonds (distance) P-C4' energy: -4.614 flat angles C4'-P-C4' energy: -3.599 flat angles P-C4'-P energy: -4.751 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: 9, replica: 3 ===================================== Write number: 12 Temperature: 1.300000 Total energy: -25.872073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.872073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.872073 (E_RNA) where: Base-Base interactions energy: -7.474 where: short stacking energy: -7.474 Base-Backbone interact. energy: 0.047 local terms energy: -18.444625 where: bonds (distance) C4'-P energy: -3.934 bonds (distance) P-C4' energy: -4.942 flat angles C4'-P-C4' energy: -3.399 flat angles P-C4'-P energy: -3.758 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: 1 ===================================== Write number: 12 Temperature: 1.350000 Total energy: -27.755408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.755408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.755408 (E_RNA) where: Base-Base interactions energy: -9.305 where: short stacking energy: -9.305 Base-Backbone interact. energy: -0.000 local terms energy: -18.449916 where: bonds (distance) C4'-P energy: -4.529 bonds (distance) P-C4' energy: -4.190 flat angles C4'-P-C4' energy: -3.761 flat angles P-C4'-P energy: -3.762 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: 7 ===================================== Write number: 13 Temperature: 0.900000 Total energy: -35.239801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.239801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.239801 (E_RNA) where: Base-Base interactions energy: -12.722 where: short stacking energy: -12.722 Base-Backbone interact. energy: -0.003 local terms energy: -22.514366 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -5.430 flat angles P-C4'-P energy: -3.720 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: 2, replica: 10 ===================================== Write number: 13 Temperature: 0.950000 Total energy: -34.890773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.890773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.890773 (E_RNA) where: Base-Base interactions energy: -13.214 where: short stacking energy: -13.214 Base-Backbone interact. energy: -0.000 local terms energy: -21.676562 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -5.834 flat angles P-C4'-P energy: -2.791 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: 8 ===================================== Write number: 13 Temperature: 1.000000 Total energy: -30.318661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.318661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.318661 (E_RNA) where: Base-Base interactions energy: -8.140 where: short stacking energy: -8.140 Base-Backbone interact. energy: -0.065 local terms energy: -22.113201 where: bonds (distance) C4'-P energy: -4.335 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -4.977 flat angles P-C4'-P energy: -4.388 tors. eta vs tors. theta energy: -2.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 13 Temperature: 1.050000 Total energy: -31.412016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.412016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.412016 (E_RNA) where: Base-Base interactions energy: -10.150 where: short stacking energy: -10.150 Base-Backbone interact. energy: 0.234 local terms energy: -21.495787 where: bonds (distance) C4'-P energy: -2.807 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.636 flat angles P-C4'-P energy: -3.807 tors. eta vs tors. theta energy: -4.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 13 Temperature: 1.100000 Total energy: -34.873167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.873167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.873167 (E_RNA) where: Base-Base interactions energy: -12.430 where: short stacking energy: -12.430 Base-Backbone interact. energy: -0.001 local terms energy: -22.442858 where: bonds (distance) C4'-P energy: -4.911 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -4.954 flat angles P-C4'-P energy: -2.871 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: 6, replica: 4 ===================================== Write number: 13 Temperature: 1.150000 Total energy: -28.999487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.999487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.999487 (E_RNA) where: Base-Base interactions energy: -7.295 where: short stacking energy: -7.295 Base-Backbone interact. energy: -0.008 local terms energy: -21.695657 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -5.440 flat angles P-C4'-P energy: -4.425 tors. eta vs tors. theta energy: -1.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 13 Temperature: 1.200000 Total energy: -23.983619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.983619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.983619 (E_RNA) where: Base-Base interactions energy: -7.210 where: short stacking energy: -7.210 Base-Backbone interact. energy: -0.091 local terms energy: -16.682588 where: bonds (distance) C4'-P energy: -5.196 bonds (distance) P-C4' energy: -5.298 flat angles C4'-P-C4' energy: -2.583 flat angles P-C4'-P energy: -3.220 tors. eta vs tors. theta energy: -0.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 13 Temperature: 1.250000 Total energy: -27.912943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.912943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.912943 (E_RNA) where: Base-Base interactions energy: -8.407 where: short stacking energy: -8.407 Base-Backbone interact. energy: -0.071 local terms energy: -19.435289 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -4.313 flat angles P-C4'-P energy: -2.585 tors. eta vs tors. theta energy: -2.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 13 Temperature: 1.300000 Total energy: -25.812457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.812457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.812457 (E_RNA) where: Base-Base interactions energy: -7.425 where: short stacking energy: -7.425 Base-Backbone interact. energy: -0.045 local terms energy: -18.342450 where: bonds (distance) C4'-P energy: -4.421 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -2.835 flat angles P-C4'-P energy: -3.979 tors. eta vs tors. theta energy: -0.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 13 Temperature: 1.350000 Total energy: -25.863345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.863345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.863345 (E_RNA) where: Base-Base interactions energy: -8.221 where: short stacking energy: -8.221 Base-Backbone interact. energy: -0.000 local terms energy: -17.642538 where: bonds (distance) C4'-P energy: -4.832 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -2.929 flat angles P-C4'-P energy: -1.537 tors. eta vs tors. theta energy: -3.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 14 Temperature: 0.900000 Total energy: -31.711140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.711140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.711140 (E_RNA) where: Base-Base interactions energy: -9.439 where: short stacking energy: -9.439 Base-Backbone interact. energy: -0.000 local terms energy: -22.271707 where: bonds (distance) C4'-P energy: -4.219 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.083 flat angles P-C4'-P energy: -4.141 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: 2, replica: 7 ===================================== Write number: 14 Temperature: 0.950000 Total energy: -36.255299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.255299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.255299 (E_RNA) where: Base-Base interactions energy: -13.094 where: short stacking energy: -13.094 Base-Backbone interact. energy: -0.000 local terms energy: -23.161223 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -5.412 flat angles P-C4'-P energy: -1.881 tors. eta vs tors. theta energy: -5.785 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: 3, replica: 5 ===================================== Write number: 14 Temperature: 1.000000 Total energy: -32.407452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.407452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.407452 (E_RNA) where: Base-Base interactions energy: -10.753 where: short stacking energy: -10.794 Base-Backbone interact. energy: -0.000 local terms energy: -21.654444 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.566 flat angles C4'-P-C4' energy: -5.355 flat angles P-C4'-P energy: -3.515 tors. eta vs tors. theta energy: -2.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 14 Temperature: 1.050000 Total energy: -31.208191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.208191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.208191 (E_RNA) where: Base-Base interactions energy: -12.805 where: short stacking energy: -12.805 Base-Backbone interact. energy: -0.000 local terms energy: -18.403110 where: bonds (distance) C4'-P energy: -3.843 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -4.588 flat angles P-C4'-P energy: -3.176 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: 5, replica: 4 ===================================== Write number: 14 Temperature: 1.100000 Total energy: -30.719309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.719309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.719309 (E_RNA) where: Base-Base interactions energy: -11.050 where: short stacking energy: -11.050 Base-Backbone interact. energy: -0.006 local terms energy: -19.663249 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -4.994 flat angles C4'-P-C4' energy: -4.911 flat angles P-C4'-P energy: -3.776 tors. eta vs tors. theta energy: -1.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 14 Temperature: 1.150000 Total energy: -31.360129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.360129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.360129 (E_RNA) where: Base-Base interactions energy: -11.478 where: short stacking energy: -11.478 Base-Backbone interact. energy: -0.000 local terms energy: -19.881706 where: bonds (distance) C4'-P energy: -3.482 bonds (distance) P-C4' energy: -4.706 flat angles C4'-P-C4' energy: -2.959 flat angles P-C4'-P energy: -3.670 tors. eta vs tors. theta energy: -5.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 14 Temperature: 1.200000 Total energy: -26.861926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.861926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.861926 (E_RNA) where: Base-Base interactions energy: -8.955 where: short stacking energy: -8.955 Base-Backbone interact. energy: -0.007 local terms energy: -17.900312 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -4.639 flat angles C4'-P-C4' energy: -3.681 flat angles P-C4'-P energy: -3.720 tors. eta vs tors. theta energy: -1.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 14 Temperature: 1.250000 Total energy: -26.282312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.282312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.282312 (E_RNA) where: Base-Base interactions energy: -10.664 where: short stacking energy: -10.664 Base-Backbone interact. energy: -0.000 local terms energy: -15.617765 where: bonds (distance) C4'-P energy: -2.469 bonds (distance) P-C4' energy: -4.814 flat angles C4'-P-C4' energy: -3.181 flat angles P-C4'-P energy: -1.954 tors. eta vs tors. theta energy: -3.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 14 Temperature: 1.300000 Total energy: -27.619282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.619282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.619282 (E_RNA) where: Base-Base interactions energy: -7.272 where: short stacking energy: -7.272 Base-Backbone interact. energy: -0.000 local terms energy: -20.347064 where: bonds (distance) C4'-P energy: -3.756 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.466 flat angles P-C4'-P energy: -2.741 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: 9 ===================================== Write number: 14 Temperature: 1.350000 Total energy: -24.218902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.218902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.218902 (E_RNA) where: Base-Base interactions energy: -7.492 where: short stacking energy: -7.492 Base-Backbone interact. energy: -0.002 local terms energy: -16.724202 where: bonds (distance) C4'-P energy: -4.840 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -4.331 flat angles P-C4'-P energy: -1.926 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: 1, replica: 10 ===================================== Write number: 15 Temperature: 0.900000 Total energy: -37.863494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.863494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.863494 (E_RNA) where: Base-Base interactions energy: -15.543 where: short stacking energy: -15.543 Base-Backbone interact. energy: -0.000 local terms energy: -22.320948 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -3.730 flat angles C4'-P-C4' energy: -4.146 flat angles P-C4'-P energy: -4.320 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: 5 ===================================== Write number: 15 Temperature: 0.950000 Total energy: -34.429763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.429763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.429763 (E_RNA) where: Base-Base interactions energy: -13.241 where: short stacking energy: -13.241 Base-Backbone interact. energy: -0.000 local terms energy: -21.188018 where: bonds (distance) C4'-P energy: -3.768 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.623 flat angles P-C4'-P energy: -4.438 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: 3, replica: 7 ===================================== Write number: 15 Temperature: 1.000000 Total energy: -31.183837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.183837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.183837 (E_RNA) where: Base-Base interactions energy: -8.794 where: short stacking energy: -8.794 Base-Backbone interact. energy: -0.017 local terms energy: -22.372339 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.465 flat angles P-C4'-P energy: -3.504 tors. eta vs tors. theta energy: -3.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 15 Temperature: 1.050000 Total energy: -30.811167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.811167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.811167 (E_RNA) where: Base-Base interactions energy: -12.823 where: short stacking energy: -12.823 Base-Backbone interact. energy: -0.000 local terms energy: -17.988037 where: bonds (distance) C4'-P energy: -2.336 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -3.816 flat angles P-C4'-P energy: -3.776 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: 5, replica: 8 ===================================== Write number: 15 Temperature: 1.100000 Total energy: -33.233006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.233006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.233006 (E_RNA) where: Base-Base interactions energy: -14.313 where: short stacking energy: -14.313 Base-Backbone interact. energy: -0.002 local terms energy: -18.917797 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.100 flat angles C4'-P-C4' energy: -5.336 flat angles P-C4'-P energy: -2.384 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: 6, replica: 2 ===================================== Write number: 15 Temperature: 1.150000 Total energy: -32.761102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.761102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.761102 (E_RNA) where: Base-Base interactions energy: -11.356 where: short stacking energy: -11.356 Base-Backbone interact. energy: -0.000 local terms energy: -21.404902 where: bonds (distance) C4'-P energy: -5.159 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -5.162 flat angles P-C4'-P energy: -3.163 tors. eta vs tors. theta energy: -1.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 15 Temperature: 1.200000 Total energy: -28.555688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.555688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.555688 (E_RNA) where: Base-Base interactions energy: -8.715 where: short stacking energy: -8.715 Base-Backbone interact. energy: -0.013 local terms energy: -19.827731 where: bonds (distance) C4'-P energy: -3.524 bonds (distance) P-C4' energy: -4.162 flat angles C4'-P-C4' energy: -5.641 flat angles P-C4'-P energy: -3.909 tors. eta vs tors. theta energy: -2.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 15 Temperature: 1.250000 Total energy: -31.996778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.996778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.996778 (E_RNA) where: Base-Base interactions energy: -11.045 where: short stacking energy: -11.045 Base-Backbone interact. energy: -0.000 local terms energy: -20.952255 where: bonds (distance) C4'-P energy: -3.374 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -3.707 flat angles P-C4'-P energy: -1.458 tors. eta vs tors. theta energy: -6.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 15 Temperature: 1.300000 Total energy: -26.660822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.660822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.660822 (E_RNA) where: Base-Base interactions energy: -5.958 where: short stacking energy: -5.958 Base-Backbone interact. energy: -0.001 local terms energy: -20.702307 where: bonds (distance) C4'-P energy: -4.555 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -4.992 flat angles P-C4'-P energy: -4.058 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: 10, replica: 9 ===================================== Write number: 15 Temperature: 1.350000 Total energy: -25.112064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.112064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.112064 (E_RNA) where: Base-Base interactions energy: -8.179 where: short stacking energy: -8.179 Base-Backbone interact. energy: -0.000 local terms energy: -16.933097 where: bonds (distance) C4'-P energy: -4.008 bonds (distance) P-C4' energy: -5.522 flat angles C4'-P-C4' energy: -4.346 flat angles P-C4'-P energy: -4.083 tors. eta vs tors. theta energy: 1.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 16 Temperature: 0.900000 Total energy: -34.436900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.436900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.436900 (E_RNA) where: Base-Base interactions energy: -10.451 where: short stacking energy: -10.451 Base-Backbone interact. energy: -0.000 local terms energy: -23.985907 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -5.099 flat angles P-C4'-P energy: -3.310 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: 2, replica: 10 ===================================== Write number: 16 Temperature: 0.950000 Total energy: -37.416741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.416741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.416741 (E_RNA) where: Base-Base interactions energy: -11.813 where: short stacking energy: -11.813 Base-Backbone interact. energy: -0.005 local terms energy: -25.598738 where: bonds (distance) C4'-P energy: -4.716 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.219 flat angles P-C4'-P energy: -4.203 tors. eta vs tors. theta energy: -5.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 16 Temperature: 1.000000 Total energy: -32.894235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.894235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.894235 (E_RNA) where: Base-Base interactions energy: -12.872 where: short stacking energy: -12.872 Base-Backbone interact. energy: -0.015 local terms energy: -20.007827 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -3.889 flat angles P-C4'-P energy: -2.961 tors. eta vs tors. theta energy: -2.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 16 Temperature: 1.050000 Total energy: -34.102490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.102490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.102490 (E_RNA) where: Base-Base interactions energy: -14.955 where: short stacking energy: -14.955 Base-Backbone interact. energy: -0.001 local terms energy: -19.146755 where: bonds (distance) C4'-P energy: -1.979 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -5.158 flat angles P-C4'-P energy: -3.894 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: 5, replica: 2 ===================================== Write number: 16 Temperature: 1.100000 Total energy: -32.605278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.605278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.605278 (E_RNA) where: Base-Base interactions energy: -13.379 where: short stacking energy: -13.379 Base-Backbone interact. energy: -0.001 local terms energy: -19.225580 where: bonds (distance) C4'-P energy: -4.244 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -2.321 flat angles P-C4'-P energy: -2.676 tors. eta vs tors. theta energy: -4.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 16 Temperature: 1.150000 Total energy: -25.639677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.639677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.639677 (E_RNA) where: Base-Base interactions energy: -6.273 where: short stacking energy: -6.273 Base-Backbone interact. energy: -0.013 local terms energy: -19.354024 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -5.298 flat angles C4'-P-C4' energy: -5.307 flat angles P-C4'-P energy: -2.862 tors. eta vs tors. theta energy: -0.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 16 Temperature: 1.200000 Total energy: -26.749574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.749574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.749574 (E_RNA) where: Base-Base interactions energy: -9.743 where: short stacking energy: -9.743 Base-Backbone interact. energy: -0.029 local terms energy: -16.977369 where: bonds (distance) C4'-P energy: -2.464 bonds (distance) P-C4' energy: -4.875 flat angles C4'-P-C4' energy: -5.500 flat angles P-C4'-P energy: -2.414 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: 8, replica: 3 ===================================== Write number: 16 Temperature: 1.250000 Total energy: -26.266280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.266280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.266280 (E_RNA) where: Base-Base interactions energy: -11.343 where: short stacking energy: -11.343 Base-Backbone interact. energy: -0.000 local terms energy: -14.922863 where: bonds (distance) C4'-P energy: -4.547 bonds (distance) P-C4' energy: -4.173 flat angles C4'-P-C4' energy: -0.850 flat angles P-C4'-P energy: -3.838 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: 9, replica: 9 ===================================== Write number: 16 Temperature: 1.300000 Total energy: -25.327703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.327703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.327703 (E_RNA) where: Base-Base interactions energy: -4.312 where: short stacking energy: -4.312 Base-Backbone interact. energy: -0.000 local terms energy: -21.015588 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.432 flat angles P-C4'-P energy: -4.166 tors. eta vs tors. theta energy: -1.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 16 Temperature: 1.350000 Total energy: -23.764340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.764340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.764340 (E_RNA) where: Base-Base interactions energy: -7.073 where: short stacking energy: -7.073 Base-Backbone interact. energy: -0.026 local terms energy: -16.665001 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -6.020 flat angles C4'-P-C4' energy: -5.007 flat angles P-C4'-P energy: -2.409 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: 5 ===================================== Write number: 17 Temperature: 0.900000 Total energy: -36.765777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.765777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.765777 (E_RNA) where: Base-Base interactions energy: -15.084 where: short stacking energy: -15.084 Base-Backbone interact. energy: -0.001 local terms energy: -21.680736 where: bonds (distance) C4'-P energy: -4.423 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -4.819 flat angles P-C4'-P energy: -3.015 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: 2, replica: 4 ===================================== Write number: 17 Temperature: 0.950000 Total energy: -33.725174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.725174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.725174 (E_RNA) where: Base-Base interactions energy: -13.597 where: short stacking energy: -13.597 Base-Backbone interact. energy: -0.175 local terms energy: -19.952808 where: bonds (distance) C4'-P energy: -4.513 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -5.222 flat angles P-C4'-P energy: -1.467 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: 3, replica: 10 ===================================== Write number: 17 Temperature: 1.000000 Total energy: -31.361828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.361828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.361828 (E_RNA) where: Base-Base interactions energy: -11.974 where: short stacking energy: -11.974 Base-Backbone interact. energy: -0.001 local terms energy: -19.386878 where: bonds (distance) C4'-P energy: -4.513 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -4.171 flat angles P-C4'-P energy: -3.202 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: 4, replica: 2 ===================================== Write number: 17 Temperature: 1.050000 Total energy: -32.452424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.452424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.452424 (E_RNA) where: Base-Base interactions energy: -14.918 where: short stacking energy: -14.918 Base-Backbone interact. energy: -0.000 local terms energy: -17.534014 where: bonds (distance) C4'-P energy: -1.077 bonds (distance) P-C4' energy: -5.522 flat angles C4'-P-C4' energy: -4.929 flat angles P-C4'-P energy: -1.198 tors. eta vs tors. theta energy: -4.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 17 Temperature: 1.100000 Total energy: -25.222188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.222188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.222188 (E_RNA) where: Base-Base interactions energy: -6.292 where: short stacking energy: -6.292 Base-Backbone interact. energy: -0.070 local terms energy: -18.860150 where: bonds (distance) C4'-P energy: -4.335 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -3.280 flat angles P-C4'-P energy: -3.663 tors. eta vs tors. theta energy: -1.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 17 Temperature: 1.150000 Total energy: -30.977885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.977885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.977885 (E_RNA) where: Base-Base interactions energy: -11.295 where: short stacking energy: -11.295 Base-Backbone interact. energy: -0.037 local terms energy: -19.646043 where: bonds (distance) C4'-P energy: -3.731 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.411 flat angles P-C4'-P energy: -3.238 tors. eta vs tors. theta energy: -1.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 17 Temperature: 1.200000 Total energy: -28.179987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.179987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.179987 (E_RNA) where: Base-Base interactions energy: -7.335 where: short stacking energy: -7.335 Base-Backbone interact. energy: -0.826 local terms energy: -20.018408 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.231 flat angles C4'-P-C4' energy: -5.275 flat angles P-C4'-P energy: -4.628 tors. eta vs tors. theta energy: 0.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 17 Temperature: 1.250000 Total energy: -25.735398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.735398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.735398 (E_RNA) where: Base-Base interactions energy: -6.776 where: short stacking energy: -6.776 Base-Backbone interact. energy: -0.000 local terms energy: -18.959095 where: bonds (distance) C4'-P energy: -5.010 bonds (distance) P-C4' energy: -4.473 flat angles C4'-P-C4' energy: -5.110 flat angles P-C4'-P energy: -3.330 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: 9, replica: 3 ===================================== Write number: 17 Temperature: 1.300000 Total energy: -31.770799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.770799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.770799 (E_RNA) where: Base-Base interactions energy: -11.094 where: short stacking energy: -11.094 Base-Backbone interact. energy: -0.030 local terms energy: -20.646779 where: bonds (distance) C4'-P energy: -4.600 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -5.711 flat angles P-C4'-P energy: -2.567 tors. eta vs tors. theta energy: -1.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 17 Temperature: 1.350000 Total energy: -22.600325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.600325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.600325 (E_RNA) where: Base-Base interactions energy: -3.123 where: short stacking energy: -3.123 Base-Backbone interact. energy: -0.002 local terms energy: -19.474443 where: bonds (distance) C4'-P energy: -5.159 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -5.187 flat angles P-C4'-P energy: -3.758 tors. eta vs tors. theta energy: 0.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 18 Temperature: 0.900000 Total energy: -33.704795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.704795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.704795 (E_RNA) where: Base-Base interactions energy: -10.697 where: short stacking energy: -10.697 Base-Backbone interact. energy: -0.002 local terms energy: -23.005973 where: bonds (distance) C4'-P energy: -3.661 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -5.626 flat angles P-C4'-P energy: -3.356 tors. eta vs tors. theta energy: -4.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 18 Temperature: 0.950000 Total energy: -35.114446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.114446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.114446 (E_RNA) where: Base-Base interactions energy: -13.608 where: short stacking energy: -13.608 Base-Backbone interact. energy: -0.065 local terms energy: -21.441082 where: bonds (distance) C4'-P energy: -4.227 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -5.045 flat angles P-C4'-P energy: -3.574 tors. eta vs tors. theta energy: -3.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 18 Temperature: 1.000000 Total energy: -25.368040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.368040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.368040 (E_RNA) where: Base-Base interactions energy: -7.226 where: short stacking energy: -8.488 Base-Backbone interact. energy: -0.553 local terms energy: -17.589247 where: bonds (distance) C4'-P energy: -5.010 bonds (distance) P-C4' energy: -3.691 flat angles C4'-P-C4' energy: -4.744 flat angles P-C4'-P energy: -3.380 tors. eta vs tors. theta energy: -0.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 18 Temperature: 1.050000 Total energy: -31.681978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.681978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.681978 (E_RNA) where: Base-Base interactions energy: -9.642 where: short stacking energy: -9.642 Base-Backbone interact. energy: -0.000 local terms energy: -22.039493 where: bonds (distance) C4'-P energy: -3.374 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.829 flat angles P-C4'-P energy: -4.627 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: 5, replica: 1 ===================================== Write number: 18 Temperature: 1.100000 Total energy: -31.255309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.255309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.255309 (E_RNA) where: Base-Base interactions energy: -10.093 where: short stacking energy: -10.093 Base-Backbone interact. energy: -0.010 local terms energy: -21.152072 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -4.709 flat angles C4'-P-C4' energy: -5.151 flat angles P-C4'-P energy: -2.673 tors. eta vs tors. theta energy: -3.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 18 Temperature: 1.150000 Total energy: -26.730544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.730544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.730544 (E_RNA) where: Base-Base interactions energy: -7.532 where: short stacking energy: -7.532 Base-Backbone interact. energy: -0.000 local terms energy: -19.198701 where: bonds (distance) C4'-P energy: -4.493 bonds (distance) P-C4' energy: -5.025 flat angles C4'-P-C4' energy: -5.137 flat angles P-C4'-P energy: -2.881 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: 7, replica: 9 ===================================== Write number: 18 Temperature: 1.200000 Total energy: -29.979858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.979858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.979858 (E_RNA) where: Base-Base interactions energy: -10.625 where: short stacking energy: -10.625 Base-Backbone interact. energy: -0.001 local terms energy: -19.353505 where: bonds (distance) C4'-P energy: -3.536 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -5.045 flat angles P-C4'-P energy: -3.564 tors. eta vs tors. theta energy: -1.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 18 Temperature: 1.250000 Total energy: -29.245764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.245764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.245764 (E_RNA) where: Base-Base interactions energy: -10.653 where: short stacking energy: -10.653 Base-Backbone interact. energy: -0.023 local terms energy: -18.569040 where: bonds (distance) C4'-P energy: -4.343 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -3.497 flat angles P-C4'-P energy: -4.499 tors. eta vs tors. theta energy: -1.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 18 Temperature: 1.300000 Total energy: -27.533929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.533929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.533929 (E_RNA) where: Base-Base interactions energy: -8.070 where: short stacking energy: -8.070 Base-Backbone interact. energy: -0.134 local terms energy: -19.330549 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.494 flat angles C4'-P-C4' energy: -3.802 flat angles P-C4'-P energy: -4.237 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: 3 ===================================== Write number: 18 Temperature: 1.350000 Total energy: -24.092088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.092088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.092088 (E_RNA) where: Base-Base interactions energy: -6.212 where: short stacking energy: -6.212 Base-Backbone interact. energy: -0.000 local terms energy: -17.880189 where: bonds (distance) C4'-P energy: -4.485 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.786 flat angles P-C4'-P energy: -2.368 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: 4 ===================================== Write number: 19 Temperature: 0.900000 Total energy: -34.047156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.047156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.047156 (E_RNA) where: Base-Base interactions energy: -12.558 where: short stacking energy: -12.558 Base-Backbone interact. energy: -0.000 local terms energy: -21.489127 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -4.946 flat angles P-C4'-P energy: -2.855 tors. eta vs tors. theta energy: -2.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 19 Temperature: 0.950000 Total energy: -36.418139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.418139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.418139 (E_RNA) where: Base-Base interactions energy: -15.151 where: short stacking energy: -15.151 Base-Backbone interact. energy: -0.000 local terms energy: -21.266689 where: bonds (distance) C4'-P energy: -4.397 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -3.956 flat angles P-C4'-P energy: -1.990 tors. eta vs tors. theta energy: -4.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 19 Temperature: 1.000000 Total energy: -37.451539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.451539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.451539 (E_RNA) where: Base-Base interactions energy: -14.512 where: short stacking energy: -14.512 Base-Backbone interact. energy: -0.000 local terms energy: -22.939721 where: bonds (distance) C4'-P energy: -4.173 bonds (distance) P-C4' energy: -5.286 flat angles C4'-P-C4' energy: -5.203 flat angles P-C4'-P energy: -4.234 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: 4, replica: 1 ===================================== Write number: 19 Temperature: 1.050000 Total energy: -32.927420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.927420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.927420 (E_RNA) where: Base-Base interactions energy: -11.932 where: short stacking energy: -11.932 Base-Backbone interact. energy: -0.000 local terms energy: -20.995566 where: bonds (distance) C4'-P energy: -4.405 bonds (distance) P-C4' energy: -5.231 flat angles C4'-P-C4' energy: -4.988 flat angles P-C4'-P energy: -2.805 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: 5, replica: 10 ===================================== Write number: 19 Temperature: 1.100000 Total energy: -30.129687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.129687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.129687 (E_RNA) where: Base-Base interactions energy: -11.698 where: short stacking energy: -11.698 Base-Backbone interact. energy: -0.000 local terms energy: -18.431891 where: bonds (distance) C4'-P energy: -4.778 bonds (distance) P-C4' energy: -4.706 flat angles C4'-P-C4' energy: -3.348 flat angles P-C4'-P energy: -4.425 tors. eta vs tors. theta energy: -1.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 19 Temperature: 1.150000 Total energy: -32.449911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.449911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.449911 (E_RNA) where: Base-Base interactions energy: -14.475 where: short stacking energy: -14.475 Base-Backbone interact. energy: -0.000 local terms energy: -17.975070 where: bonds (distance) C4'-P energy: -3.540 bonds (distance) P-C4' energy: -4.875 flat angles C4'-P-C4' energy: -1.950 flat angles P-C4'-P energy: -3.359 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: 7, replica: 7 ===================================== Write number: 19 Temperature: 1.200000 Total energy: -26.802368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.802368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.802368 (E_RNA) where: Base-Base interactions energy: -5.867 where: short stacking energy: -5.867 Base-Backbone interact. energy: -0.000 local terms energy: -20.934881 where: bonds (distance) C4'-P energy: -3.942 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.537 flat angles P-C4'-P energy: -3.639 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: 6 ===================================== Write number: 19 Temperature: 1.250000 Total energy: -30.815449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.815449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.815449 (E_RNA) where: Base-Base interactions energy: -9.750 where: short stacking energy: -9.750 Base-Backbone interact. energy: -0.000 local terms energy: -21.065005 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -5.049 flat angles P-C4'-P energy: -3.310 tors. eta vs tors. theta energy: -1.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 19 Temperature: 1.300000 Total energy: -25.907746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.907746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.907746 (E_RNA) where: Base-Base interactions energy: -5.507 where: short stacking energy: -5.507 Base-Backbone interact. energy: -0.098 local terms energy: -20.303064 where: bonds (distance) C4'-P energy: -4.865 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.046 flat angles P-C4'-P energy: -3.420 tors. eta vs tors. theta energy: -1.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 19 Temperature: 1.350000 Total energy: -30.702773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.702773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.702773 (E_RNA) where: Base-Base interactions energy: -11.242 where: short stacking energy: -11.242 Base-Backbone interact. energy: -0.000 local terms energy: -19.460935 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -4.838 flat angles P-C4'-P energy: -3.609 tors. eta vs tors. theta energy: -0.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 20 Temperature: 0.900000 Total energy: -35.403234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.403234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.403234 (E_RNA) where: Base-Base interactions energy: -12.327 where: short stacking energy: -12.327 Base-Backbone interact. energy: -0.000 local terms energy: -23.076312 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -5.206 flat angles P-C4'-P energy: -3.548 tors. eta vs tors. theta energy: -3.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 20 Temperature: 0.950000 Total energy: -33.887199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.887199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.887199 (E_RNA) where: Base-Base interactions energy: -13.298 where: short stacking energy: -13.298 Base-Backbone interact. energy: -0.000 local terms energy: -20.589152 where: bonds (distance) C4'-P energy: -3.135 bonds (distance) P-C4' energy: -5.293 flat angles C4'-P-C4' energy: -4.672 flat angles P-C4'-P energy: -3.636 tors. eta vs tors. theta energy: -3.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 20 Temperature: 1.000000 Total energy: -32.103355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.103355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.103355 (E_RNA) where: Base-Base interactions energy: -10.134 where: short stacking energy: -10.134 Base-Backbone interact. energy: -0.077 local terms energy: -21.892249 where: bonds (distance) C4'-P energy: -4.555 bonds (distance) P-C4' energy: -4.538 flat angles C4'-P-C4' energy: -4.876 flat angles P-C4'-P energy: -3.648 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: 4, replica: 5 ===================================== Write number: 20 Temperature: 1.050000 Total energy: -32.720814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.720814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.720814 (E_RNA) where: Base-Base interactions energy: -10.706 where: short stacking energy: -10.706 Base-Backbone interact. energy: -0.000 local terms energy: -22.014954 where: bonds (distance) C4'-P energy: -1.979 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.236 flat angles P-C4'-P energy: -3.229 tors. eta vs tors. theta energy: -5.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 20 Temperature: 1.100000 Total energy: -32.283520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.283520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.283520 (E_RNA) where: Base-Base interactions energy: -11.157 where: short stacking energy: -11.157 Base-Backbone interact. energy: -0.000 local terms energy: -21.125951 where: bonds (distance) C4'-P energy: -5.188 bonds (distance) P-C4' energy: -4.939 flat angles C4'-P-C4' energy: -5.385 flat angles P-C4'-P energy: -1.958 tors. eta vs tors. theta energy: -3.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 20 Temperature: 1.150000 Total energy: -30.614337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.614337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.614337 (E_RNA) where: Base-Base interactions energy: -11.988 where: short stacking energy: -11.988 Base-Backbone interact. energy: -0.040 local terms energy: -18.585926 where: bonds (distance) C4'-P energy: -4.261 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -4.396 flat angles P-C4'-P energy: -3.725 tors. eta vs tors. theta energy: -0.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 20 Temperature: 1.200000 Total energy: -24.106139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.106139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.106139 (E_RNA) where: Base-Base interactions energy: -6.946 where: short stacking energy: -7.210 Base-Backbone interact. energy: -0.025 local terms energy: -17.135039 where: bonds (distance) C4'-P energy: -4.786 bonds (distance) P-C4' energy: -5.516 flat angles C4'-P-C4' energy: -2.767 flat angles P-C4'-P energy: -3.792 tors. eta vs tors. theta energy: -0.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 20 Temperature: 1.250000 Total energy: -30.344607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.344607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.344607 (E_RNA) where: Base-Base interactions energy: -8.605 where: short stacking energy: -8.605 Base-Backbone interact. energy: -0.017 local terms energy: -21.722147 where: bonds (distance) C4'-P energy: -3.909 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.520 flat angles P-C4'-P energy: -4.040 tors. eta vs tors. theta energy: -2.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 20 Temperature: 1.300000 Total energy: -24.261652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.261652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.261652 (E_RNA) where: Base-Base interactions energy: -6.607 where: short stacking energy: -6.607 Base-Backbone interact. energy: -0.073 local terms energy: -17.581360 where: bonds (distance) C4'-P energy: -4.099 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -3.996 flat angles P-C4'-P energy: -4.362 tors. eta vs tors. theta energy: 1.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 20 Temperature: 1.350000 Total energy: -23.371985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.371985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.371985 (E_RNA) where: Base-Base interactions energy: -6.287 where: short stacking energy: -6.287 Base-Backbone interact. energy: -0.088 local terms energy: -16.996849 where: bonds (distance) C4'-P energy: -1.486 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -4.391 flat angles P-C4'-P energy: -4.306 tors. eta vs tors. theta energy: -1.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 21 Temperature: 0.900000 Total energy: -34.973541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.973541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.973541 (E_RNA) where: Base-Base interactions energy: -12.996 where: short stacking energy: -12.996 Base-Backbone interact. energy: -0.000 local terms energy: -21.977079 where: bonds (distance) C4'-P energy: -5.283 bonds (distance) P-C4' energy: -5.494 flat angles C4'-P-C4' energy: -4.886 flat angles P-C4'-P energy: -3.287 tors. eta vs tors. theta energy: -3.027 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: 2, replica: 4 ===================================== Write number: 21 Temperature: 0.950000 Total energy: -30.304023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.304023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.304023 (E_RNA) where: Base-Base interactions energy: -8.717 where: short stacking energy: -8.717 Base-Backbone interact. energy: -0.463 local terms energy: -21.124386 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -6.020 flat angles C4'-P-C4' energy: -5.311 flat angles P-C4'-P energy: -4.285 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: 3, replica: 1 ===================================== Write number: 21 Temperature: 1.000000 Total energy: -31.277785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.277785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.277785 (E_RNA) where: Base-Base interactions energy: -11.906 where: short stacking energy: -11.906 Base-Backbone interact. energy: -0.041 local terms energy: -19.331172 where: bonds (distance) C4'-P energy: -3.818 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.911 flat angles P-C4'-P energy: -1.963 tors. eta vs tors. theta energy: -2.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 21 Temperature: 1.050000 Total energy: -31.650774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.650774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.650774 (E_RNA) where: Base-Base interactions energy: -11.808 where: short stacking energy: -11.808 Base-Backbone interact. energy: -0.009 local terms energy: -19.833094 where: bonds (distance) C4'-P energy: -3.482 bonds (distance) P-C4' energy: -5.467 flat angles C4'-P-C4' energy: -4.940 flat angles P-C4'-P energy: -2.741 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: 5, replica: 5 ===================================== Write number: 21 Temperature: 1.100000 Total energy: -28.990793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.990793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.990793 (E_RNA) where: Base-Base interactions energy: -10.324 where: short stacking energy: -10.324 Base-Backbone interact. energy: -0.003 local terms energy: -18.663741 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -5.333 flat angles C4'-P-C4' energy: -4.155 flat angles P-C4'-P energy: -1.198 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: 6, replica: 6 ===================================== Write number: 21 Temperature: 1.150000 Total energy: -29.073176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.073176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.073176 (E_RNA) where: Base-Base interactions energy: -9.418 where: short stacking energy: -9.418 Base-Backbone interact. energy: -0.002 local terms energy: -19.653695 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -1.933 flat angles P-C4'-P energy: -3.460 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: 10 ===================================== Write number: 21 Temperature: 1.200000 Total energy: -24.630905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.630905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.630905 (E_RNA) where: Base-Base interactions energy: -7.752 where: short stacking energy: -7.752 Base-Backbone interact. energy: -0.036 local terms energy: -16.842920 where: bonds (distance) C4'-P energy: -5.159 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -3.512 flat angles P-C4'-P energy: -3.788 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: 3 ===================================== Write number: 21 Temperature: 1.250000 Total energy: -25.265748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.265748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.265748 (E_RNA) where: Base-Base interactions energy: -5.799 where: short stacking energy: -5.799 Base-Backbone interact. energy: 0.033 local terms energy: -19.500272 where: bonds (distance) C4'-P energy: -4.178 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.029 flat angles P-C4'-P energy: -4.342 tors. eta vs tors. theta energy: 0.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 21 Temperature: 1.300000 Total energy: -28.713882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.713882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.713882 (E_RNA) where: Base-Base interactions energy: -9.411 where: short stacking energy: -9.411 Base-Backbone interact. energy: -0.001 local terms energy: -19.301117 where: bonds (distance) C4'-P energy: -3.648 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -2.775 flat angles P-C4'-P energy: -3.015 tors. eta vs tors. theta energy: -4.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 21 Temperature: 1.350000 Total energy: -26.910517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.910517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.910517 (E_RNA) where: Base-Base interactions energy: -8.131 where: short stacking energy: -8.131 Base-Backbone interact. energy: -0.096 local terms energy: -18.682946 where: bonds (distance) C4'-P energy: -5.089 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -3.471 flat angles P-C4'-P energy: -2.441 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: 1, replica: 2 ===================================== Write number: 22 Temperature: 0.900000 Total energy: -39.028370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.028370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.028370 (E_RNA) where: Base-Base interactions energy: -16.832 where: short stacking energy: -16.832 Base-Backbone interact. energy: -0.003 local terms energy: -22.193124 where: bonds (distance) C4'-P energy: -5.010 bonds (distance) P-C4' energy: -5.572 flat angles C4'-P-C4' energy: -3.572 flat angles P-C4'-P energy: -3.689 tors. eta vs tors. theta energy: -4.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 22 Temperature: 0.950000 Total energy: -36.653816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.653816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.653816 (E_RNA) where: Base-Base interactions energy: -13.349 where: short stacking energy: -13.349 Base-Backbone interact. energy: -0.000 local terms energy: -23.305107 where: bonds (distance) C4'-P energy: -3.668 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.891 flat angles P-C4'-P energy: -3.187 tors. eta vs tors. theta energy: -5.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 22 Temperature: 1.000000 Total energy: -34.761724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.761724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.761724 (E_RNA) where: Base-Base interactions energy: -13.368 where: short stacking energy: -13.368 Base-Backbone interact. energy: -0.000 local terms energy: -21.393299 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.522 flat angles C4'-P-C4' energy: -4.700 flat angles P-C4'-P energy: -1.508 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: 4, replica: 1 ===================================== Write number: 22 Temperature: 1.050000 Total energy: -30.027836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.027836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.027836 (E_RNA) where: Base-Base interactions energy: -11.802 where: short stacking energy: -11.802 Base-Backbone interact. energy: -0.000 local terms energy: -18.225907 where: bonds (distance) C4'-P energy: -4.053 bonds (distance) P-C4' energy: -5.234 flat angles C4'-P-C4' energy: -3.286 flat angles P-C4'-P energy: -3.976 tors. eta vs tors. theta energy: -1.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 22 Temperature: 1.100000 Total energy: -34.087969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.087969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.087969 (E_RNA) where: Base-Base interactions energy: -16.033 where: short stacking energy: -16.033 Base-Backbone interact. energy: -0.001 local terms energy: -18.054220 where: bonds (distance) C4'-P energy: -4.103 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -2.373 flat angles P-C4'-P energy: -2.386 tors. eta vs tors. theta energy: -3.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 22 Temperature: 1.150000 Total energy: -28.641416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.641416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.641416 (E_RNA) where: Base-Base interactions energy: -10.684 where: short stacking energy: -10.684 Base-Backbone interact. energy: -0.069 local terms energy: -17.888676 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -4.366 flat angles C4'-P-C4' energy: -4.804 flat angles P-C4'-P energy: -3.294 tors. eta vs tors. theta energy: -0.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 22 Temperature: 1.200000 Total energy: -30.355267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.355267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.355267 (E_RNA) where: Base-Base interactions energy: -11.870 where: short stacking energy: -11.870 Base-Backbone interact. energy: -0.022 local terms energy: -18.463132 where: bonds (distance) C4'-P energy: -4.289 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -4.901 flat angles P-C4'-P energy: -2.900 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: 8, replica: 10 ===================================== Write number: 22 Temperature: 1.250000 Total energy: -26.263861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.263861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.263861 (E_RNA) where: Base-Base interactions energy: -8.089 where: short stacking energy: -8.089 Base-Backbone interact. energy: -0.000 local terms energy: -18.174886 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -3.691 flat angles P-C4'-P energy: -2.093 tors. eta vs tors. theta energy: -2.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 22 Temperature: 1.300000 Total energy: -23.155788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.155788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.155788 (E_RNA) where: Base-Base interactions energy: -2.449 where: short stacking energy: -2.449 Base-Backbone interact. energy: -0.022 local terms energy: -20.684186 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.346 flat angles P-C4'-P energy: -4.222 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: 7 ===================================== Write number: 22 Temperature: 1.350000 Total energy: -22.864853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.864853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.864853 (E_RNA) where: Base-Base interactions energy: -4.366 where: short stacking energy: -4.366 Base-Backbone interact. energy: -0.000 local terms energy: -18.498992 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.871 flat angles P-C4'-P energy: -3.738 tors. eta vs tors. theta energy: 1.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 23 Temperature: 0.900000 Total energy: -32.881732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.881732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.881732 (E_RNA) where: Base-Base interactions energy: -13.254 where: short stacking energy: -13.254 Base-Backbone interact. energy: -0.000 local terms energy: -19.626995 where: bonds (distance) C4'-P energy: -4.227 bonds (distance) P-C4' energy: -5.227 flat angles C4'-P-C4' energy: -4.308 flat angles P-C4'-P energy: -3.234 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: 2, replica: 9 ===================================== Write number: 23 Temperature: 0.950000 Total energy: -34.115510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.115510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.115510 (E_RNA) where: Base-Base interactions energy: -12.922 where: short stacking energy: -12.922 Base-Backbone interact. energy: -0.002 local terms energy: -21.191420 where: bonds (distance) C4'-P energy: -4.547 bonds (distance) P-C4' energy: -5.494 flat angles C4'-P-C4' energy: -4.894 flat angles P-C4'-P energy: -3.363 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: 3, replica: 4 ===================================== Write number: 23 Temperature: 1.000000 Total energy: -33.670420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.670420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.670420 (E_RNA) where: Base-Base interactions energy: -13.279 where: short stacking energy: -13.279 Base-Backbone interact. energy: -0.018 local terms energy: -20.373292 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -4.240 flat angles C4'-P-C4' energy: -5.608 flat angles P-C4'-P energy: -3.154 tors. eta vs tors. theta energy: -2.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 23 Temperature: 1.050000 Total energy: -34.432570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.432570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.432570 (E_RNA) where: Base-Base interactions energy: -11.749 where: short stacking energy: -11.749 Base-Backbone interact. energy: -0.037 local terms energy: -22.646142 where: bonds (distance) C4'-P energy: -4.529 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -5.025 flat angles P-C4'-P energy: -4.010 tors. eta vs tors. theta energy: -3.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 23 Temperature: 1.100000 Total energy: -28.193846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.193846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.193846 (E_RNA) where: Base-Base interactions energy: -8.590 where: short stacking energy: -8.590 Base-Backbone interact. energy: -0.013 local terms energy: -19.590691 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -5.694 flat angles P-C4'-P energy: -2.208 tors. eta vs tors. theta energy: -1.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 23 Temperature: 1.150000 Total energy: -35.087890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.087890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.087890 (E_RNA) where: Base-Base interactions energy: -12.600 where: short stacking energy: -13.900 Base-Backbone interact. energy: -0.000 local terms energy: -22.487547 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -4.935 flat angles C4'-P-C4' energy: -3.802 flat angles P-C4'-P energy: -3.674 tors. eta vs tors. theta energy: -4.710 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: 5 ===================================== Write number: 23 Temperature: 1.200000 Total energy: -26.756638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.756638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.756638 (E_RNA) where: Base-Base interactions energy: -7.996 where: short stacking energy: -7.996 Base-Backbone interact. energy: -0.014 local terms energy: -18.746465 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -1.054 flat angles P-C4'-P energy: -4.648 tors. eta vs tors. theta energy: -1.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 23 Temperature: 1.250000 Total energy: -29.626204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.626204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.626204 (E_RNA) where: Base-Base interactions energy: -10.007 where: short stacking energy: -10.007 Base-Backbone interact. energy: -0.000 local terms energy: -19.619260 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -5.494 flat angles C4'-P-C4' energy: -3.983 flat angles P-C4'-P energy: -2.479 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: 9, replica: 10 ===================================== Write number: 23 Temperature: 1.300000 Total energy: -26.811407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.811407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.811407 (E_RNA) where: Base-Base interactions energy: -6.302 where: short stacking energy: -6.302 Base-Backbone interact. energy: -0.001 local terms energy: -20.508584 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.992 flat angles P-C4'-P energy: -3.544 tors. eta vs tors. theta energy: -0.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 23 Temperature: 1.350000 Total energy: -24.627848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.627848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.627848 (E_RNA) where: Base-Base interactions energy: -9.007 where: short stacking energy: -9.007 Base-Backbone interact. energy: -0.001 local terms energy: -15.619295 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -2.620 flat angles C4'-P-C4' energy: -5.524 flat angles P-C4'-P energy: -2.540 tors. eta vs tors. theta energy: -0.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 24 Temperature: 0.900000 Total energy: -32.984060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.984060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.984060 (E_RNA) where: Base-Base interactions energy: -11.556 where: short stacking energy: -11.556 Base-Backbone interact. energy: -0.004 local terms energy: -21.424360 where: bonds (distance) C4'-P energy: -5.188 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.765 flat angles P-C4'-P energy: -4.457 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: 2, replica: 2 ===================================== Write number: 24 Temperature: 0.950000 Total energy: -30.574482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.574482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.574482 (E_RNA) where: Base-Base interactions energy: -8.419 where: short stacking energy: -8.419 Base-Backbone interact. energy: -0.003 local terms energy: -22.152516 where: bonds (distance) C4'-P energy: -5.010 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.041 flat angles P-C4'-P energy: -3.726 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: 3, replica: 6 ===================================== Write number: 24 Temperature: 1.000000 Total energy: -31.127624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.127624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.127624 (E_RNA) where: Base-Base interactions energy: -12.453 where: short stacking energy: -12.453 Base-Backbone interact. energy: -0.062 local terms energy: -18.612334 where: bonds (distance) C4'-P energy: -4.235 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -3.065 flat angles P-C4'-P energy: -2.760 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: 4, replica: 4 ===================================== Write number: 24 Temperature: 1.050000 Total energy: -32.813787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.813787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.813787 (E_RNA) where: Base-Base interactions energy: -10.215 where: short stacking energy: -10.215 Base-Backbone interact. energy: -0.000 local terms energy: -22.598449 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.244 flat angles P-C4'-P energy: -4.088 tors. eta vs tors. theta energy: -2.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 24 Temperature: 1.100000 Total energy: -30.996250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.996250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.996250 (E_RNA) where: Base-Base interactions energy: -10.827 where: short stacking energy: -10.827 Base-Backbone interact. energy: -0.027 local terms energy: -20.142954 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -4.354 flat angles P-C4'-P energy: -2.663 tors. eta vs tors. theta energy: -2.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 24 Temperature: 1.150000 Total energy: -29.042723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.042723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.042723 (E_RNA) where: Base-Base interactions energy: -11.835 where: short stacking energy: -11.835 Base-Backbone interact. energy: -0.060 local terms energy: -17.147758 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -3.234 flat angles P-C4'-P energy: -0.394 tors. eta vs tors. theta energy: -2.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 24 Temperature: 1.200000 Total energy: -25.787589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.787589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.787589 (E_RNA) where: Base-Base interactions energy: -7.756 where: short stacking energy: -8.004 Base-Backbone interact. energy: -0.014 local terms energy: -18.018295 where: bonds (distance) C4'-P energy: -3.552 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -5.501 flat angles P-C4'-P energy: -3.449 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: 8, replica: 5 ===================================== Write number: 24 Temperature: 1.250000 Total energy: -27.816515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.816515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.816515 (E_RNA) where: Base-Base interactions energy: -8.965 where: short stacking energy: -8.965 Base-Backbone interact. energy: -0.003 local terms energy: -18.848002 where: bonds (distance) C4'-P energy: -4.687 bonds (distance) P-C4' energy: -4.879 flat angles C4'-P-C4' energy: -4.652 flat angles P-C4'-P energy: -1.271 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: 9, replica: 7 ===================================== Write number: 24 Temperature: 1.300000 Total energy: -29.280616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.280616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.280616 (E_RNA) where: Base-Base interactions energy: -9.309 where: short stacking energy: -9.309 Base-Backbone interact. energy: -0.000 local terms energy: -19.971060 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -4.532 flat angles P-C4'-P energy: -3.272 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: 10, replica: 10 ===================================== Write number: 24 Temperature: 1.350000 Total energy: -25.639914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.639914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.639914 (E_RNA) where: Base-Base interactions energy: -8.494 where: short stacking energy: -8.494 Base-Backbone interact. energy: -0.094 local terms energy: -17.052455 where: bonds (distance) C4'-P energy: -3.839 bonds (distance) P-C4' energy: -4.832 flat angles C4'-P-C4' energy: -4.692 flat angles P-C4'-P energy: -2.246 tors. eta vs tors. theta energy: -1.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 25 Temperature: 0.900000 Total energy: -40.210030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.210030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.210030 (E_RNA) where: Base-Base interactions energy: -16.141 where: short stacking energy: -16.141 Base-Backbone interact. energy: -0.000 local terms energy: -24.068578 where: bonds (distance) C4'-P energy: -4.335 bonds (distance) P-C4' energy: -5.234 flat angles C4'-P-C4' energy: -5.712 flat angles P-C4'-P energy: -2.784 tors. eta vs tors. theta energy: -6.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 25 Temperature: 0.950000 Total energy: -36.906238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.906238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.906238 (E_RNA) where: Base-Base interactions energy: -13.187 where: short stacking energy: -13.187 Base-Backbone interact. energy: -0.000 local terms energy: -23.718881 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -5.432 flat angles P-C4'-P energy: -3.903 tors. eta vs tors. theta energy: -3.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 25 Temperature: 1.000000 Total energy: -30.151181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.151181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.151181 (E_RNA) where: Base-Base interactions energy: -12.300 where: short stacking energy: -12.300 Base-Backbone interact. energy: -0.050 local terms energy: -17.801483 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -3.475 flat angles P-C4'-P energy: -3.344 tors. eta vs tors. theta energy: -0.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 25 Temperature: 1.050000 Total energy: -32.504800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.504800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.504800 (E_RNA) where: Base-Base interactions energy: -11.206 where: short stacking energy: -11.206 Base-Backbone interact. energy: -0.000 local terms energy: -21.298455 where: bonds (distance) C4'-P energy: -2.737 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.081 flat angles P-C4'-P energy: -3.381 tors. eta vs tors. theta energy: -3.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 25 Temperature: 1.100000 Total energy: -28.555997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.555997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.555997 (E_RNA) where: Base-Base interactions energy: -10.210 where: short stacking energy: -10.210 Base-Backbone interact. energy: -0.000 local terms energy: -18.346198 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -3.963 flat angles P-C4'-P energy: -2.776 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: 6, replica: 8 ===================================== Write number: 25 Temperature: 1.150000 Total energy: -30.310232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.310232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.310232 (E_RNA) where: Base-Base interactions energy: -12.458 where: short stacking energy: -12.458 Base-Backbone interact. energy: -0.000 local terms energy: -17.852129 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -5.566 flat angles C4'-P-C4' energy: -1.447 flat angles P-C4'-P energy: -3.319 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: 7, replica: 1 ===================================== Write number: 25 Temperature: 1.200000 Total energy: -28.259730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.259730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.259730 (E_RNA) where: Base-Base interactions energy: -7.399 where: short stacking energy: -7.399 Base-Backbone interact. energy: -0.058 local terms energy: -20.803450 where: bonds (distance) C4'-P energy: -4.169 bonds (distance) P-C4' energy: -4.639 flat angles C4'-P-C4' energy: -5.623 flat angles P-C4'-P energy: -3.297 tors. eta vs tors. theta energy: -3.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 25 Temperature: 1.250000 Total energy: -26.800893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.800893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.800893 (E_RNA) where: Base-Base interactions energy: -8.259 where: short stacking energy: -8.600 Base-Backbone interact. energy: -0.088 local terms energy: -18.453210 where: bonds (distance) C4'-P energy: -4.219 bonds (distance) P-C4' energy: -4.969 flat angles C4'-P-C4' energy: -3.591 flat angles P-C4'-P energy: -3.047 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: 9, replica: 5 ===================================== Write number: 25 Temperature: 1.300000 Total energy: -27.146440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.146440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.146440 (E_RNA) where: Base-Base interactions energy: -9.885 where: short stacking energy: -9.885 Base-Backbone interact. energy: -0.000 local terms energy: -17.261508 where: bonds (distance) C4'-P energy: -4.803 bonds (distance) P-C4' energy: -2.662 flat angles C4'-P-C4' energy: -3.343 flat angles P-C4'-P energy: -3.202 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: 10, replica: 10 ===================================== Write number: 25 Temperature: 1.350000 Total energy: -27.238917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.238917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.238917 (E_RNA) where: Base-Base interactions energy: -8.058 where: short stacking energy: -8.058 Base-Backbone interact. energy: -0.096 local terms energy: -19.084726 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -4.706 flat angles C4'-P-C4' energy: -4.808 flat angles P-C4'-P energy: -3.267 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: 1, replica: 9 ===================================== Write number: 26 Temperature: 0.900000 Total energy: -35.747621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.747621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.747621 (E_RNA) where: Base-Base interactions energy: -13.224 where: short stacking energy: -13.224 Base-Backbone interact. energy: -0.046 local terms energy: -22.477514 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.556 flat angles P-C4'-P energy: -2.646 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: 2, replica: 6 ===================================== Write number: 26 Temperature: 0.950000 Total energy: -32.746963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.746963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.746963 (E_RNA) where: Base-Base interactions energy: -10.797 where: short stacking energy: -10.797 Base-Backbone interact. energy: -0.000 local terms energy: -21.949984 where: bonds (distance) C4'-P energy: -4.397 bonds (distance) P-C4' energy: -4.544 flat angles C4'-P-C4' energy: -4.093 flat angles P-C4'-P energy: -4.455 tors. eta vs tors. theta energy: -4.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 26 Temperature: 1.000000 Total energy: -28.098923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.098923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.098923 (E_RNA) where: Base-Base interactions energy: -7.622 where: short stacking energy: -7.622 Base-Backbone interact. energy: -0.001 local terms energy: -20.475600 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -5.470 flat angles C4'-P-C4' energy: -5.183 flat angles P-C4'-P energy: -4.128 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: 4, replica: 3 ===================================== Write number: 26 Temperature: 1.050000 Total energy: -36.854307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.854307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.854307 (E_RNA) where: Base-Base interactions energy: -11.468 where: short stacking energy: -11.468 Base-Backbone interact. energy: -0.000 local terms energy: -25.386290 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.551 flat angles P-C4'-P energy: -4.178 tors. eta vs tors. theta energy: -5.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 26 Temperature: 1.100000 Total energy: -27.134240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.134240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.134240 (E_RNA) where: Base-Base interactions energy: -11.058 where: short stacking energy: -11.058 Base-Backbone interact. energy: -0.029 local terms energy: -16.047940 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -3.454 flat angles P-C4'-P energy: -0.696 tors. eta vs tors. theta energy: -0.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 26 Temperature: 1.150000 Total energy: -30.670426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.670426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.670426 (E_RNA) where: Base-Base interactions energy: -13.491 where: short stacking energy: -13.491 Base-Backbone interact. energy: -0.024 local terms energy: -17.155126 where: bonds (distance) C4'-P energy: -2.940 bonds (distance) P-C4' energy: -5.298 flat angles C4'-P-C4' energy: -4.711 flat angles P-C4'-P energy: -1.885 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: 7 ===================================== Write number: 26 Temperature: 1.200000 Total energy: -29.331458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.331458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.331458 (E_RNA) where: Base-Base interactions energy: -9.266 where: short stacking energy: -9.266 Base-Backbone interact. energy: -0.003 local terms energy: -20.062368 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -4.346 flat angles P-C4'-P energy: -0.564 tors. eta vs tors. theta energy: -4.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 26 Temperature: 1.250000 Total energy: -30.019090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.019090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.019090 (E_RNA) where: Base-Base interactions energy: -9.292 where: short stacking energy: -9.292 Base-Backbone interact. energy: -0.000 local terms energy: -20.726500 where: bonds (distance) C4'-P energy: -2.985 bonds (distance) P-C4' energy: -4.252 flat angles C4'-P-C4' energy: -4.772 flat angles P-C4'-P energy: -3.045 tors. eta vs tors. theta energy: -5.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 26 Temperature: 1.300000 Total energy: -27.015877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.015877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.015877 (E_RNA) where: Base-Base interactions energy: -7.549 where: short stacking energy: -7.549 Base-Backbone interact. energy: -0.005 local terms energy: -19.461914 where: bonds (distance) C4'-P energy: -4.111 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.308 flat angles P-C4'-P energy: -2.928 tors. eta vs tors. theta energy: -1.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 26 Temperature: 1.350000 Total energy: -28.415554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.415554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.415554 (E_RNA) where: Base-Base interactions energy: -7.011 where: short stacking energy: -7.011 Base-Backbone interact. energy: -0.000 local terms energy: -21.404315 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.593 flat angles P-C4'-P energy: -2.560 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: 1, replica: 9 ===================================== Write number: 27 Temperature: 0.900000 Total energy: -37.281409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.281409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.281409 (E_RNA) where: Base-Base interactions energy: -14.343 where: short stacking energy: -14.343 Base-Backbone interact. energy: -0.000 local terms energy: -22.937957 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.237 flat angles C4'-P-C4' energy: -3.074 flat angles P-C4'-P energy: -4.190 tors. eta vs tors. theta energy: -5.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 27 Temperature: 0.950000 Total energy: -30.401242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.401242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.401242 (E_RNA) where: Base-Base interactions energy: -9.259 where: short stacking energy: -9.259 Base-Backbone interact. energy: -0.000 local terms energy: -21.142512 where: bonds (distance) C4'-P energy: -4.261 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -3.821 flat angles P-C4'-P energy: -2.608 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: 6 ===================================== Write number: 27 Temperature: 1.000000 Total energy: -32.560152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.560152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.560152 (E_RNA) where: Base-Base interactions energy: -11.505 where: short stacking energy: -11.505 Base-Backbone interact. energy: -0.200 local terms energy: -20.855515 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.540 flat angles C4'-P-C4' energy: -5.560 flat angles P-C4'-P energy: -3.778 tors. eta vs tors. theta energy: -0.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 27 Temperature: 1.050000 Total energy: -33.109556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.109556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.109556 (E_RNA) where: Base-Base interactions energy: -11.019 where: short stacking energy: -11.019 Base-Backbone interact. energy: -0.001 local terms energy: -22.089268 where: bonds (distance) C4'-P energy: -4.787 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -4.248 flat angles P-C4'-P energy: -2.712 tors. eta vs tors. theta energy: -4.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 27 Temperature: 1.100000 Total energy: -28.359455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.359455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.359455 (E_RNA) where: Base-Base interactions energy: -8.458 where: short stacking energy: -8.458 Base-Backbone interact. energy: -0.000 local terms energy: -19.901739 where: bonds (distance) C4'-P energy: -5.126 bonds (distance) P-C4' energy: -4.470 flat angles C4'-P-C4' energy: -5.821 flat angles P-C4'-P energy: -2.965 tors. eta vs tors. theta energy: -1.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 27 Temperature: 1.150000 Total energy: -27.027841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.027841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.027841 (E_RNA) where: Base-Base interactions energy: -6.907 where: short stacking energy: -6.907 Base-Backbone interact. energy: -0.000 local terms energy: -20.120342 where: bonds (distance) C4'-P energy: -4.227 bonds (distance) P-C4' energy: -4.879 flat angles C4'-P-C4' energy: -2.415 flat angles P-C4'-P energy: -4.416 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: 7, replica: 4 ===================================== Write number: 27 Temperature: 1.200000 Total energy: -31.142285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.142285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.142285 (E_RNA) where: Base-Base interactions energy: -12.650 where: short stacking energy: -12.911 Base-Backbone interact. energy: -0.052 local terms energy: -18.440009 where: bonds (distance) C4'-P energy: -3.126 bonds (distance) P-C4' energy: -4.646 flat angles C4'-P-C4' energy: -4.083 flat angles P-C4'-P energy: -4.244 tors. eta vs tors. theta energy: -2.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 27 Temperature: 1.250000 Total energy: -25.023377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.023377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.023377 (E_RNA) where: Base-Base interactions energy: -9.552 where: short stacking energy: -9.552 Base-Backbone interact. energy: -0.035 local terms energy: -15.436152 where: bonds (distance) C4'-P energy: -2.869 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -3.653 flat angles P-C4'-P energy: -2.151 tors. eta vs tors. theta energy: -1.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 27 Temperature: 1.300000 Total energy: -27.563961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.563961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.563961 (E_RNA) where: Base-Base interactions energy: -8.235 where: short stacking energy: -8.235 Base-Backbone interact. energy: -0.000 local terms energy: -19.328422 where: bonds (distance) C4'-P energy: -2.771 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.519 flat angles P-C4'-P energy: -3.074 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: 5 ===================================== Write number: 27 Temperature: 1.350000 Total energy: -25.755141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.755141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.755141 (E_RNA) where: Base-Base interactions energy: -6.114 where: short stacking energy: -6.114 Base-Backbone interact. energy: -0.100 local terms energy: -19.541761 where: bonds (distance) C4'-P energy: -5.391 bonds (distance) P-C4' energy: -4.258 flat angles C4'-P-C4' energy: -5.094 flat angles P-C4'-P energy: -2.274 tors. eta vs tors. theta energy: -2.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 28 Temperature: 0.900000 Total energy: -33.949608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.949608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.949608 (E_RNA) where: Base-Base interactions energy: -11.493 where: short stacking energy: -12.047 Base-Backbone interact. energy: -0.007 local terms energy: -22.449818 where: bonds (distance) C4'-P energy: -4.779 bonds (distance) P-C4' energy: -5.516 flat angles C4'-P-C4' energy: -4.835 flat angles P-C4'-P energy: -3.896 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: 2, replica: 9 ===================================== Write number: 28 Temperature: 0.950000 Total energy: -37.318563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.318563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.318563 (E_RNA) where: Base-Base interactions energy: -13.963 where: short stacking energy: -13.963 Base-Backbone interact. energy: -0.000 local terms energy: -23.355356 where: bonds (distance) C4'-P energy: -3.756 bonds (distance) P-C4' energy: -4.578 flat angles C4'-P-C4' energy: -5.221 flat angles P-C4'-P energy: -3.889 tors. eta vs tors. theta energy: -5.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 28 Temperature: 1.000000 Total energy: -33.711489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.711489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.711489 (E_RNA) where: Base-Base interactions energy: -10.253 where: short stacking energy: -10.253 Base-Backbone interact. energy: -0.012 local terms energy: -23.445949 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -5.166 flat angles P-C4'-P energy: -3.223 tors. eta vs tors. theta energy: -3.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 28 Temperature: 1.050000 Total energy: -33.676270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.676270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.676270 (E_RNA) where: Base-Base interactions energy: -12.328 where: short stacking energy: -12.328 Base-Backbone interact. energy: -0.001 local terms energy: -21.347836 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.587 flat angles P-C4'-P energy: -2.789 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: 5, replica: 7 ===================================== Write number: 28 Temperature: 1.100000 Total energy: -27.010635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.010635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.010635 (E_RNA) where: Base-Base interactions energy: -9.560 where: short stacking energy: -9.560 Base-Backbone interact. energy: -0.001 local terms energy: -17.450080 where: bonds (distance) C4'-P energy: -4.493 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -4.623 flat angles P-C4'-P energy: -3.289 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: 6, replica: 3 ===================================== Write number: 28 Temperature: 1.150000 Total energy: -29.860537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.860537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.860537 (E_RNA) where: Base-Base interactions energy: -8.023 where: short stacking energy: -8.023 Base-Backbone interact. energy: -0.069 local terms energy: -21.768800 where: bonds (distance) C4'-P energy: -4.307 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.156 flat angles P-C4'-P energy: -4.225 tors. eta vs tors. theta energy: -3.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 28 Temperature: 1.200000 Total energy: -28.153576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.153576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.153576 (E_RNA) where: Base-Base interactions energy: -8.339 where: short stacking energy: -8.339 Base-Backbone interact. energy: -0.003 local terms energy: -19.811757 where: bonds (distance) C4'-P energy: -3.685 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -4.583 flat angles P-C4'-P energy: -3.837 tors. eta vs tors. theta energy: -1.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 28 Temperature: 1.250000 Total energy: -24.981365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.981365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.981365 (E_RNA) where: Base-Base interactions energy: -7.068 where: short stacking energy: -7.068 Base-Backbone interact. energy: -0.081 local terms energy: -17.832253 where: bonds (distance) C4'-P energy: -4.173 bonds (distance) P-C4' energy: -4.706 flat angles C4'-P-C4' energy: -4.839 flat angles P-C4'-P energy: -2.998 tors. eta vs tors. theta energy: -1.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 28 Temperature: 1.300000 Total energy: -24.347995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.347995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.347995 (E_RNA) where: Base-Base interactions energy: -7.756 where: short stacking energy: -7.756 Base-Backbone interact. energy: -0.041 local terms energy: -16.550824 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -4.835 flat angles C4'-P-C4' energy: -4.003 flat angles P-C4'-P energy: -3.310 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: 10, replica: 10 ===================================== Write number: 28 Temperature: 1.350000 Total energy: -24.877290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.877290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.877290 (E_RNA) where: Base-Base interactions energy: -11.119 where: short stacking energy: -11.119 Base-Backbone interact. energy: -0.000 local terms energy: -13.758662 where: bonds (distance) C4'-P energy: -3.127 bonds (distance) P-C4' energy: -3.814 flat angles C4'-P-C4' energy: -3.491 flat angles P-C4'-P energy: -2.020 tors. eta vs tors. theta energy: -1.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 29 Temperature: 0.900000 Total energy: -34.154501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.154501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.154501 (E_RNA) where: Base-Base interactions energy: -13.295 where: short stacking energy: -13.295 Base-Backbone interact. energy: -0.020 local terms energy: -20.838882 where: bonds (distance) C4'-P energy: -4.911 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.322 flat angles P-C4'-P energy: -2.838 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: 2, replica: 8 ===================================== Write number: 29 Temperature: 0.950000 Total energy: -32.703510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.703510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.703510 (E_RNA) where: Base-Base interactions energy: -11.707 where: short stacking energy: -11.707 Base-Backbone interact. energy: -0.030 local terms energy: -20.966230 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.561 flat angles P-C4'-P energy: -2.614 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: 3, replica: 9 ===================================== Write number: 29 Temperature: 1.000000 Total energy: -35.193924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.193924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.193924 (E_RNA) where: Base-Base interactions energy: -11.531 where: short stacking energy: -11.531 Base-Backbone interact. energy: -0.000 local terms energy: -23.663210 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -4.780 flat angles C4'-P-C4' energy: -5.712 flat angles P-C4'-P energy: -4.335 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: 4, replica: 7 ===================================== Write number: 29 Temperature: 1.050000 Total energy: -29.827628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.827628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.827628 (E_RNA) where: Base-Base interactions energy: -9.043 where: short stacking energy: -9.043 Base-Backbone interact. energy: -0.004 local terms energy: -20.780805 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -3.460 flat angles P-C4'-P energy: -4.069 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: 5, replica: 6 ===================================== Write number: 29 Temperature: 1.100000 Total energy: -30.732022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.732022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.732022 (E_RNA) where: Base-Base interactions energy: -11.497 where: short stacking energy: -11.497 Base-Backbone interact. energy: -0.006 local terms energy: -19.229016 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -4.295 flat angles P-C4'-P energy: -1.396 tors. eta vs tors. theta energy: -2.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 29 Temperature: 1.150000 Total energy: -33.335346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.335346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.335346 (E_RNA) where: Base-Base interactions energy: -13.448 where: short stacking energy: -13.448 Base-Backbone interact. energy: -0.016 local terms energy: -19.872147 where: bonds (distance) C4'-P energy: -2.853 bonds (distance) P-C4' energy: -4.702 flat angles C4'-P-C4' energy: -5.387 flat angles P-C4'-P energy: -2.960 tors. eta vs tors. theta energy: -3.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 29 Temperature: 1.200000 Total energy: -23.232181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.232181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.232181 (E_RNA) where: Base-Base interactions energy: -7.788 where: short stacking energy: -7.788 Base-Backbone interact. energy: -0.017 local terms energy: -15.427499 where: bonds (distance) C4'-P energy: -5.010 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -3.832 flat angles P-C4'-P energy: -1.406 tors. eta vs tors. theta energy: 0.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 29 Temperature: 1.250000 Total energy: -27.395878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.395878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.395878 (E_RNA) where: Base-Base interactions energy: -9.804 where: short stacking energy: -9.804 Base-Backbone interact. energy: -0.000 local terms energy: -17.591314 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -2.794 flat angles P-C4'-P energy: -2.690 tors. eta vs tors. theta energy: -0.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 29 Temperature: 1.300000 Total energy: -28.389002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.389002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.389002 (E_RNA) where: Base-Base interactions energy: -8.361 where: short stacking energy: -8.361 Base-Backbone interact. energy: -0.000 local terms energy: -20.027587 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.305 flat angles C4'-P-C4' energy: -3.424 flat angles P-C4'-P energy: -3.976 tors. eta vs tors. theta energy: -2.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 29 Temperature: 1.350000 Total energy: -23.316505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.316505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.316505 (E_RNA) where: Base-Base interactions energy: -8.249 where: short stacking energy: -8.006 Base-Backbone interact. energy: -0.417 local terms energy: -14.650539 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -2.170 flat angles P-C4'-P energy: -2.586 tors. eta vs tors. theta energy: 0.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 30 Temperature: 0.900000 Total energy: -39.709170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.709170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.709170 (E_RNA) where: Base-Base interactions energy: -15.507 where: short stacking energy: -15.507 Base-Backbone interact. energy: -0.000 local terms energy: -24.201766 where: bonds (distance) C4'-P energy: -4.716 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -4.410 flat angles P-C4'-P energy: -3.650 tors. eta vs tors. theta energy: -6.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 30 Temperature: 0.950000 Total energy: -30.840136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.840136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.840136 (E_RNA) where: Base-Base interactions energy: -10.994 where: short stacking energy: -10.994 Base-Backbone interact. energy: -0.100 local terms energy: -19.745664 where: bonds (distance) C4'-P energy: -4.289 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.906 flat angles P-C4'-P energy: -3.621 tors. eta vs tors. theta energy: -0.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 30 Temperature: 1.000000 Total energy: -30.981249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.981249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.981249 (E_RNA) where: Base-Base interactions energy: -12.137 where: short stacking energy: -12.137 Base-Backbone interact. energy: -0.000 local terms energy: -18.844578 where: bonds (distance) C4'-P energy: -4.653 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -4.789 flat angles P-C4'-P energy: -3.490 tors. eta vs tors. theta energy: -1.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 30 Temperature: 1.050000 Total energy: -33.482576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.482576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.482576 (E_RNA) where: Base-Base interactions energy: -11.670 where: short stacking energy: -11.670 Base-Backbone interact. energy: -0.011 local terms energy: -21.801962 where: bonds (distance) C4'-P energy: -3.366 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -5.366 flat angles P-C4'-P energy: -4.608 tors. eta vs tors. theta energy: -3.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 30 Temperature: 1.100000 Total energy: -36.130681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.130681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.130681 (E_RNA) where: Base-Base interactions energy: -13.974 where: short stacking energy: -13.974 Base-Backbone interact. energy: -0.000 local terms energy: -22.156167 where: bonds (distance) C4'-P energy: -5.312 bonds (distance) P-C4' energy: -3.642 flat angles C4'-P-C4' energy: -4.618 flat angles P-C4'-P energy: -2.521 tors. eta vs tors. theta energy: -6.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 30 Temperature: 1.150000 Total energy: -28.744000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.744000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.744000 (E_RNA) where: Base-Base interactions energy: -9.051 where: short stacking energy: -9.051 Base-Backbone interact. energy: -0.000 local terms energy: -19.692909 where: bonds (distance) C4'-P energy: -4.315 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -5.206 flat angles P-C4'-P energy: -2.741 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: 7, replica: 4 ===================================== Write number: 30 Temperature: 1.200000 Total energy: -26.309724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.309724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.309724 (E_RNA) where: Base-Base interactions energy: -6.539 where: short stacking energy: -6.539 Base-Backbone interact. energy: -0.000 local terms energy: -19.771103 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -4.872 flat angles C4'-P-C4' energy: -4.484 flat angles P-C4'-P energy: -2.723 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: 8, replica: 3 ===================================== Write number: 30 Temperature: 1.250000 Total energy: -31.011938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.011938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.011938 (E_RNA) where: Base-Base interactions energy: -14.656 where: short stacking energy: -14.656 Base-Backbone interact. energy: -0.012 local terms energy: -16.344580 where: bonds (distance) C4'-P energy: -3.934 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -3.206 flat angles P-C4'-P energy: -2.143 tors. eta vs tors. theta energy: -1.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 30 Temperature: 1.300000 Total energy: -26.823124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.823124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.823124 (E_RNA) where: Base-Base interactions energy: -8.007 where: short stacking energy: -8.007 Base-Backbone interact. energy: -0.099 local terms energy: -18.716743 where: bonds (distance) C4'-P energy: -5.598 bonds (distance) P-C4' energy: -4.639 flat angles C4'-P-C4' energy: -5.088 flat angles P-C4'-P energy: -3.287 tors. eta vs tors. theta energy: -0.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 30 Temperature: 1.350000 Total energy: -23.232307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.232307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.232307 (E_RNA) where: Base-Base interactions energy: -10.028 where: short stacking energy: -10.028 Base-Backbone interact. energy: -0.051 local terms energy: -13.153302 where: bonds (distance) C4'-P energy: -2.124 bonds (distance) P-C4' energy: -3.920 flat angles C4'-P-C4' energy: -3.952 flat angles P-C4'-P energy: -1.245 tors. eta vs tors. theta energy: -1.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 31 Temperature: 0.900000 Total energy: -31.269318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.269318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.269318 (E_RNA) where: Base-Base interactions energy: -10.670 where: short stacking energy: -10.670 Base-Backbone interact. energy: -0.091 local terms energy: -20.508303 where: bonds (distance) C4'-P energy: -5.018 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -5.834 flat angles P-C4'-P energy: -2.143 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: 2, replica: 7 ===================================== Write number: 31 Temperature: 0.950000 Total energy: -35.688505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.688505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.688505 (E_RNA) where: Base-Base interactions energy: -14.736 where: short stacking energy: -14.736 Base-Backbone interact. energy: -0.001 local terms energy: -20.951794 where: bonds (distance) C4'-P energy: -3.934 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -3.758 flat angles P-C4'-P energy: -3.494 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: 3, replica: 2 ===================================== Write number: 31 Temperature: 1.000000 Total energy: -30.840328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.840328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.840328 (E_RNA) where: Base-Base interactions energy: -10.969 where: short stacking energy: -10.969 Base-Backbone interact. energy: -0.015 local terms energy: -19.855882 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -3.785 flat angles P-C4'-P energy: -3.316 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: 4, replica: 1 ===================================== Write number: 31 Temperature: 1.050000 Total energy: -28.272265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.272265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.272265 (E_RNA) where: Base-Base interactions energy: -6.136 where: short stacking energy: -6.136 Base-Backbone interact. energy: -0.093 local terms energy: -22.044154 where: bonds (distance) C4'-P energy: -5.498 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.341 flat angles P-C4'-P energy: -4.553 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: 5, replica: 9 ===================================== Write number: 31 Temperature: 1.100000 Total energy: -27.048809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.048809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.048809 (E_RNA) where: Base-Base interactions energy: -9.028 where: short stacking energy: -9.028 Base-Backbone interact. energy: -0.116 local terms energy: -17.904197 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -6.020 flat angles C4'-P-C4' energy: -2.267 flat angles P-C4'-P energy: -1.113 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: 6, replica: 4 ===================================== Write number: 31 Temperature: 1.150000 Total energy: -30.039114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.039114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.039114 (E_RNA) where: Base-Base interactions energy: -11.574 where: short stacking energy: -11.574 Base-Backbone interact. energy: -0.004 local terms energy: -18.460851 where: bonds (distance) C4'-P energy: -3.528 bonds (distance) P-C4' energy: -3.572 flat angles C4'-P-C4' energy: -5.801 flat angles P-C4'-P energy: -4.620 tors. eta vs tors. theta energy: -0.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 31 Temperature: 1.200000 Total energy: -25.685841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.685841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.685841 (E_RNA) where: Base-Base interactions energy: -8.396 where: short stacking energy: -8.396 Base-Backbone interact. energy: -0.001 local terms energy: -17.288257 where: bonds (distance) C4'-P energy: -3.784 bonds (distance) P-C4' energy: -4.702 flat angles C4'-P-C4' energy: -5.533 flat angles P-C4'-P energy: -1.937 tors. eta vs tors. theta energy: -1.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 31 Temperature: 1.250000 Total energy: -28.664049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.664049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.664049 (E_RNA) where: Base-Base interactions energy: -6.583 where: short stacking energy: -6.583 Base-Backbone interact. energy: -0.109 local terms energy: -21.972048 where: bonds (distance) C4'-P energy: -5.167 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.401 flat angles P-C4'-P energy: -4.263 tors. eta vs tors. theta energy: -2.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 31 Temperature: 1.300000 Total energy: -27.789606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.789606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.789606 (E_RNA) where: Base-Base interactions energy: -8.015 where: short stacking energy: -8.015 Base-Backbone interact. energy: 0.320 local terms energy: -20.095372 where: bonds (distance) C4'-P energy: -4.513 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -4.091 flat angles P-C4'-P energy: -4.607 tors. eta vs tors. theta energy: -1.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 31 Temperature: 1.350000 Total energy: -25.803295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.803295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.803295 (E_RNA) where: Base-Base interactions energy: -6.621 where: short stacking energy: -6.621 Base-Backbone interact. energy: -0.106 local terms energy: -19.076280 where: bonds (distance) C4'-P energy: -3.466 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -4.319 flat angles P-C4'-P energy: -3.790 tors. eta vs tors. theta energy: -1.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 32 Temperature: 0.900000 Total energy: -32.937239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.937239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.937239 (E_RNA) where: Base-Base interactions energy: -11.130 where: short stacking energy: -11.130 Base-Backbone interact. energy: -0.000 local terms energy: -21.807551 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -3.960 flat angles P-C4'-P energy: -4.044 tors. eta vs tors. theta energy: -2.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 32 Temperature: 0.950000 Total energy: -33.800354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.800354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.800354 (E_RNA) where: Base-Base interactions energy: -13.398 where: short stacking energy: -13.398 Base-Backbone interact. energy: -0.000 local terms energy: -20.402394 where: bonds (distance) C4'-P energy: -4.165 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -5.712 flat angles P-C4'-P energy: -2.568 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: 3, replica: 1 ===================================== Write number: 32 Temperature: 1.000000 Total energy: -30.608921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.608921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.608921 (E_RNA) where: Base-Base interactions energy: -11.717 where: short stacking energy: -11.717 Base-Backbone interact. energy: -0.005 local terms energy: -18.886671 where: bonds (distance) C4'-P energy: -4.137 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -4.338 flat angles P-C4'-P energy: -2.244 tors. eta vs tors. theta energy: -2.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 32 Temperature: 1.050000 Total energy: -33.561958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.561958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.561958 (E_RNA) where: Base-Base interactions energy: -11.553 where: short stacking energy: -11.553 Base-Backbone interact. energy: -0.000 local terms energy: -22.008844 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -4.945 flat angles P-C4'-P energy: -3.320 tors. eta vs tors. theta energy: -3.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 32 Temperature: 1.100000 Total energy: -29.994606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.994606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.994606 (E_RNA) where: Base-Base interactions energy: -11.720 where: short stacking energy: -11.720 Base-Backbone interact. energy: -0.003 local terms energy: -18.271812 where: bonds (distance) C4'-P energy: -3.313 bonds (distance) P-C4' energy: -5.305 flat angles C4'-P-C4' energy: -3.954 flat angles P-C4'-P energy: -3.104 tors. eta vs tors. theta energy: -2.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 32 Temperature: 1.150000 Total energy: -30.533936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.533936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.533936 (E_RNA) where: Base-Base interactions energy: -11.133 where: short stacking energy: -11.133 Base-Backbone interact. energy: -0.145 local terms energy: -19.255908 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -4.935 flat angles C4'-P-C4' energy: -3.611 flat angles P-C4'-P energy: -3.810 tors. eta vs tors. theta energy: -1.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 32 Temperature: 1.200000 Total energy: -27.589694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.589694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.589694 (E_RNA) where: Base-Base interactions energy: -7.901 where: short stacking energy: -7.901 Base-Backbone interact. energy: -0.002 local terms energy: -19.686855 where: bonds (distance) C4'-P energy: -2.194 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -3.633 flat angles P-C4'-P energy: -3.307 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: 8, replica: 10 ===================================== Write number: 32 Temperature: 1.250000 Total energy: -23.979418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.979418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.979418 (E_RNA) where: Base-Base interactions energy: -6.296 where: short stacking energy: -7.898 Base-Backbone interact. energy: -0.007 local terms energy: -17.676627 where: bonds (distance) C4'-P energy: -4.199 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.216 flat angles P-C4'-P energy: -1.557 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: 9, replica: 5 ===================================== Write number: 32 Temperature: 1.300000 Total energy: -23.980358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.980358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.980358 (E_RNA) where: Base-Base interactions energy: -4.945 where: short stacking energy: -4.945 Base-Backbone interact. energy: -0.071 local terms energy: -18.964612 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -4.942 flat angles C4'-P-C4' energy: -2.735 flat angles P-C4'-P energy: -3.791 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: 3 ===================================== Write number: 32 Temperature: 1.350000 Total energy: -25.761093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.761093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.761093 (E_RNA) where: Base-Base interactions energy: -4.459 where: short stacking energy: -4.459 Base-Backbone interact. energy: -0.053 local terms energy: -21.249193 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -5.591 flat angles P-C4'-P energy: -3.776 tors. eta vs tors. theta energy: -1.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 33 Temperature: 0.900000 Total energy: -31.200317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.200317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.200317 (E_RNA) where: Base-Base interactions energy: -11.503 where: short stacking energy: -11.503 Base-Backbone interact. energy: -0.001 local terms energy: -19.697201 where: bonds (distance) C4'-P energy: -3.900 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -2.943 flat angles P-C4'-P energy: -4.094 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: 2, replica: 8 ===================================== Write number: 33 Temperature: 0.950000 Total energy: -32.215520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.215520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.215520 (E_RNA) where: Base-Base interactions energy: -10.625 where: short stacking energy: -10.625 Base-Backbone interact. energy: -0.001 local terms energy: -21.589817 where: bonds (distance) C4'-P energy: -5.089 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -5.323 flat angles P-C4'-P energy: -2.146 tors. eta vs tors. theta energy: -3.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 33 Temperature: 1.000000 Total energy: -29.159569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.159569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.159569 (E_RNA) where: Base-Base interactions energy: -10.239 where: short stacking energy: -10.239 Base-Backbone interact. energy: -0.000 local terms energy: -18.920264 where: bonds (distance) C4'-P energy: -4.281 bonds (distance) P-C4' energy: -4.702 flat angles C4'-P-C4' energy: -5.227 flat angles P-C4'-P energy: -1.597 tors. eta vs tors. theta energy: -3.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 33 Temperature: 1.050000 Total energy: -31.012045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.012045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.012045 (E_RNA) where: Base-Base interactions energy: -10.711 where: short stacking energy: -10.711 Base-Backbone interact. energy: -0.056 local terms energy: -20.245064 where: bonds (distance) C4'-P energy: -4.628 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -3.142 flat angles P-C4'-P energy: -2.607 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: 5, replica: 2 ===================================== Write number: 33 Temperature: 1.100000 Total energy: -33.081525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.081525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.081525 (E_RNA) where: Base-Base interactions energy: -14.278 where: short stacking energy: -14.278 Base-Backbone interact. energy: -0.000 local terms energy: -18.803897 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -2.920 flat angles C4'-P-C4' energy: -2.440 flat angles P-C4'-P energy: -3.949 tors. eta vs tors. theta energy: -4.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 33 Temperature: 1.150000 Total energy: -30.102803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.102803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.102803 (E_RNA) where: Base-Base interactions energy: -11.608 where: short stacking energy: -11.608 Base-Backbone interact. energy: -0.000 local terms energy: -18.494400 where: bonds (distance) C4'-P energy: -4.413 bonds (distance) P-C4' energy: -4.381 flat angles C4'-P-C4' energy: -5.296 flat angles P-C4'-P energy: -3.045 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: 7, replica: 9 ===================================== Write number: 33 Temperature: 1.200000 Total energy: -27.908639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.908639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.908639 (E_RNA) where: Base-Base interactions energy: -13.955 where: short stacking energy: -13.955 Base-Backbone interact. energy: -0.001 local terms energy: -13.952759 where: bonds (distance) C4'-P energy: -4.307 bonds (distance) P-C4' energy: -3.075 flat angles C4'-P-C4' energy: -2.847 flat angles P-C4'-P energy: -2.073 tors. eta vs tors. theta energy: -1.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 33 Temperature: 1.250000 Total energy: -23.889112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.889112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.889112 (E_RNA) where: Base-Base interactions energy: -5.476 where: short stacking energy: -5.476 Base-Backbone interact. energy: -0.093 local terms energy: -18.319791 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -3.873 flat angles P-C4'-P energy: -1.949 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: 5 ===================================== Write number: 33 Temperature: 1.300000 Total energy: -27.341967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.341967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.341967 (E_RNA) where: Base-Base interactions energy: -8.813 where: short stacking energy: -5.639 Base-Backbone interact. energy: -0.002 local terms energy: -18.526972 where: bonds (distance) C4'-P energy: -4.663 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -4.475 flat angles P-C4'-P energy: -2.269 tors. eta vs tors. theta energy: -2.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 33 Temperature: 1.350000 Total energy: -24.158778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.158778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.158778 (E_RNA) where: Base-Base interactions energy: -9.030 where: short stacking energy: -9.030 Base-Backbone interact. energy: -0.063 local terms energy: -15.065787 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -3.847 flat angles C4'-P-C4' energy: -3.744 flat angles P-C4'-P energy: -1.333 tors. eta vs tors. theta energy: -1.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 34 Temperature: 0.900000 Total energy: -36.315102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.315102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.315102 (E_RNA) where: Base-Base interactions energy: -17.137 where: short stacking energy: -17.137 Base-Backbone interact. energy: -0.002 local terms energy: -19.175689 where: bonds (distance) C4'-P energy: -2.504 bonds (distance) P-C4' energy: -4.480 flat angles C4'-P-C4' energy: -5.801 flat angles P-C4'-P energy: -2.395 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: 2, replica: 7 ===================================== Write number: 34 Temperature: 0.950000 Total energy: -34.072519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.072519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.072519 (E_RNA) where: Base-Base interactions energy: -10.173 where: short stacking energy: -10.173 Base-Backbone interact. energy: -0.000 local terms energy: -23.899747 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -5.026 flat angles P-C4'-P energy: -2.616 tors. eta vs tors. theta energy: -5.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 34 Temperature: 1.000000 Total energy: -34.473296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.473296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.473296 (E_RNA) where: Base-Base interactions energy: -14.340 where: short stacking energy: -14.340 Base-Backbone interact. energy: -0.000 local terms energy: -20.133459 where: bonds (distance) C4'-P energy: -4.865 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.622 flat angles P-C4'-P energy: -1.701 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: 4, replica: 1 ===================================== Write number: 34 Temperature: 1.050000 Total energy: -30.210966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.210966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.210966 (E_RNA) where: Base-Base interactions energy: -12.525 where: short stacking energy: -12.525 Base-Backbone interact. energy: -0.107 local terms energy: -17.578801 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -4.452 flat angles C4'-P-C4' energy: -4.691 flat angles P-C4'-P energy: -2.906 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: 5, replica: 6 ===================================== Write number: 34 Temperature: 1.100000 Total energy: -29.857225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.857225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.857225 (E_RNA) where: Base-Base interactions energy: -11.182 where: short stacking energy: -11.182 Base-Backbone interact. energy: -0.000 local terms energy: -18.674514 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -4.476 flat angles C4'-P-C4' energy: -4.556 flat angles P-C4'-P energy: -2.300 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: 6, replica: 2 ===================================== Write number: 34 Temperature: 1.150000 Total energy: -28.550160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.550160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.550160 (E_RNA) where: Base-Base interactions energy: -9.235 where: short stacking energy: -9.354 Base-Backbone interact. energy: -0.000 local terms energy: -19.314828 where: bonds (distance) C4'-P energy: -5.304 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -5.049 flat angles P-C4'-P energy: -1.195 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: 7, replica: 10 ===================================== Write number: 34 Temperature: 1.200000 Total energy: -28.802536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.802536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.802536 (E_RNA) where: Base-Base interactions energy: -7.444 where: short stacking energy: -7.444 Base-Backbone interact. energy: -0.000 local terms energy: -21.358873 where: bonds (distance) C4'-P energy: -3.002 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.274 flat angles P-C4'-P energy: -4.200 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: 8, replica: 9 ===================================== Write number: 34 Temperature: 1.250000 Total energy: -23.764224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.764224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.764224 (E_RNA) where: Base-Base interactions energy: -4.036 where: short stacking energy: -4.036 Base-Backbone interact. energy: -0.018 local terms energy: -19.710711 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -5.067 flat angles P-C4'-P energy: -3.587 tors. eta vs tors. theta energy: 0.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 34 Temperature: 1.300000 Total energy: -24.865668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.865668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.865668 (E_RNA) where: Base-Base interactions energy: -6.757 where: short stacking energy: -6.844 Base-Backbone interact. energy: -0.110 local terms energy: -17.998667 where: bonds (distance) C4'-P energy: -5.498 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -2.356 flat angles P-C4'-P energy: -2.779 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: 5 ===================================== Write number: 34 Temperature: 1.350000 Total energy: -23.730054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.730054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.730054 (E_RNA) where: Base-Base interactions energy: -6.426 where: short stacking energy: -6.426 Base-Backbone interact. energy: -0.043 local terms energy: -17.261703 where: bonds (distance) C4'-P energy: -4.240 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.945 flat angles P-C4'-P energy: -1.509 tors. eta vs tors. theta energy: -0.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 35 Temperature: 0.900000 Total energy: -35.202010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.202010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.202010 (E_RNA) where: Base-Base interactions energy: -10.365 where: short stacking energy: -10.365 Base-Backbone interact. energy: -0.000 local terms energy: -24.836752 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.256 flat angles P-C4'-P energy: -4.184 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: 2, replica: 4 ===================================== Write number: 35 Temperature: 0.950000 Total energy: -31.329902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.329902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.329902 (E_RNA) where: Base-Base interactions energy: -10.515 where: short stacking energy: -10.515 Base-Backbone interact. energy: -0.093 local terms energy: -20.722622 where: bonds (distance) C4'-P energy: -3.482 bonds (distance) P-C4' energy: -4.550 flat angles C4'-P-C4' energy: -4.658 flat angles P-C4'-P energy: -4.371 tors. eta vs tors. theta energy: -3.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 35 Temperature: 1.000000 Total energy: -37.171773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.171773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.171773 (E_RNA) where: Base-Base interactions energy: -14.580 where: short stacking energy: -14.580 Base-Backbone interact. energy: -0.020 local terms energy: -22.571158 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.078 flat angles C4'-P-C4' energy: -4.954 flat angles P-C4'-P energy: -4.444 tors. eta vs tors. theta energy: -3.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 35 Temperature: 1.050000 Total energy: -25.692565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.692565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.692565 (E_RNA) where: Base-Base interactions energy: -8.144 where: short stacking energy: -8.144 Base-Backbone interact. energy: -0.177 local terms energy: -17.370766 where: bonds (distance) C4'-P energy: -4.628 bonds (distance) P-C4' energy: -4.709 flat angles C4'-P-C4' energy: -5.157 flat angles P-C4'-P energy: -3.109 tors. eta vs tors. theta energy: 0.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 35 Temperature: 1.100000 Total energy: -28.734853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.734853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.734853 (E_RNA) where: Base-Base interactions energy: -8.926 where: short stacking energy: -8.926 Base-Backbone interact. energy: -0.011 local terms energy: -19.798092 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.535 flat angles P-C4'-P energy: -2.640 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: 6, replica: 10 ===================================== Write number: 35 Temperature: 1.150000 Total energy: -33.072784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.072784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.072784 (E_RNA) where: Base-Base interactions energy: -12.511 where: short stacking energy: -12.511 Base-Backbone interact. energy: -0.000 local terms energy: -20.561580 where: bonds (distance) C4'-P energy: -3.536 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -5.551 flat angles P-C4'-P energy: -3.005 tors. eta vs tors. theta energy: -2.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 35 Temperature: 1.200000 Total energy: -28.960363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.960363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.960363 (E_RNA) where: Base-Base interactions energy: -13.176 where: short stacking energy: -13.176 Base-Backbone interact. energy: -0.324 local terms energy: -15.459587 where: bonds (distance) C4'-P energy: -4.199 bonds (distance) P-C4' energy: -4.681 flat angles C4'-P-C4' energy: -5.319 flat angles P-C4'-P energy: 1.949 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: 8, replica: 3 ===================================== Write number: 35 Temperature: 1.250000 Total energy: -24.886925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.886925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.886925 (E_RNA) where: Base-Base interactions energy: -7.613 where: short stacking energy: -7.813 Base-Backbone interact. energy: -0.122 local terms energy: -17.151805 where: bonds (distance) C4'-P energy: -4.289 bonds (distance) P-C4' energy: -5.305 flat angles C4'-P-C4' energy: -5.572 flat angles P-C4'-P energy: -1.495 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: 9, replica: 9 ===================================== Write number: 35 Temperature: 1.300000 Total energy: -26.158973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.158973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.158973 (E_RNA) where: Base-Base interactions energy: -8.423 where: short stacking energy: -8.423 Base-Backbone interact. energy: -0.053 local terms energy: -17.683610 where: bonds (distance) C4'-P energy: -2.994 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -3.798 flat angles P-C4'-P energy: -1.330 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: 10, replica: 5 ===================================== Write number: 35 Temperature: 1.350000 Total energy: -25.040016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.040016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.040016 (E_RNA) where: Base-Base interactions energy: -10.206 where: short stacking energy: -10.206 Base-Backbone interact. energy: -0.084 local terms energy: -14.750026 where: bonds (distance) C4'-P energy: -1.718 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -5.363 flat angles P-C4'-P energy: -2.008 tors. eta vs tors. theta energy: 0.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 36 Temperature: 0.900000 Total energy: -38.769743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.769743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.769743 (E_RNA) where: Base-Base interactions energy: -16.502 where: short stacking energy: -16.502 Base-Backbone interact. energy: -0.000 local terms energy: -22.267759 where: bonds (distance) C4'-P energy: -4.421 bonds (distance) P-C4' energy: -4.022 flat angles C4'-P-C4' energy: -4.940 flat angles P-C4'-P energy: -2.809 tors. eta vs tors. theta energy: -6.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 36 Temperature: 0.950000 Total energy: -36.568413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.568413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.568413 (E_RNA) where: Base-Base interactions energy: -12.011 where: short stacking energy: -12.011 Base-Backbone interact. energy: -0.000 local terms energy: -24.557670 where: bonds (distance) C4'-P energy: -4.306 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -4.565 flat angles P-C4'-P energy: -4.450 tors. eta vs tors. theta energy: -5.908 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: 6 ===================================== Write number: 36 Temperature: 1.000000 Total energy: -30.072658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.072658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.072658 (E_RNA) where: Base-Base interactions energy: -7.889 where: short stacking energy: -7.889 Base-Backbone interact. energy: -0.159 local terms energy: -22.023909 where: bonds (distance) C4'-P energy: -4.725 bonds (distance) P-C4' energy: -4.702 flat angles C4'-P-C4' energy: -5.379 flat angles P-C4'-P energy: -4.569 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: 4, replica: 7 ===================================== Write number: 36 Temperature: 1.050000 Total energy: -29.601911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.601911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.601911 (E_RNA) where: Base-Base interactions energy: -10.742 where: short stacking energy: -10.742 Base-Backbone interact. energy: -0.014 local terms energy: -18.846123 where: bonds (distance) C4'-P energy: -4.413 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -2.540 flat angles P-C4'-P energy: -4.572 tors. eta vs tors. theta energy: -1.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 36 Temperature: 1.100000 Total energy: -32.203971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.203971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.203971 (E_RNA) where: Base-Base interactions energy: -11.987 where: short stacking energy: -11.987 Base-Backbone interact. energy: -0.000 local terms energy: -20.216903 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -4.675 flat angles C4'-P-C4' energy: -4.338 flat angles P-C4'-P energy: -4.549 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: 1 ===================================== Write number: 36 Temperature: 1.150000 Total energy: -29.239710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.239710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.239710 (E_RNA) where: Base-Base interactions energy: -11.231 where: short stacking energy: -11.231 Base-Backbone interact. energy: -0.001 local terms energy: -18.007887 where: bonds (distance) C4'-P energy: -3.884 bonds (distance) P-C4' energy: -3.987 flat angles C4'-P-C4' energy: -3.526 flat angles P-C4'-P energy: -3.396 tors. eta vs tors. theta energy: -3.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 36 Temperature: 1.200000 Total energy: -30.197069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.197069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.197069 (E_RNA) where: Base-Base interactions energy: -12.427 where: short stacking energy: -12.427 Base-Backbone interact. energy: -0.063 local terms energy: -17.707148 where: bonds (distance) C4'-P energy: -3.676 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -3.833 flat angles P-C4'-P energy: -3.259 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: 8, replica: 2 ===================================== Write number: 36 Temperature: 1.250000 Total energy: -28.381039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.381039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.381039 (E_RNA) where: Base-Base interactions energy: -9.342 where: short stacking energy: -9.342 Base-Backbone interact. energy: -0.000 local terms energy: -19.038414 where: bonds (distance) C4'-P energy: -3.669 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.640 flat angles P-C4'-P energy: -4.183 tors. eta vs tors. theta energy: -1.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 36 Temperature: 1.300000 Total energy: -26.275333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.275333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.275333 (E_RNA) where: Base-Base interactions energy: -12.641 where: short stacking energy: -12.641 Base-Backbone interact. energy: -0.000 local terms energy: -13.634048 where: bonds (distance) C4'-P energy: -2.783 bonds (distance) P-C4' energy: -0.941 flat angles C4'-P-C4' energy: -4.928 flat angles P-C4'-P energy: -2.794 tors. eta vs tors. theta energy: -2.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 36 Temperature: 1.350000 Total energy: -27.833279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.833279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.833279 (E_RNA) where: Base-Base interactions energy: -6.389 where: short stacking energy: -6.389 Base-Backbone interact. energy: -0.001 local terms energy: -21.443415 where: bonds (distance) C4'-P energy: -4.485 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.593 flat angles P-C4'-P energy: -4.221 tors. eta vs tors. theta energy: -1.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 37 Temperature: 0.900000 Total energy: -40.582947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.582947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.582947 (E_RNA) where: Base-Base interactions energy: -16.535 where: short stacking energy: -16.535 Base-Backbone interact. energy: -0.000 local terms energy: -24.047824 where: bonds (distance) C4'-P energy: -4.132 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -5.298 flat angles P-C4'-P energy: -3.363 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: 8 ===================================== Write number: 37 Temperature: 0.950000 Total energy: -36.494216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.494216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.494216 (E_RNA) where: Base-Base interactions energy: -12.521 where: short stacking energy: -12.521 Base-Backbone interact. energy: -0.013 local terms energy: -23.960057 where: bonds (distance) C4'-P energy: -4.981 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -5.202 flat angles P-C4'-P energy: -4.056 tors. eta vs tors. theta energy: -4.628 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: 6 ===================================== Write number: 37 Temperature: 1.000000 Total energy: -30.909307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.909307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.909307 (E_RNA) where: Base-Base interactions energy: -10.736 where: short stacking energy: -10.736 Base-Backbone interact. energy: -0.010 local terms energy: -20.162620 where: bonds (distance) C4'-P energy: -4.111 bonds (distance) P-C4' energy: -5.516 flat angles C4'-P-C4' energy: -5.027 flat angles P-C4'-P energy: -4.028 tors. eta vs tors. theta energy: -1.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 37 Temperature: 1.050000 Total energy: -28.736006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.736006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.736006 (E_RNA) where: Base-Base interactions energy: -10.296 where: short stacking energy: -10.296 Base-Backbone interact. energy: -0.000 local terms energy: -18.439742 where: bonds (distance) C4'-P energy: -4.245 bonds (distance) P-C4' energy: -5.522 flat angles C4'-P-C4' energy: -3.201 flat angles P-C4'-P energy: -3.105 tors. eta vs tors. theta energy: -2.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 37 Temperature: 1.100000 Total energy: -31.030583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.030583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.030583 (E_RNA) where: Base-Base interactions energy: -10.652 where: short stacking energy: -10.652 Base-Backbone interact. energy: -0.099 local terms energy: -20.280014 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -4.190 flat angles C4'-P-C4' energy: -4.285 flat angles P-C4'-P energy: -3.853 tors. eta vs tors. theta energy: -2.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 37 Temperature: 1.150000 Total energy: -28.049709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.049709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.049709 (E_RNA) where: Base-Base interactions energy: -7.579 where: short stacking energy: -7.579 Base-Backbone interact. energy: -0.023 local terms energy: -20.447711 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -3.514 flat angles P-C4'-P energy: -4.009 tors. eta vs tors. theta energy: -1.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 37 Temperature: 1.200000 Total energy: -28.228016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.228016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.228016 (E_RNA) where: Base-Base interactions energy: -9.033 where: short stacking energy: -9.033 Base-Backbone interact. energy: -0.005 local terms energy: -19.190224 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -4.522 flat angles C4'-P-C4' energy: -4.647 flat angles P-C4'-P energy: -3.983 tors. eta vs tors. theta energy: -1.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 37 Temperature: 1.250000 Total energy: -24.928735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.928735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.928735 (E_RNA) where: Base-Base interactions energy: -3.751 where: short stacking energy: -3.751 Base-Backbone interact. energy: -0.000 local terms energy: -21.177825 where: bonds (distance) C4'-P energy: -4.016 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -4.768 flat angles P-C4'-P energy: -2.937 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: 9, replica: 2 ===================================== Write number: 37 Temperature: 1.300000 Total energy: -28.303984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.303984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.303984 (E_RNA) where: Base-Base interactions energy: -7.767 where: short stacking energy: -7.867 Base-Backbone interact. energy: -0.102 local terms energy: -20.435323 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.081 flat angles P-C4'-P energy: -4.273 tors. eta vs tors. theta energy: -0.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 37 Temperature: 1.350000 Total energy: -24.018479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.018479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.018479 (E_RNA) where: Base-Base interactions energy: -3.577 where: short stacking energy: -3.577 Base-Backbone interact. energy: -0.101 local terms energy: -20.340493 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.344 flat angles P-C4'-P energy: -4.043 tors. eta vs tors. theta energy: -0.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 38 Temperature: 0.900000 Total energy: -38.830709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.830709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.830709 (E_RNA) where: Base-Base interactions energy: -15.706 where: short stacking energy: -15.706 Base-Backbone interact. energy: -0.000 local terms energy: -23.124279 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -4.442 flat angles C4'-P-C4' energy: -4.850 flat angles P-C4'-P energy: -4.265 tors. eta vs tors. theta energy: -4.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 38 Temperature: 0.950000 Total energy: -34.771575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.771575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.771575 (E_RNA) where: Base-Base interactions energy: -13.189 where: short stacking energy: -13.189 Base-Backbone interact. energy: -0.000 local terms energy: -21.582267 where: bonds (distance) C4'-P energy: -4.199 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -3.780 flat angles P-C4'-P energy: -4.074 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: 38 Temperature: 1.000000 Total energy: -34.881565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.881565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.881565 (E_RNA) where: Base-Base interactions energy: -13.014 where: short stacking energy: -13.014 Base-Backbone interact. energy: -0.004 local terms energy: -21.863661 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -5.291 flat angles P-C4'-P energy: -2.778 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: 6 ===================================== Write number: 38 Temperature: 1.050000 Total energy: -27.175841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.175841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.175841 (E_RNA) where: Base-Base interactions energy: -8.062 where: short stacking energy: -8.062 Base-Backbone interact. energy: -0.000 local terms energy: -19.113830 where: bonds (distance) C4'-P energy: -4.111 bonds (distance) P-C4' energy: -4.969 flat angles C4'-P-C4' energy: -5.416 flat angles P-C4'-P energy: -3.353 tors. eta vs tors. theta energy: -1.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 38 Temperature: 1.100000 Total energy: -34.115355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.115355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.115355 (E_RNA) where: Base-Base interactions energy: -10.667 where: short stacking energy: -10.667 Base-Backbone interact. energy: -0.014 local terms energy: -23.434516 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.554 flat angles P-C4'-P energy: -3.416 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: 6, replica: 7 ===================================== Write number: 38 Temperature: 1.150000 Total energy: -29.635410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.635410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.635410 (E_RNA) where: Base-Base interactions energy: -10.800 where: short stacking energy: -10.800 Base-Backbone interact. energy: -0.005 local terms energy: -18.830725 where: bonds (distance) C4'-P energy: -3.452 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -2.064 flat angles P-C4'-P energy: -3.468 tors. eta vs tors. theta energy: -3.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 38 Temperature: 1.200000 Total energy: -31.822306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.822306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.822306 (E_RNA) where: Base-Base interactions energy: -11.318 where: short stacking energy: -11.318 Base-Backbone interact. energy: -0.000 local terms energy: -20.504532 where: bonds (distance) C4'-P energy: -2.435 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.776 flat angles P-C4'-P energy: -0.839 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: 8, replica: 1 ===================================== Write number: 38 Temperature: 1.250000 Total energy: -29.693205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.693205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.693205 (E_RNA) where: Base-Base interactions energy: -9.453 where: short stacking energy: -9.453 Base-Backbone interact. energy: -0.017 local terms energy: -20.223034 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.363 flat angles P-C4'-P energy: -3.075 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: 9, replica: 2 ===================================== Write number: 38 Temperature: 1.300000 Total energy: -29.004856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.004856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.004856 (E_RNA) where: Base-Base interactions energy: -10.710 where: short stacking energy: -10.710 Base-Backbone interact. energy: -0.000 local terms energy: -18.294725 where: bonds (distance) C4'-P energy: -3.420 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -3.906 flat angles P-C4'-P energy: -3.609 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: 10, replica: 9 ===================================== Write number: 38 Temperature: 1.350000 Total energy: -24.240399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.240399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.240399 (E_RNA) where: Base-Base interactions energy: -8.139 where: short stacking energy: -8.139 Base-Backbone interact. energy: -0.101 local terms energy: -16.000318 where: bonds (distance) C4'-P energy: -4.199 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -3.086 flat angles P-C4'-P energy: -3.268 tors. eta vs tors. theta energy: 0.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 39 Temperature: 0.900000 Total energy: -37.347068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.347068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.347068 (E_RNA) where: Base-Base interactions energy: -16.447 where: short stacking energy: -16.447 Base-Backbone interact. energy: -0.000 local terms energy: -20.900301 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -4.623 flat angles P-C4'-P energy: -3.377 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: 2, replica: 10 ===================================== Write number: 39 Temperature: 0.950000 Total energy: -35.526291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.526291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.526291 (E_RNA) where: Base-Base interactions energy: -12.903 where: short stacking energy: -12.903 Base-Backbone interact. energy: -0.000 local terms energy: -22.622975 where: bonds (distance) C4'-P energy: -4.191 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -4.251 flat angles P-C4'-P energy: -3.896 tors. eta vs tors. theta energy: -4.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 39 Temperature: 1.000000 Total energy: -32.862643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.862643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.862643 (E_RNA) where: Base-Base interactions energy: -9.959 where: short stacking energy: -9.959 Base-Backbone interact. energy: 0.192 local terms energy: -23.096138 where: bonds (distance) C4'-P energy: -4.273 bonds (distance) P-C4' energy: -5.724 flat angles C4'-P-C4' energy: -4.111 flat angles P-C4'-P energy: -4.957 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: 4, replica: 3 ===================================== Write number: 39 Temperature: 1.050000 Total energy: -29.865535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.865535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.865535 (E_RNA) where: Base-Base interactions energy: -10.150 where: short stacking energy: -10.150 Base-Backbone interact. energy: -0.000 local terms energy: -19.715346 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -4.449 flat angles C4'-P-C4' energy: -5.735 flat angles P-C4'-P energy: -1.837 tors. eta vs tors. theta energy: -3.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 39 Temperature: 1.100000 Total energy: -31.505930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.505930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.505930 (E_RNA) where: Base-Base interactions energy: -11.451 where: short stacking energy: -11.451 Base-Backbone interact. energy: -0.001 local terms energy: -20.054457 where: bonds (distance) C4'-P energy: -3.570 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -4.320 flat angles P-C4'-P energy: -3.679 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: 6, replica: 5 ===================================== Write number: 39 Temperature: 1.150000 Total energy: -31.336293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.336293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.336293 (E_RNA) where: Base-Base interactions energy: -13.577 where: short stacking energy: -13.577 Base-Backbone interact. energy: -0.000 local terms energy: -17.759050 where: bonds (distance) C4'-P energy: -4.120 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -4.285 flat angles P-C4'-P energy: -0.977 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: 7, replica: 7 ===================================== Write number: 39 Temperature: 1.200000 Total energy: -25.313742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.313742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.313742 (E_RNA) where: Base-Base interactions energy: -9.162 where: short stacking energy: -9.162 Base-Backbone interact. energy: -0.012 local terms energy: -16.139640 where: bonds (distance) C4'-P energy: -3.591 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -2.694 flat angles P-C4'-P energy: -3.841 tors. eta vs tors. theta energy: -0.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 39 Temperature: 1.250000 Total energy: -28.858468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.858468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.858468 (E_RNA) where: Base-Base interactions energy: -10.908 where: short stacking energy: -10.908 Base-Backbone interact. energy: -0.000 local terms energy: -17.950249 where: bonds (distance) C4'-P energy: -4.778 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -3.660 flat angles P-C4'-P energy: -0.504 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: 9, replica: 1 ===================================== Write number: 39 Temperature: 1.300000 Total energy: -23.567964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.567964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.567964 (E_RNA) where: Base-Base interactions energy: -6.536 where: short stacking energy: -6.764 Base-Backbone interact. energy: -0.058 local terms energy: -16.973548 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -4.860 flat angles C4'-P-C4' energy: -3.694 flat angles P-C4'-P energy: -3.244 tors. eta vs tors. theta energy: -0.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 39 Temperature: 1.350000 Total energy: -21.634677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.634677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.634677 (E_RNA) where: Base-Base interactions energy: -6.169 where: short stacking energy: -6.169 Base-Backbone interact. energy: -0.514 local terms energy: -14.951150 where: bonds (distance) C4'-P energy: -2.054 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -4.997 flat angles P-C4'-P energy: -2.020 tors. eta vs tors. theta energy: -0.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 40 Temperature: 0.900000 Total energy: -29.322744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.322744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.322744 (E_RNA) where: Base-Base interactions energy: -6.473 where: short stacking energy: -6.473 Base-Backbone interact. energy: -0.001 local terms energy: -22.849245 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -5.798 flat angles P-C4'-P energy: -3.623 tors. eta vs tors. theta energy: -2.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 40 Temperature: 0.950000 Total energy: -32.513400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.513400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.513400 (E_RNA) where: Base-Base interactions energy: -11.130 where: short stacking energy: -11.130 Base-Backbone interact. energy: -0.007 local terms energy: -21.376589 where: bonds (distance) C4'-P energy: -4.485 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -3.899 flat angles P-C4'-P energy: -4.388 tors. eta vs tors. theta energy: -2.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 40 Temperature: 1.000000 Total energy: -36.023982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.023982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.023982 (E_RNA) where: Base-Base interactions energy: -11.909 where: short stacking energy: -11.909 Base-Backbone interact. energy: -0.000 local terms energy: -24.114718 where: bonds (distance) C4'-P energy: -3.979 bonds (distance) P-C4' energy: -6.020 flat angles C4'-P-C4' energy: -4.458 flat angles P-C4'-P energy: -4.314 tors. eta vs tors. theta energy: -5.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 40 Temperature: 1.050000 Total energy: -30.145025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.145025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.145025 (E_RNA) where: Base-Base interactions energy: -7.313 where: short stacking energy: -7.313 Base-Backbone interact. energy: -0.000 local terms energy: -22.831696 where: bonds (distance) C4'-P energy: -4.529 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -4.532 flat angles P-C4'-P energy: -4.066 tors. eta vs tors. theta energy: -3.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 40 Temperature: 1.100000 Total energy: -30.929634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.929634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.929634 (E_RNA) where: Base-Base interactions energy: -11.924 where: short stacking energy: -11.924 Base-Backbone interact. energy: -0.001 local terms energy: -19.004896 where: bonds (distance) C4'-P energy: -3.891 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.712 flat angles P-C4'-P energy: -2.876 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: 6, replica: 6 ===================================== Write number: 40 Temperature: 1.150000 Total energy: -27.130566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.130566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.130566 (E_RNA) where: Base-Base interactions energy: -7.271 where: short stacking energy: -7.271 Base-Backbone interact. energy: -0.000 local terms energy: -19.860004 where: bonds (distance) C4'-P energy: -2.762 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.073 flat angles P-C4'-P energy: -3.910 tors. eta vs tors. theta energy: -1.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 40 Temperature: 1.200000 Total energy: -29.866363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.866363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.866363 (E_RNA) where: Base-Base interactions energy: -8.528 where: short stacking energy: -8.528 Base-Backbone interact. energy: -0.000 local terms energy: -21.338744 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -4.860 flat angles C4'-P-C4' energy: -5.133 flat angles P-C4'-P energy: -3.501 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: 8, replica: 7 ===================================== Write number: 40 Temperature: 1.250000 Total energy: -26.177990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.177990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.177990 (E_RNA) where: Base-Base interactions energy: -7.576 where: short stacking energy: -7.576 Base-Backbone interact. energy: -0.014 local terms energy: -18.588304 where: bonds (distance) C4'-P energy: -4.062 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -4.494 flat angles P-C4'-P energy: -3.253 tors. eta vs tors. theta energy: -1.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 40 Temperature: 1.300000 Total energy: -26.412631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.412631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.412631 (E_RNA) where: Base-Base interactions energy: -7.999 where: short stacking energy: -7.999 Base-Backbone interact. energy: -0.002 local terms energy: -18.411798 where: bonds (distance) C4'-P energy: -4.405 bonds (distance) P-C4' energy: -4.160 flat angles C4'-P-C4' energy: -5.351 flat angles P-C4'-P energy: -2.543 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: 10, replica: 1 ===================================== Write number: 40 Temperature: 1.350000 Total energy: -27.351441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.351441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.351441 (E_RNA) where: Base-Base interactions energy: -7.332 where: short stacking energy: -7.332 Base-Backbone interact. energy: -0.000 local terms energy: -20.019178 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.140 flat angles P-C4'-P energy: -3.169 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: 1, replica: 10 ===================================== Write number: 41 Temperature: 0.900000 Total energy: -30.800782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.800782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.800782 (E_RNA) where: Base-Base interactions energy: -10.308 where: short stacking energy: -10.308 Base-Backbone interact. energy: -0.000 local terms energy: -20.492999 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -4.323 flat angles P-C4'-P energy: -3.452 tors. eta vs tors. theta energy: -2.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 41 Temperature: 0.950000 Total energy: -33.526388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.526388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.526388 (E_RNA) where: Base-Base interactions energy: -12.370 where: short stacking energy: -12.370 Base-Backbone interact. energy: -0.000 local terms energy: -21.156181 where: bonds (distance) C4'-P energy: -5.188 bonds (distance) P-C4' energy: -5.540 flat angles C4'-P-C4' energy: -5.435 flat angles P-C4'-P energy: -1.545 tors. eta vs tors. theta energy: -3.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 41 Temperature: 1.000000 Total energy: -29.937376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.937376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.937376 (E_RNA) where: Base-Base interactions energy: -11.858 where: short stacking energy: -11.858 Base-Backbone interact. energy: -0.000 local terms energy: -18.078713 where: bonds (distance) C4'-P energy: -4.413 bonds (distance) P-C4' energy: -4.152 flat angles C4'-P-C4' energy: -4.076 flat angles P-C4'-P energy: -2.702 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: 4, replica: 5 ===================================== Write number: 41 Temperature: 1.050000 Total energy: -28.949776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.949776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.949776 (E_RNA) where: Base-Base interactions energy: -11.252 where: short stacking energy: -11.252 Base-Backbone interact. energy: -0.008 local terms energy: -17.689656 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -4.219 flat angles C4'-P-C4' energy: -4.888 flat angles P-C4'-P energy: -2.131 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: 5, replica: 4 ===================================== Write number: 41 Temperature: 1.100000 Total energy: -28.151694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.151694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.151694 (E_RNA) where: Base-Base interactions energy: -8.087 where: short stacking energy: -8.087 Base-Backbone interact. energy: -0.034 local terms energy: -20.030893 where: bonds (distance) C4'-P energy: -5.089 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -5.141 flat angles P-C4'-P energy: -1.950 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: 6, replica: 6 ===================================== Write number: 41 Temperature: 1.150000 Total energy: -28.017935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.017935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.017935 (E_RNA) where: Base-Base interactions energy: -11.645 where: short stacking energy: -11.645 Base-Backbone interact. energy: -0.000 local terms energy: -16.372870 where: bonds (distance) C4'-P energy: -3.652 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -1.362 flat angles P-C4'-P energy: -1.870 tors. eta vs tors. theta energy: -3.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 41 Temperature: 1.200000 Total energy: -29.445935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.445935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.445935 (E_RNA) where: Base-Base interactions energy: -11.082 where: short stacking energy: -11.082 Base-Backbone interact. energy: -0.006 local terms energy: -18.357157 where: bonds (distance) C4'-P energy: -4.049 bonds (distance) P-C4' energy: -5.072 flat angles C4'-P-C4' energy: -5.007 flat angles P-C4'-P energy: -2.605 tors. eta vs tors. theta energy: -1.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 41 Temperature: 1.250000 Total energy: -24.667356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.667356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.667356 (E_RNA) where: Base-Base interactions energy: -9.828 where: short stacking energy: -9.828 Base-Backbone interact. energy: -0.001 local terms energy: -14.838136 where: bonds (distance) C4'-P energy: -4.025 bonds (distance) P-C4' energy: -4.935 flat angles C4'-P-C4' energy: -2.656 flat angles P-C4'-P energy: 0.019 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: 9, replica: 7 ===================================== Write number: 41 Temperature: 1.300000 Total energy: -28.121230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.121230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.121230 (E_RNA) where: Base-Base interactions energy: -11.009 where: short stacking energy: -11.009 Base-Backbone interact. energy: -0.016 local terms energy: -17.095617 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -4.875 flat angles C4'-P-C4' energy: -5.006 flat angles P-C4'-P energy: -1.308 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: 10, replica: 1 ===================================== Write number: 41 Temperature: 1.350000 Total energy: -24.812731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.812731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.812731 (E_RNA) where: Base-Base interactions energy: -5.460 where: short stacking energy: -5.460 Base-Backbone interact. energy: -0.002 local terms energy: -19.351096 where: bonds (distance) C4'-P energy: -5.089 bonds (distance) P-C4' energy: -4.875 flat angles C4'-P-C4' energy: -5.608 flat angles P-C4'-P energy: -2.468 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: 1, replica: 3 ===================================== Write number: 42 Temperature: 0.900000 Total energy: -35.634804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.634804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.634804 (E_RNA) where: Base-Base interactions energy: -13.888 where: short stacking energy: -13.888 Base-Backbone interact. energy: -0.000 local terms energy: -21.746547 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.240 flat angles P-C4'-P energy: -2.849 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: 10 ===================================== Write number: 42 Temperature: 0.950000 Total energy: -36.588441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.588441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.588441 (E_RNA) where: Base-Base interactions energy: -12.456 where: short stacking energy: -12.456 Base-Backbone interact. energy: -0.002 local terms energy: -24.130449 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -4.692 flat angles P-C4'-P energy: -3.657 tors. eta vs tors. theta energy: -4.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 42 Temperature: 1.000000 Total energy: -29.914060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.914060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.914060 (E_RNA) where: Base-Base interactions energy: -7.308 where: short stacking energy: -7.308 Base-Backbone interact. energy: -0.906 local terms energy: -21.700406 where: bonds (distance) C4'-P energy: -4.537 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -4.924 flat angles P-C4'-P energy: -3.981 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: 4, replica: 8 ===================================== Write number: 42 Temperature: 1.050000 Total energy: -32.917653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.917653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.917653 (E_RNA) where: Base-Base interactions energy: -12.168 where: short stacking energy: -12.168 Base-Backbone interact. energy: -0.000 local terms energy: -20.749063 where: bonds (distance) C4'-P energy: -4.911 bonds (distance) P-C4' energy: -4.807 flat angles C4'-P-C4' energy: -4.251 flat angles P-C4'-P energy: -2.767 tors. eta vs tors. theta energy: -4.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 42 Temperature: 1.100000 Total energy: -32.573425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.573425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.573425 (E_RNA) where: Base-Base interactions energy: -10.953 where: short stacking energy: -10.953 Base-Backbone interact. energy: -0.001 local terms energy: -21.619007 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.610 flat angles P-C4'-P energy: -3.386 tors. eta vs tors. theta energy: -2.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 42 Temperature: 1.150000 Total energy: -25.775312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.775312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.775312 (E_RNA) where: Base-Base interactions energy: -8.714 where: short stacking energy: -8.714 Base-Backbone interact. energy: 0.320 local terms energy: -17.381753 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -2.837 flat angles P-C4'-P energy: -3.229 tors. eta vs tors. theta energy: -0.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 42 Temperature: 1.200000 Total energy: -33.734791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.734791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.734791 (E_RNA) where: Base-Base interactions energy: -12.431 where: short stacking energy: -12.431 Base-Backbone interact. energy: -0.017 local terms energy: -21.286971 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -5.117 flat angles P-C4'-P energy: -0.836 tors. eta vs tors. theta energy: -4.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 42 Temperature: 1.250000 Total energy: -25.142139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.142139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.142139 (E_RNA) where: Base-Base interactions energy: -10.388 where: short stacking energy: -10.388 Base-Backbone interact. energy: -0.017 local terms energy: -14.736405 where: bonds (distance) C4'-P energy: -3.623 bonds (distance) P-C4' energy: -3.075 flat angles C4'-P-C4' energy: -2.059 flat angles P-C4'-P energy: -4.469 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: 9, replica: 1 ===================================== Write number: 42 Temperature: 1.300000 Total energy: -28.552433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.552433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.552433 (E_RNA) where: Base-Base interactions energy: -10.021 where: short stacking energy: -10.021 Base-Backbone interact. energy: -0.001 local terms energy: -18.530644 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -3.858 flat angles P-C4'-P energy: -2.437 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: 7 ===================================== Write number: 42 Temperature: 1.350000 Total energy: -22.942356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.942356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.942356 (E_RNA) where: Base-Base interactions energy: -3.688 where: short stacking energy: -3.688 Base-Backbone interact. energy: -0.036 local terms energy: -19.219104 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -4.532 flat angles P-C4'-P energy: -4.088 tors. eta vs tors. theta energy: -0.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 43 Temperature: 0.900000 Total energy: -35.682273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.682273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.682273 (E_RNA) where: Base-Base interactions energy: -14.459 where: short stacking energy: -14.459 Base-Backbone interact. energy: -0.006 local terms energy: -21.216928 where: bonds (distance) C4'-P energy: -3.925 bonds (distance) P-C4' energy: -5.491 flat angles C4'-P-C4' energy: -4.571 flat angles P-C4'-P energy: -3.619 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: 2, replica: 5 ===================================== Write number: 43 Temperature: 0.950000 Total energy: -35.373875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.373875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.373875 (E_RNA) where: Base-Base interactions energy: -10.798 where: short stacking energy: -10.798 Base-Backbone interact. energy: -0.002 local terms energy: -24.573903 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -4.877 flat angles P-C4'-P energy: -3.980 tors. eta vs tors. theta energy: -4.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 43 Temperature: 1.000000 Total energy: -33.495127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.495127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.495127 (E_RNA) where: Base-Base interactions energy: -12.248 where: short stacking energy: -12.248 Base-Backbone interact. energy: -0.000 local terms energy: -21.247344 where: bonds (distance) C4'-P energy: -4.911 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.530 flat angles P-C4'-P energy: -3.805 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: 4, replica: 8 ===================================== Write number: 43 Temperature: 1.050000 Total energy: -31.692767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.692767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.692767 (E_RNA) where: Base-Base interactions energy: -12.369 where: short stacking energy: -12.369 Base-Backbone interact. energy: -0.076 local terms energy: -19.248055 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -4.879 flat angles C4'-P-C4' energy: -4.604 flat angles P-C4'-P energy: -2.273 tors. eta vs tors. theta energy: -2.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 43 Temperature: 1.100000 Total energy: -25.791655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.791655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.791655 (E_RNA) where: Base-Base interactions energy: -6.559 where: short stacking energy: -6.559 Base-Backbone interact. energy: -0.000 local terms energy: -19.232882 where: bonds (distance) C4'-P energy: -4.617 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -3.350 flat angles P-C4'-P energy: -3.427 tors. eta vs tors. theta energy: -1.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 43 Temperature: 1.150000 Total energy: -24.851317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.851317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.851317 (E_RNA) where: Base-Base interactions energy: -8.381 where: short stacking energy: -8.381 Base-Backbone interact. energy: -0.001 local terms energy: -16.470023 where: bonds (distance) C4'-P energy: -4.307 bonds (distance) P-C4' energy: -4.709 flat angles C4'-P-C4' energy: -4.716 flat angles P-C4'-P energy: -1.479 tors. eta vs tors. theta energy: -1.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 43 Temperature: 1.200000 Total energy: -26.404050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.404050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.404050 (E_RNA) where: Base-Base interactions energy: -9.530 where: short stacking energy: -9.530 Base-Backbone interact. energy: -0.100 local terms energy: -16.774628 where: bonds (distance) C4'-P energy: -3.942 bonds (distance) P-C4' energy: -4.649 flat angles C4'-P-C4' energy: -2.260 flat angles P-C4'-P energy: -3.007 tors. eta vs tors. theta energy: -2.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 43 Temperature: 1.250000 Total energy: -27.791364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.791364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.791364 (E_RNA) where: Base-Base interactions energy: -7.736 where: short stacking energy: -7.736 Base-Backbone interact. energy: -0.000 local terms energy: -20.055535 where: bonds (distance) C4'-P energy: -4.405 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -4.696 flat angles P-C4'-P energy: -3.874 tors. eta vs tors. theta energy: -1.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 43 Temperature: 1.300000 Total energy: -28.711786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.711786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.711786 (E_RNA) where: Base-Base interactions energy: -7.192 where: short stacking energy: -7.192 Base-Backbone interact. energy: -0.099 local terms energy: -21.421043 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -5.783 flat angles C4'-P-C4' energy: -4.659 flat angles P-C4'-P energy: -3.362 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: 7 ===================================== Write number: 43 Temperature: 1.350000 Total energy: -25.918736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.918736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.918736 (E_RNA) where: Base-Base interactions energy: -10.638 where: short stacking energy: -10.638 Base-Backbone interact. energy: -0.021 local terms energy: -15.259248 where: bonds (distance) C4'-P energy: -5.035 bonds (distance) P-C4' energy: -5.209 flat angles C4'-P-C4' energy: -3.216 flat angles P-C4'-P energy: -0.748 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: 1, replica: 5 ===================================== Write number: 44 Temperature: 0.900000 Total energy: -33.816666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.816666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.816666 (E_RNA) where: Base-Base interactions energy: -12.280 where: short stacking energy: -12.280 Base-Backbone interact. energy: -0.009 local terms energy: -21.527661 where: bonds (distance) C4'-P energy: -4.111 bonds (distance) P-C4' energy: -5.783 flat angles C4'-P-C4' energy: -4.638 flat angles P-C4'-P energy: -3.919 tors. eta vs tors. theta energy: -3.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 44 Temperature: 0.950000 Total energy: -33.265656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.265656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.265656 (E_RNA) where: Base-Base interactions energy: -10.303 where: short stacking energy: -10.303 Base-Backbone interact. energy: -0.000 local terms energy: -22.962874 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.476 flat angles P-C4'-P energy: -2.369 tors. eta vs tors. theta energy: -4.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 44 Temperature: 1.000000 Total energy: -35.261730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.261730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.261730 (E_RNA) where: Base-Base interactions energy: -14.214 where: short stacking energy: -14.214 Base-Backbone interact. energy: -0.000 local terms energy: -21.047130 where: bonds (distance) C4'-P energy: -4.538 bonds (distance) P-C4' energy: -3.864 flat angles C4'-P-C4' energy: -5.027 flat angles P-C4'-P energy: -2.151 tors. eta vs tors. theta energy: -5.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 44 Temperature: 1.050000 Total energy: -31.135055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.135055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.135055 (E_RNA) where: Base-Base interactions energy: -11.714 where: short stacking energy: -11.714 Base-Backbone interact. energy: -0.000 local terms energy: -19.421341 where: bonds (distance) C4'-P energy: -5.188 bonds (distance) P-C4' energy: -4.998 flat angles C4'-P-C4' energy: -5.065 flat angles P-C4'-P energy: -2.252 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: 5, replica: 6 ===================================== Write number: 44 Temperature: 1.100000 Total energy: -31.698667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.698667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.698667 (E_RNA) where: Base-Base interactions energy: -7.625 where: short stacking energy: -7.625 Base-Backbone interact. energy: -0.003 local terms energy: -24.070359 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.608 flat angles P-C4'-P energy: -3.539 tors. eta vs tors. theta energy: -3.454 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: 6, replica: 2 ===================================== Write number: 44 Temperature: 1.150000 Total energy: -30.765373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.765373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.765373 (E_RNA) where: Base-Base interactions energy: -12.426 where: short stacking energy: -12.426 Base-Backbone interact. energy: -0.002 local terms energy: -18.337883 where: bonds (distance) C4'-P energy: -3.644 bonds (distance) P-C4' energy: -2.722 flat angles C4'-P-C4' energy: -4.655 flat angles P-C4'-P energy: -3.944 tors. eta vs tors. theta energy: -3.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 44 Temperature: 1.200000 Total energy: -29.163259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.163259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.163259 (E_RNA) where: Base-Base interactions energy: -11.107 where: short stacking energy: -11.107 Base-Backbone interact. energy: -0.002 local terms energy: -18.054446 where: bonds (distance) C4'-P energy: -5.196 bonds (distance) P-C4' energy: -3.966 flat angles C4'-P-C4' energy: -5.049 flat angles P-C4'-P energy: -1.588 tors. eta vs tors. theta energy: -2.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 44 Temperature: 1.250000 Total energy: -25.796059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.796059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.796059 (E_RNA) where: Base-Base interactions energy: -7.092 where: short stacking energy: -7.092 Base-Backbone interact. energy: -0.000 local terms energy: -18.704228 where: bonds (distance) C4'-P energy: -4.637 bonds (distance) P-C4' energy: -4.942 flat angles C4'-P-C4' energy: -4.139 flat angles P-C4'-P energy: -3.077 tors. eta vs tors. theta energy: -1.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 44 Temperature: 1.300000 Total energy: -24.048512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.048512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.048512 (E_RNA) where: Base-Base interactions energy: -6.562 where: short stacking energy: -6.562 Base-Backbone interact. energy: -0.000 local terms energy: -17.486484 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -4.420 flat angles C4'-P-C4' energy: -4.780 flat angles P-C4'-P energy: -1.443 tors. eta vs tors. theta energy: -1.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 44 Temperature: 1.350000 Total energy: -24.467569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.467569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.467569 (E_RNA) where: Base-Base interactions energy: -7.352 where: short stacking energy: -7.352 Base-Backbone interact. energy: -0.001 local terms energy: -17.114042 where: bonds (distance) C4'-P energy: -4.547 bonds (distance) P-C4' energy: -5.466 flat angles C4'-P-C4' energy: -4.570 flat angles P-C4'-P energy: -2.280 tors. eta vs tors. theta energy: -0.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 45 Temperature: 0.900000 Total energy: -31.661948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.661948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.661948 (E_RNA) where: Base-Base interactions energy: -11.995 where: short stacking energy: -11.995 Base-Backbone interact. energy: -0.010 local terms energy: -19.656576 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -5.065 flat angles C4'-P-C4' energy: -4.449 flat angles P-C4'-P energy: -3.138 tors. eta vs tors. theta energy: -2.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 45 Temperature: 0.950000 Total energy: -36.927539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.927539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.927539 (E_RNA) where: Base-Base interactions energy: -13.062 where: short stacking energy: -13.062 Base-Backbone interact. energy: 0.780 local terms energy: -24.645862 where: bonds (distance) C4'-P energy: -5.188 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.873 flat angles P-C4'-P energy: -3.983 tors. eta vs tors. theta energy: -4.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 45 Temperature: 1.000000 Total energy: -33.079626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.079626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.079626 (E_RNA) where: Base-Base interactions energy: -10.972 where: short stacking energy: -10.972 Base-Backbone interact. energy: -0.000 local terms energy: -22.107428 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.481 flat angles P-C4'-P energy: -3.811 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: 6 ===================================== Write number: 45 Temperature: 1.050000 Total energy: -31.596533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.596533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.596533 (E_RNA) where: Base-Base interactions energy: -9.644 where: short stacking energy: -9.644 Base-Backbone interact. energy: -0.053 local terms energy: -21.899482 where: bonds (distance) C4'-P energy: -4.600 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.795 flat angles P-C4'-P energy: -2.475 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: 5, replica: 10 ===================================== Write number: 45 Temperature: 1.100000 Total energy: -31.311714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.311714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.311714 (E_RNA) where: Base-Base interactions energy: -13.449 where: short stacking energy: -13.449 Base-Backbone interact. energy: -0.000 local terms energy: -17.862550 where: bonds (distance) C4'-P energy: -4.025 bonds (distance) P-C4' energy: -4.939 flat angles C4'-P-C4' energy: -3.835 flat angles P-C4'-P energy: -2.142 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: 6, replica: 1 ===================================== Write number: 45 Temperature: 1.150000 Total energy: -26.364620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.364620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.364620 (E_RNA) where: Base-Base interactions energy: -8.018 where: short stacking energy: -8.018 Base-Backbone interact. energy: -0.213 local terms energy: -18.133195 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.921 flat angles P-C4'-P energy: -2.548 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: 2 ===================================== Write number: 45 Temperature: 1.200000 Total energy: -30.672858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.672858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.672858 (E_RNA) where: Base-Base interactions energy: -11.042 where: short stacking energy: -11.042 Base-Backbone interact. energy: -0.006 local terms energy: -19.624767 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -4.935 flat angles C4'-P-C4' energy: -3.690 flat angles P-C4'-P energy: -4.456 tors. eta vs tors. theta energy: -1.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 45 Temperature: 1.250000 Total energy: -26.296365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.296365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.296365 (E_RNA) where: Base-Base interactions energy: -6.792 where: short stacking energy: -6.792 Base-Backbone interact. energy: -0.020 local terms energy: -19.484315 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.308 flat angles C4'-P-C4' energy: -4.237 flat angles P-C4'-P energy: -4.686 tors. eta vs tors. theta energy: 0.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 45 Temperature: 1.300000 Total energy: -27.077114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.077114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.077114 (E_RNA) where: Base-Base interactions energy: -6.569 where: short stacking energy: -6.569 Base-Backbone interact. energy: -0.000 local terms energy: -20.508013 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -4.772 flat angles P-C4'-P energy: -2.959 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: 10, replica: 9 ===================================== Write number: 45 Temperature: 1.350000 Total energy: -24.892010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.892010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.892010 (E_RNA) where: Base-Base interactions energy: -10.026 where: short stacking energy: -10.026 Base-Backbone interact. energy: -0.003 local terms energy: -14.863386 where: bonds (distance) C4'-P energy: -1.608 bonds (distance) P-C4' energy: -2.047 flat angles C4'-P-C4' energy: -5.204 flat angles P-C4'-P energy: -3.748 tors. eta vs tors. theta energy: -2.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 46 Temperature: 0.900000 Total energy: -39.365321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.365321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.365321 (E_RNA) where: Base-Base interactions energy: -15.658 where: short stacking energy: -15.658 Base-Backbone interact. energy: -0.000 local terms energy: -23.707130 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -4.875 flat angles C4'-P-C4' energy: -5.172 flat angles P-C4'-P energy: -4.712 tors. eta vs tors. theta energy: -3.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 46 Temperature: 0.950000 Total energy: -32.301987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.301987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.301987 (E_RNA) where: Base-Base interactions energy: -11.943 where: short stacking energy: -11.706 Base-Backbone interact. energy: -0.005 local terms energy: -20.353921 where: bonds (distance) C4'-P energy: -3.552 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.375 flat angles P-C4'-P energy: -3.408 tors. eta vs tors. theta energy: -3.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 46 Temperature: 1.000000 Total energy: -32.775226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.775226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.775226 (E_RNA) where: Base-Base interactions energy: -12.325 where: short stacking energy: -12.325 Base-Backbone interact. energy: -0.000 local terms energy: -20.450059 where: bonds (distance) C4'-P energy: -4.600 bonds (distance) P-C4' energy: -4.252 flat angles C4'-P-C4' energy: -5.786 flat angles P-C4'-P energy: -1.429 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: 4, replica: 6 ===================================== Write number: 46 Temperature: 1.050000 Total energy: -32.400231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.400231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.400231 (E_RNA) where: Base-Base interactions energy: -13.259 where: short stacking energy: -13.259 Base-Backbone interact. energy: -0.000 local terms energy: -19.140825 where: bonds (distance) C4'-P energy: -4.841 bonds (distance) P-C4' energy: -4.473 flat angles C4'-P-C4' energy: -1.428 flat angles P-C4'-P energy: -4.264 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: 5, replica: 10 ===================================== Write number: 46 Temperature: 1.100000 Total energy: -32.738557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.738557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.738557 (E_RNA) where: Base-Base interactions energy: -10.603 where: short stacking energy: -10.603 Base-Backbone interact. energy: -0.000 local terms energy: -22.135568 where: bonds (distance) C4'-P energy: -3.528 bonds (distance) P-C4' energy: -5.759 flat angles C4'-P-C4' energy: -4.632 flat angles P-C4'-P energy: -3.203 tors. eta vs tors. theta energy: -5.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 46 Temperature: 1.150000 Total energy: -27.549941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.549941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.549941 (E_RNA) where: Base-Base interactions energy: -6.862 where: short stacking energy: -7.392 Base-Backbone interact. energy: -0.099 local terms energy: -20.589343 where: bonds (distance) C4'-P energy: -4.555 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.416 flat angles P-C4'-P energy: -3.169 tors. eta vs tors. theta energy: -1.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 46 Temperature: 1.200000 Total energy: -26.927885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.927885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.927885 (E_RNA) where: Base-Base interactions energy: -11.038 where: short stacking energy: -11.038 Base-Backbone interact. energy: -0.025 local terms energy: -15.864717 where: bonds (distance) C4'-P energy: -3.784 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -3.953 flat angles P-C4'-P energy: -0.408 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: 8, replica: 2 ===================================== Write number: 46 Temperature: 1.250000 Total energy: -28.691585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.691585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.691585 (E_RNA) where: Base-Base interactions energy: -7.969 where: short stacking energy: -7.969 Base-Backbone interact. energy: -0.000 local terms energy: -20.723029 where: bonds (distance) C4'-P energy: -1.897 bonds (distance) P-C4' energy: -4.709 flat angles C4'-P-C4' energy: -4.909 flat angles P-C4'-P energy: -4.210 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: 9, replica: 9 ===================================== Write number: 46 Temperature: 1.300000 Total energy: -31.268833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.268833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.268833 (E_RNA) where: Base-Base interactions energy: -11.483 where: short stacking energy: -11.483 Base-Backbone interact. energy: -0.067 local terms energy: -19.718202 where: bonds (distance) C4'-P energy: -4.832 bonds (distance) P-C4' energy: -4.363 flat angles C4'-P-C4' energy: -5.241 flat angles P-C4'-P energy: -3.361 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: 10, replica: 4 ===================================== Write number: 46 Temperature: 1.350000 Total energy: -26.947594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.947594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.947594 (E_RNA) where: Base-Base interactions energy: -8.424 where: short stacking energy: -8.424 Base-Backbone interact. energy: -0.000 local terms energy: -18.523206 where: bonds (distance) C4'-P energy: -3.652 bonds (distance) P-C4' energy: -4.942 flat angles C4'-P-C4' energy: -4.681 flat angles P-C4'-P energy: -3.352 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: 1, replica: 8 ===================================== Write number: 47 Temperature: 0.900000 Total energy: -37.689261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.689261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.689261 (E_RNA) where: Base-Base interactions energy: -16.667 where: short stacking energy: -16.667 Base-Backbone interact. energy: -0.003 local terms energy: -21.018469 where: bonds (distance) C4'-P energy: -4.645 bonds (distance) P-C4' energy: -4.448 flat angles C4'-P-C4' energy: -4.634 flat angles P-C4'-P energy: -3.859 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: 3 ===================================== Write number: 47 Temperature: 0.950000 Total energy: -33.429526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.429526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.429526 (E_RNA) where: Base-Base interactions energy: -12.267 where: short stacking energy: -12.267 Base-Backbone interact. energy: -0.003 local terms energy: -21.159590 where: bonds (distance) C4'-P energy: -3.830 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.202 flat angles P-C4'-P energy: -2.518 tors. eta vs tors. theta energy: -3.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 47 Temperature: 1.000000 Total energy: -28.485249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.485249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.485249 (E_RNA) where: Base-Base interactions energy: -8.328 where: short stacking energy: -8.328 Base-Backbone interact. energy: -0.000 local terms energy: -20.156912 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.569 flat angles C4'-P-C4' energy: -4.888 flat angles P-C4'-P energy: -3.122 tors. eta vs tors. theta energy: -1.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 47 Temperature: 1.050000 Total energy: -31.928491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.928491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.928491 (E_RNA) where: Base-Base interactions energy: -10.233 where: short stacking energy: -10.233 Base-Backbone interact. energy: -0.000 local terms energy: -21.695605 where: bonds (distance) C4'-P energy: -4.513 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.875 flat angles P-C4'-P energy: -3.453 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: 5, replica: 6 ===================================== Write number: 47 Temperature: 1.100000 Total energy: -33.153055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.153055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.153055 (E_RNA) where: Base-Base interactions energy: -11.563 where: short stacking energy: -11.563 Base-Backbone interact. energy: -0.000 local terms energy: -21.590141 where: bonds (distance) C4'-P energy: -4.637 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -4.710 flat angles P-C4'-P energy: -2.966 tors. eta vs tors. theta energy: -3.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 47 Temperature: 1.150000 Total energy: -30.523584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.523584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.523584 (E_RNA) where: Base-Base interactions energy: -12.653 where: short stacking energy: -12.653 Base-Backbone interact. energy: -0.000 local terms energy: -17.870615 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -3.535 flat angles C4'-P-C4' energy: -3.363 flat angles P-C4'-P energy: -3.240 tors. eta vs tors. theta energy: -2.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 47 Temperature: 1.200000 Total energy: -27.082925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.082925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.082925 (E_RNA) where: Base-Base interactions energy: -8.188 where: short stacking energy: -8.188 Base-Backbone interact. energy: -0.111 local terms energy: -18.783915 where: bonds (distance) C4'-P energy: -4.140 bonds (distance) P-C4' energy: -5.040 flat angles C4'-P-C4' energy: -5.221 flat angles P-C4'-P energy: -4.226 tors. eta vs tors. theta energy: -0.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 47 Temperature: 1.250000 Total energy: -30.695408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.695408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.695408 (E_RNA) where: Base-Base interactions energy: -12.806 where: short stacking energy: -12.806 Base-Backbone interact. energy: -0.000 local terms energy: -17.888874 where: bonds (distance) C4'-P energy: -4.840 bonds (distance) P-C4' energy: -5.783 flat angles C4'-P-C4' energy: -2.561 flat angles P-C4'-P energy: -3.153 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: 9 ===================================== Write number: 47 Temperature: 1.300000 Total energy: -28.975986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.975986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.975986 (E_RNA) where: Base-Base interactions energy: -8.953 where: short stacking energy: -8.953 Base-Backbone interact. energy: -0.000 local terms energy: -20.023350 where: bonds (distance) C4'-P energy: -3.155 bonds (distance) P-C4' energy: -4.713 flat angles C4'-P-C4' energy: -4.746 flat angles P-C4'-P energy: -3.745 tors. eta vs tors. theta energy: -3.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 47 Temperature: 1.350000 Total energy: -24.970531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.970531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.970531 (E_RNA) where: Base-Base interactions energy: -8.308 where: short stacking energy: -8.308 Base-Backbone interact. energy: -0.022 local terms energy: -16.640434 where: bonds (distance) C4'-P energy: -4.663 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -4.782 flat angles P-C4'-P energy: -0.767 tors. eta vs tors. theta energy: -0.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 48 Temperature: 0.900000 Total energy: -36.363248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.363248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.363248 (E_RNA) where: Base-Base interactions energy: -13.330 where: short stacking energy: -13.330 Base-Backbone interact. energy: -0.000 local terms energy: -23.032844 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -3.954 flat angles P-C4'-P energy: -3.925 tors. eta vs tors. theta energy: -4.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 48 Temperature: 0.950000 Total energy: -29.442657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.442657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.442657 (E_RNA) where: Base-Base interactions energy: -6.612 where: short stacking energy: -6.612 Base-Backbone interact. energy: -0.018 local terms energy: -22.812696 where: bonds (distance) C4'-P energy: -3.615 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -5.554 flat angles P-C4'-P energy: -4.484 tors. eta vs tors. theta energy: -3.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 48 Temperature: 1.000000 Total energy: -32.428755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.428755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.428755 (E_RNA) where: Base-Base interactions energy: -11.787 where: short stacking energy: -11.787 Base-Backbone interact. energy: -0.000 local terms energy: -20.641943 where: bonds (distance) C4'-P energy: -4.663 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -2.832 flat angles P-C4'-P energy: -4.110 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: 4, replica: 5 ===================================== Write number: 48 Temperature: 1.050000 Total energy: -28.746463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.746463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.746463 (E_RNA) where: Base-Base interactions energy: -7.369 where: short stacking energy: -7.369 Base-Backbone interact. energy: -0.000 local terms energy: -21.377941 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -5.745 flat angles P-C4'-P energy: -2.607 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: 5, replica: 1 ===================================== Write number: 48 Temperature: 1.100000 Total energy: -31.487688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.487688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.487688 (E_RNA) where: Base-Base interactions energy: -10.421 where: short stacking energy: -10.421 Base-Backbone interact. energy: -0.023 local terms energy: -21.043179 where: bonds (distance) C4'-P energy: -4.140 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -3.892 flat angles P-C4'-P energy: -4.975 tors. eta vs tors. theta energy: -2.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 48 Temperature: 1.150000 Total energy: -29.267075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.267075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.267075 (E_RNA) where: Base-Base interactions energy: -8.718 where: short stacking energy: -8.718 Base-Backbone interact. energy: -0.000 local terms energy: -20.548639 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.518 flat angles P-C4'-P energy: -3.071 tors. eta vs tors. theta energy: -1.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 48 Temperature: 1.200000 Total energy: -25.876879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.876879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.876879 (E_RNA) where: Base-Base interactions energy: -8.854 where: short stacking energy: -8.854 Base-Backbone interact. energy: -0.015 local terms energy: -17.007903 where: bonds (distance) C4'-P energy: -4.733 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -3.498 flat angles P-C4'-P energy: -2.691 tors. eta vs tors. theta energy: -0.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 48 Temperature: 1.250000 Total energy: -26.048249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.048249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.048249 (E_RNA) where: Base-Base interactions energy: -5.443 where: short stacking energy: -5.443 Base-Backbone interact. energy: -0.013 local terms energy: -20.592605 where: bonds (distance) C4'-P energy: -4.261 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -5.569 flat angles P-C4'-P energy: -3.460 tors. eta vs tors. theta energy: -1.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 48 Temperature: 1.300000 Total energy: -26.572386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.572386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.572386 (E_RNA) where: Base-Base interactions energy: -8.654 where: short stacking energy: -8.654 Base-Backbone interact. energy: -0.001 local terms energy: -17.917535 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -2.719 flat angles C4'-P-C4' energy: -3.296 flat angles P-C4'-P energy: -3.425 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: 10, replica: 9 ===================================== Write number: 48 Temperature: 1.350000 Total energy: -24.837592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.837592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.837592 (E_RNA) where: Base-Base interactions energy: -7.645 where: short stacking energy: -7.645 Base-Backbone interact. energy: -0.126 local terms energy: -17.066753 where: bonds (distance) C4'-P energy: -3.756 bonds (distance) P-C4' energy: -5.206 flat angles C4'-P-C4' energy: -4.904 flat angles P-C4'-P energy: -3.449 tors. eta vs tors. theta energy: 0.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 49 Temperature: 0.900000 Total energy: -39.632317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.632317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.632317 (E_RNA) where: Base-Base interactions energy: -16.607 where: short stacking energy: -16.607 Base-Backbone interact. energy: -0.000 local terms energy: -23.025286 where: bonds (distance) C4'-P energy: -3.416 bonds (distance) P-C4' energy: -5.075 flat angles C4'-P-C4' energy: -5.058 flat angles P-C4'-P energy: -3.893 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: 2, replica: 10 ===================================== Write number: 49 Temperature: 0.950000 Total energy: -32.645646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.645646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.645646 (E_RNA) where: Base-Base interactions energy: -12.582 where: short stacking energy: -12.582 Base-Backbone interact. energy: -0.001 local terms energy: -20.062354 where: bonds (distance) C4'-P energy: -4.111 bonds (distance) P-C4' energy: -4.385 flat angles C4'-P-C4' energy: -5.364 flat angles P-C4'-P energy: -2.441 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: 3, replica: 3 ===================================== Write number: 49 Temperature: 1.000000 Total energy: -32.367892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.367892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.367892 (E_RNA) where: Base-Base interactions energy: -11.071 where: short stacking energy: -11.071 Base-Backbone interact. energy: -0.000 local terms energy: -21.297316 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -5.170 flat angles P-C4'-P energy: -3.440 tors. eta vs tors. theta energy: -1.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 49 Temperature: 1.050000 Total energy: -27.034993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.034993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.034993 (E_RNA) where: Base-Base interactions energy: -8.758 where: short stacking energy: -8.758 Base-Backbone interact. energy: -0.053 local terms energy: -18.223940 where: bonds (distance) C4'-P energy: -4.008 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -3.708 flat angles P-C4'-P energy: -4.249 tors. eta vs tors. theta energy: -0.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 49 Temperature: 1.100000 Total energy: -29.902455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.902455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.902455 (E_RNA) where: Base-Base interactions energy: -10.144 where: short stacking energy: -10.144 Base-Backbone interact. energy: -0.001 local terms energy: -19.757367 where: bonds (distance) C4'-P energy: -3.532 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -5.509 flat angles P-C4'-P energy: -0.242 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: 6, replica: 2 ===================================== Write number: 49 Temperature: 1.150000 Total energy: -27.049572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.049572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.049572 (E_RNA) where: Base-Base interactions energy: -8.036 where: short stacking energy: -8.036 Base-Backbone interact. energy: -0.107 local terms energy: -18.906757 where: bonds (distance) C4'-P energy: -3.155 bonds (distance) P-C4' energy: -5.516 flat angles C4'-P-C4' energy: -5.488 flat angles P-C4'-P energy: -3.891 tors. eta vs tors. theta energy: -0.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 49 Temperature: 1.200000 Total energy: -29.563942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.563942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.563942 (E_RNA) where: Base-Base interactions energy: -11.592 where: short stacking energy: -11.592 Base-Backbone interact. energy: -0.070 local terms energy: -17.902114 where: bonds (distance) C4'-P energy: -1.225 bonds (distance) P-C4' energy: -5.286 flat angles C4'-P-C4' energy: -4.076 flat angles P-C4'-P energy: -3.842 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: 8, replica: 4 ===================================== Write number: 49 Temperature: 1.250000 Total energy: -23.754651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.754651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.754651 (E_RNA) where: Base-Base interactions energy: -4.659 where: short stacking energy: -4.659 Base-Backbone interact. energy: -0.051 local terms energy: -19.043883 where: bonds (distance) C4'-P energy: -4.795 bonds (distance) P-C4' energy: -5.286 flat angles C4'-P-C4' energy: -4.086 flat angles P-C4'-P energy: -4.171 tors. eta vs tors. theta energy: -0.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 49 Temperature: 1.300000 Total energy: -20.751577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.751577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.751577 (E_RNA) where: Base-Base interactions energy: -5.656 where: short stacking energy: -5.656 Base-Backbone interact. energy: -0.067 local terms energy: -15.028495 where: bonds (distance) C4'-P energy: -4.563 bonds (distance) P-C4' energy: -4.156 flat angles C4'-P-C4' energy: -3.130 flat angles P-C4'-P energy: -2.386 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: 9 ===================================== Write number: 49 Temperature: 1.350000 Total energy: -22.828942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.828942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.828942 (E_RNA) where: Base-Base interactions energy: -3.288 where: short stacking energy: -3.288 Base-Backbone interact. energy: -0.028 local terms energy: -19.512863 where: bonds (distance) C4'-P energy: -4.919 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -3.761 flat angles P-C4'-P energy: -3.557 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: 1, replica: 8 ===================================== Write number: 50 Temperature: 0.900000 Total energy: -35.777883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.777883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.777883 (E_RNA) where: Base-Base interactions energy: -12.654 where: short stacking energy: -12.654 Base-Backbone interact. energy: -0.000 local terms energy: -23.123894 where: bonds (distance) C4'-P energy: -4.103 bonds (distance) P-C4' energy: -5.290 flat angles C4'-P-C4' energy: -5.594 flat angles P-C4'-P energy: -3.702 tors. eta vs tors. theta energy: -4.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 50 Temperature: 0.950000 Total energy: -33.203311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.203311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.203311 (E_RNA) where: Base-Base interactions energy: -11.524 where: short stacking energy: -11.524 Base-Backbone interact. energy: -0.006 local terms energy: -21.673831 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -5.219 flat angles P-C4'-P energy: -4.347 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: 3, replica: 3 ===================================== Write number: 50 Temperature: 1.000000 Total energy: -35.015055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.015055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.015055 (E_RNA) where: Base-Base interactions energy: -12.743 where: short stacking energy: -12.743 Base-Backbone interact. energy: -0.084 local terms energy: -22.188296 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -4.723 flat angles P-C4'-P energy: -3.271 tors. eta vs tors. theta energy: -4.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 50 Temperature: 1.050000 Total energy: -29.623180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.623180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.623180 (E_RNA) where: Base-Base interactions energy: -8.346 where: short stacking energy: -8.346 Base-Backbone interact. energy: -0.140 local terms energy: -21.138010 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -4.949 flat angles C4'-P-C4' energy: -4.802 flat angles P-C4'-P energy: -4.542 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: 5, replica: 2 ===================================== Write number: 50 Temperature: 1.100000 Total energy: -30.279859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.279859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.279859 (E_RNA) where: Base-Base interactions energy: -11.342 where: short stacking energy: -11.342 Base-Backbone interact. energy: -0.000 local terms energy: -18.937463 where: bonds (distance) C4'-P energy: -3.135 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.518 flat angles P-C4'-P energy: -3.031 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: 6, replica: 5 ===================================== Write number: 50 Temperature: 1.150000 Total energy: -26.939842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.939842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.939842 (E_RNA) where: Base-Base interactions energy: -7.568 where: short stacking energy: -7.568 Base-Backbone interact. energy: -0.000 local terms energy: -19.371381 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -3.718 flat angles P-C4'-P energy: -1.967 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: 7, replica: 4 ===================================== Write number: 50 Temperature: 1.200000 Total energy: -30.649883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.649883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.649883 (E_RNA) where: Base-Base interactions energy: -10.387 where: short stacking energy: -10.387 Base-Backbone interact. energy: -0.005 local terms energy: -20.258324 where: bonds (distance) C4'-P energy: -4.369 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.592 flat angles P-C4'-P energy: -3.850 tors. eta vs tors. theta energy: -1.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 50 Temperature: 1.250000 Total energy: -29.832293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.832293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.832293 (E_RNA) where: Base-Base interactions energy: -10.535 where: short stacking energy: -10.535 Base-Backbone interact. energy: -0.000 local terms energy: -19.297749 where: bonds (distance) C4'-P energy: -3.714 bonds (distance) P-C4' energy: -4.709 flat angles C4'-P-C4' energy: -4.995 flat angles P-C4'-P energy: -3.163 tors. eta vs tors. theta energy: -2.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 50 Temperature: 1.300000 Total energy: -25.732353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.732353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.732353 (E_RNA) where: Base-Base interactions energy: -7.475 where: short stacking energy: -7.475 Base-Backbone interact. energy: -0.001 local terms energy: -18.256612 where: bonds (distance) C4'-P energy: -4.555 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -4.865 flat angles P-C4'-P energy: -2.721 tors. eta vs tors. theta energy: -0.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 50 Temperature: 1.350000 Total energy: -29.272014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.272014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.272014 (E_RNA) where: Base-Base interactions energy: -7.962 where: short stacking energy: -7.962 Base-Backbone interact. energy: -0.018 local terms energy: -21.292201 where: bonds (distance) C4'-P energy: -4.413 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -3.511 flat angles P-C4'-P energy: -4.372 tors. eta vs tors. theta energy: -3.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 51 Temperature: 0.900000 Total energy: -40.431535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.431535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.431535 (E_RNA) where: Base-Base interactions energy: -16.267 where: short stacking energy: -16.267 Base-Backbone interact. energy: -0.000 local terms energy: -24.164654 where: bonds (distance) C4'-P energy: -5.196 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.397 flat angles P-C4'-P energy: -3.025 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: 3 ===================================== Write number: 51 Temperature: 0.950000 Total energy: -31.901851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.901851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.901851 (E_RNA) where: Base-Base interactions energy: -10.886 where: short stacking energy: -10.886 Base-Backbone interact. energy: -0.020 local terms energy: -20.995422 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -4.614 flat angles C4'-P-C4' energy: -4.653 flat angles P-C4'-P energy: -4.371 tors. eta vs tors. theta energy: -1.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 51 Temperature: 1.000000 Total energy: -34.861030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.861030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.861030 (E_RNA) where: Base-Base interactions energy: -11.882 where: short stacking energy: -11.882 Base-Backbone interact. energy: -0.000 local terms energy: -22.979057 where: bonds (distance) C4'-P energy: -5.027 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -5.520 flat angles P-C4'-P energy: -2.937 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: 4, replica: 2 ===================================== Write number: 51 Temperature: 1.050000 Total energy: -29.600392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.600392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.600392 (E_RNA) where: Base-Base interactions energy: -9.642 where: short stacking energy: -9.642 Base-Backbone interact. energy: -0.001 local terms energy: -19.957225 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -3.900 flat angles P-C4'-P energy: -2.740 tors. eta vs tors. theta energy: -2.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 51 Temperature: 1.100000 Total energy: -28.759847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.759847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.759847 (E_RNA) where: Base-Base interactions energy: -8.690 where: short stacking energy: -8.690 Base-Backbone interact. energy: -0.000 local terms energy: -20.070053 where: bonds (distance) C4'-P energy: -3.155 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -5.332 flat angles P-C4'-P energy: -2.877 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: 6, replica: 4 ===================================== Write number: 51 Temperature: 1.150000 Total energy: -29.712138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.712138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.712138 (E_RNA) where: Base-Base interactions energy: -12.611 where: short stacking energy: -12.611 Base-Backbone interact. energy: -0.015 local terms energy: -17.085932 where: bonds (distance) C4'-P energy: -3.251 bonds (distance) P-C4' energy: -5.724 flat angles C4'-P-C4' energy: -4.651 flat angles P-C4'-P energy: -2.931 tors. eta vs tors. theta energy: -0.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 51 Temperature: 1.200000 Total energy: -31.914757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.914757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.914757 (E_RNA) where: Base-Base interactions energy: -11.604 where: short stacking energy: -11.604 Base-Backbone interact. energy: -0.057 local terms energy: -20.254317 where: bonds (distance) C4'-P energy: -5.242 bonds (distance) P-C4' energy: -6.256 flat angles C4'-P-C4' energy: -4.437 flat angles P-C4'-P energy: -1.635 tors. eta vs tors. theta energy: -2.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 51 Temperature: 1.250000 Total energy: -30.475454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.475454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.475454 (E_RNA) where: Base-Base interactions energy: -9.515 where: short stacking energy: -9.515 Base-Backbone interact. energy: -0.000 local terms energy: -20.960490 where: bonds (distance) C4'-P energy: -4.529 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.178 flat angles P-C4'-P energy: -2.004 tors. eta vs tors. theta energy: -4.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 51 Temperature: 1.300000 Total energy: -24.949440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.949440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.949440 (E_RNA) where: Base-Base interactions energy: -6.111 where: short stacking energy: -6.111 Base-Backbone interact. energy: -0.055 local terms energy: -18.783251 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.784 flat angles P-C4'-P energy: -0.803 tors. eta vs tors. theta energy: -1.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 51 Temperature: 1.350000 Total energy: -27.013895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.013895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.013895 (E_RNA) where: Base-Base interactions energy: -10.109 where: short stacking energy: -10.109 Base-Backbone interact. energy: -0.000 local terms energy: -16.904741 where: bonds (distance) C4'-P energy: -4.679 bonds (distance) P-C4' energy: -4.473 flat angles C4'-P-C4' energy: -1.867 flat angles P-C4'-P energy: -3.267 tors. eta vs tors. theta energy: -2.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 52 Temperature: 0.900000 Total energy: -40.570442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.570442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.570442 (E_RNA) where: Base-Base interactions energy: -15.872 where: short stacking energy: -15.872 Base-Backbone interact. energy: -0.000 local terms energy: -24.698748 where: bonds (distance) C4'-P energy: -4.753 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -5.746 flat angles P-C4'-P energy: -3.775 tors. eta vs tors. theta energy: -4.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 52 Temperature: 0.950000 Total energy: -31.839258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.839258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.839258 (E_RNA) where: Base-Base interactions energy: -11.058 where: short stacking energy: -11.058 Base-Backbone interact. energy: -0.001 local terms energy: -20.780441 where: bonds (distance) C4'-P energy: -4.778 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -5.092 flat angles P-C4'-P energy: -3.405 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: 3, replica: 2 ===================================== Write number: 52 Temperature: 1.000000 Total energy: -28.959561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.959561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.959561 (E_RNA) where: Base-Base interactions energy: -7.237 where: short stacking energy: -7.237 Base-Backbone interact. energy: -0.000 local terms energy: -21.722311 where: bonds (distance) C4'-P energy: -4.132 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.666 flat angles P-C4'-P energy: -4.665 tors. eta vs tors. theta energy: -2.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 52 Temperature: 1.050000 Total energy: -32.815523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.815523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.815523 (E_RNA) where: Base-Base interactions energy: -12.493 where: short stacking energy: -12.493 Base-Backbone interact. energy: -0.188 local terms energy: -20.135002 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -5.043 flat angles C4'-P-C4' energy: -5.030 flat angles P-C4'-P energy: -2.668 tors. eta vs tors. theta energy: -2.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 52 Temperature: 1.100000 Total energy: -33.919335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.919335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.919335 (E_RNA) where: Base-Base interactions energy: -13.874 where: short stacking energy: -13.874 Base-Backbone interact. energy: -0.009 local terms energy: -20.036499 where: bonds (distance) C4'-P energy: -2.744 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -5.575 flat angles P-C4'-P energy: -3.144 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: 6, replica: 1 ===================================== Write number: 52 Temperature: 1.150000 Total energy: -28.952446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.952446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.952446 (E_RNA) where: Base-Base interactions energy: -11.089 where: short stacking energy: -11.089 Base-Backbone interact. energy: -0.010 local terms energy: -17.853662 where: bonds (distance) C4'-P energy: -3.002 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.986 flat angles P-C4'-P energy: -2.412 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: 7, replica: 9 ===================================== Write number: 52 Temperature: 1.200000 Total energy: -27.681671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.681671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.681671 (E_RNA) where: Base-Base interactions energy: -11.199 where: short stacking energy: -11.199 Base-Backbone interact. energy: -0.000 local terms energy: -16.482460 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -1.279 flat angles C4'-P-C4' energy: -4.726 flat angles P-C4'-P energy: -2.932 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: 52 Temperature: 1.250000 Total energy: -30.848923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.848923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.848923 (E_RNA) where: Base-Base interactions energy: -12.392 where: short stacking energy: -12.392 Base-Backbone interact. energy: -0.076 local terms energy: -18.381436 where: bonds (distance) C4'-P energy: -3.826 bonds (distance) P-C4' energy: -4.473 flat angles C4'-P-C4' energy: -4.655 flat angles P-C4'-P energy: -1.943 tors. eta vs tors. theta energy: -3.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 52 Temperature: 1.300000 Total energy: -29.581937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.581937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.581937 (E_RNA) where: Base-Base interactions energy: -10.664 where: short stacking energy: -10.664 Base-Backbone interact. energy: -0.000 local terms energy: -18.917683 where: bonds (distance) C4'-P energy: -1.628 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -4.683 flat angles P-C4'-P energy: -3.884 tors. eta vs tors. theta energy: -3.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 52 Temperature: 1.350000 Total energy: -25.101064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.101064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.101064 (E_RNA) where: Base-Base interactions energy: -8.457 where: short stacking energy: -8.457 Base-Backbone interact. energy: -0.012 local terms energy: -16.631737 where: bonds (distance) C4'-P energy: -3.863 bonds (distance) P-C4' energy: -5.787 flat angles C4'-P-C4' energy: -4.519 flat angles P-C4'-P energy: -2.012 tors. eta vs tors. theta energy: -0.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 53 Temperature: 0.900000 Total energy: -38.185460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.185460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.185460 (E_RNA) where: Base-Base interactions energy: -16.415 where: short stacking energy: -16.415 Base-Backbone interact. energy: -0.000 local terms energy: -21.770061 where: bonds (distance) C4'-P energy: -4.294 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -5.432 flat angles P-C4'-P energy: -3.186 tors. eta vs tors. theta energy: -3.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 53 Temperature: 0.950000 Total energy: -34.662681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.662681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.662681 (E_RNA) where: Base-Base interactions energy: -12.035 where: short stacking energy: -12.035 Base-Backbone interact. energy: -0.000 local terms energy: -22.627713 where: bonds (distance) C4'-P energy: -4.335 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.817 flat angles P-C4'-P energy: -4.124 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: 3, replica: 8 ===================================== Write number: 53 Temperature: 1.000000 Total energy: -31.293346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.293346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.293346 (E_RNA) where: Base-Base interactions energy: -11.010 where: short stacking energy: -11.010 Base-Backbone interact. energy: -0.000 local terms energy: -20.283446 where: bonds (distance) C4'-P energy: -4.111 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.959 flat angles P-C4'-P energy: -2.651 tors. eta vs tors. theta energy: -2.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 53 Temperature: 1.050000 Total energy: -29.590240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.590240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.590240 (E_RNA) where: Base-Base interactions energy: -15.612 where: short stacking energy: -15.612 Base-Backbone interact. energy: -0.000 local terms energy: -13.978111 where: bonds (distance) C4'-P energy: -2.489 bonds (distance) P-C4' energy: -3.553 flat angles C4'-P-C4' energy: -3.402 flat angles P-C4'-P energy: -2.592 tors. eta vs tors. theta energy: -1.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 53 Temperature: 1.100000 Total energy: -32.656005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.656005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.656005 (E_RNA) where: Base-Base interactions energy: -11.631 where: short stacking energy: -11.631 Base-Backbone interact. energy: -0.001 local terms energy: -21.023193 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.626 flat angles P-C4'-P energy: -2.779 tors. eta vs tors. theta energy: -3.445 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: 6, replica: 9 ===================================== Write number: 53 Temperature: 1.150000 Total energy: -27.229988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.229988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.229988 (E_RNA) where: Base-Base interactions energy: -6.749 where: short stacking energy: -6.749 Base-Backbone interact. energy: -0.000 local terms energy: -20.480705 where: bonds (distance) C4'-P energy: -3.979 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -3.617 flat angles P-C4'-P energy: -3.154 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: 7, replica: 1 ===================================== Write number: 53 Temperature: 1.200000 Total energy: -26.300582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.300582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.300582 (E_RNA) where: Base-Base interactions energy: -10.526 where: short stacking energy: -10.526 Base-Backbone interact. energy: -0.006 local terms energy: -15.769456 where: bonds (distance) C4'-P energy: -2.505 bonds (distance) P-C4' energy: -5.298 flat angles C4'-P-C4' energy: -3.021 flat angles P-C4'-P energy: -3.153 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: 8, replica: 7 ===================================== Write number: 53 Temperature: 1.250000 Total energy: -26.613912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.613912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.613912 (E_RNA) where: Base-Base interactions energy: -8.517 where: short stacking energy: -8.517 Base-Backbone interact. energy: -0.005 local terms energy: -18.092554 where: bonds (distance) C4'-P energy: -4.786 bonds (distance) P-C4' energy: -4.621 flat angles C4'-P-C4' energy: -5.221 flat angles P-C4'-P energy: -3.450 tors. eta vs tors. theta energy: -0.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 53 Temperature: 1.300000 Total energy: -30.116123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.116123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.116123 (E_RNA) where: Base-Base interactions energy: -10.033 where: short stacking energy: -10.033 Base-Backbone interact. energy: -0.000 local terms energy: -20.082637 where: bonds (distance) C4'-P energy: -4.637 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -2.616 flat angles P-C4'-P energy: -3.565 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: 10, replica: 6 ===================================== Write number: 53 Temperature: 1.350000 Total energy: -26.354265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.354265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.354265 (E_RNA) where: Base-Base interactions energy: -9.536 where: short stacking energy: -9.536 Base-Backbone interact. energy: -0.001 local terms energy: -16.817742 where: bonds (distance) C4'-P energy: -4.285 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -4.121 flat angles P-C4'-P energy: -2.307 tors. eta vs tors. theta energy: -0.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 54 Temperature: 0.900000 Total energy: -33.917467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.917467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.917467 (E_RNA) where: Base-Base interactions energy: -11.979 where: short stacking energy: -11.979 Base-Backbone interact. energy: -0.098 local terms energy: -21.840056 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.944 flat angles P-C4'-P energy: -3.520 tors. eta vs tors. theta energy: -2.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 54 Temperature: 0.950000 Total energy: -37.147419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.147419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.147419 (E_RNA) where: Base-Base interactions energy: -15.733 where: short stacking energy: -15.733 Base-Backbone interact. energy: -0.000 local terms energy: -21.414350 where: bonds (distance) C4'-P energy: -4.235 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.098 flat angles P-C4'-P energy: -3.162 tors. eta vs tors. theta energy: -2.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 54 Temperature: 1.000000 Total energy: -38.454310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.454310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.454310 (E_RNA) where: Base-Base interactions energy: -15.650 where: short stacking energy: -15.650 Base-Backbone interact. energy: -0.000 local terms energy: -22.804224 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -3.709 flat angles P-C4'-P energy: -3.259 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: 8 ===================================== Write number: 54 Temperature: 1.050000 Total energy: -27.456550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.456550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.456550 (E_RNA) where: Base-Base interactions energy: -8.235 where: short stacking energy: -8.235 Base-Backbone interact. energy: -0.000 local terms energy: -19.221548 where: bonds (distance) C4'-P energy: -4.057 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -3.708 flat angles P-C4'-P energy: -4.210 tors. eta vs tors. theta energy: -1.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 54 Temperature: 1.100000 Total energy: -26.356542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.356542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.356542 (E_RNA) where: Base-Base interactions energy: -8.377 where: short stacking energy: -8.377 Base-Backbone interact. energy: -0.081 local terms energy: -17.898432 where: bonds (distance) C4'-P energy: -1.732 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -5.735 flat angles P-C4'-P energy: -4.119 tors. eta vs tors. theta energy: -0.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 54 Temperature: 1.150000 Total energy: -27.941832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.941832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.941832 (E_RNA) where: Base-Base interactions energy: -8.253 where: short stacking energy: -8.253 Base-Backbone interact. energy: -0.034 local terms energy: -19.655244 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -4.155 flat angles P-C4'-P energy: -3.324 tors. eta vs tors. theta energy: -2.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 54 Temperature: 1.200000 Total energy: -23.792058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.792058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.792058 (E_RNA) where: Base-Base interactions energy: -3.814 where: short stacking energy: -3.814 Base-Backbone interact. energy: -0.093 local terms energy: -19.884949 where: bonds (distance) C4'-P energy: -4.227 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -5.397 flat angles P-C4'-P energy: -4.078 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: 8, replica: 1 ===================================== Write number: 54 Temperature: 1.250000 Total energy: -33.409865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.409865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.409865 (E_RNA) where: Base-Base interactions energy: -14.191 where: short stacking energy: -14.191 Base-Backbone interact. energy: -0.000 local terms energy: -19.218861 where: bonds (distance) C4'-P energy: -3.690 bonds (distance) P-C4' energy: -4.181 flat angles C4'-P-C4' energy: -3.592 flat angles P-C4'-P energy: -3.649 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: 9, replica: 6 ===================================== Write number: 54 Temperature: 1.300000 Total energy: -26.242933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.242933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.242933 (E_RNA) where: Base-Base interactions energy: -6.808 where: short stacking energy: -6.808 Base-Backbone interact. energy: -0.001 local terms energy: -19.434406 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -4.872 flat angles C4'-P-C4' energy: -4.501 flat angles P-C4'-P energy: -2.922 tors. eta vs tors. theta energy: -1.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 54 Temperature: 1.350000 Total energy: -30.668350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.668350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.668350 (E_RNA) where: Base-Base interactions energy: -10.521 where: short stacking energy: -10.521 Base-Backbone interact. energy: -0.000 local terms energy: -20.147262 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -4.484 flat angles P-C4'-P energy: -3.911 tors. eta vs tors. theta energy: -1.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 55 Temperature: 0.900000 Total energy: -31.960440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.960440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.960440 (E_RNA) where: Base-Base interactions energy: -11.225 where: short stacking energy: -11.225 Base-Backbone interact. energy: -0.003 local terms energy: -20.732882 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -4.258 flat angles C4'-P-C4' energy: -5.135 flat angles P-C4'-P energy: -3.352 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: 2, replica: 4 ===================================== Write number: 55 Temperature: 0.950000 Total energy: -27.913364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.913364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.913364 (E_RNA) where: Base-Base interactions energy: -7.846 where: short stacking energy: -7.846 Base-Backbone interact. energy: -0.220 local terms energy: -19.847117 where: bonds (distance) C4'-P energy: -4.725 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -5.501 flat angles P-C4'-P energy: -3.885 tors. eta vs tors. theta energy: -0.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 55 Temperature: 1.000000 Total energy: -30.011275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.011275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.011275 (E_RNA) where: Base-Base interactions energy: -10.170 where: short stacking energy: -10.170 Base-Backbone interact. energy: -0.000 local terms energy: -19.841375 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -3.046 flat angles P-C4'-P energy: -1.972 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: 4, replica: 9 ===================================== Write number: 55 Temperature: 1.050000 Total energy: -32.522695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.522695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.522695 (E_RNA) where: Base-Base interactions energy: -11.094 where: short stacking energy: -11.094 Base-Backbone interact. energy: -0.013 local terms energy: -21.414935 where: bonds (distance) C4'-P energy: -5.275 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -4.458 flat angles P-C4'-P energy: -3.023 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: 55 Temperature: 1.100000 Total energy: -28.202755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.202755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.202755 (E_RNA) where: Base-Base interactions energy: -9.042 where: short stacking energy: -9.042 Base-Backbone interact. energy: -0.002 local terms energy: -19.158260 where: bonds (distance) C4'-P energy: -4.663 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -3.789 flat angles P-C4'-P energy: -4.287 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: 6, replica: 7 ===================================== Write number: 55 Temperature: 1.150000 Total energy: -25.926507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.926507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.926507 (E_RNA) where: Base-Base interactions energy: -6.220 where: short stacking energy: -6.220 Base-Backbone interact. energy: -0.001 local terms energy: -19.706063 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -2.811 flat angles P-C4'-P energy: -3.653 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: 7, replica: 10 ===================================== Write number: 55 Temperature: 1.200000 Total energy: -27.648641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.648641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.648641 (E_RNA) where: Base-Base interactions energy: -8.355 where: short stacking energy: -8.355 Base-Backbone interact. energy: -0.002 local terms energy: -19.292388 where: bonds (distance) C4'-P energy: -5.498 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.346 flat angles P-C4'-P energy: -1.060 tors. eta vs tors. theta energy: -1.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 55 Temperature: 1.250000 Total energy: -26.972084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.972084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.972084 (E_RNA) where: Base-Base interactions energy: -8.060 where: short stacking energy: -8.060 Base-Backbone interact. energy: -0.002 local terms energy: -18.910215 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -3.067 flat angles P-C4'-P energy: -3.474 tors. eta vs tors. theta energy: -0.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 55 Temperature: 1.300000 Total energy: -30.320142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.320142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.320142 (E_RNA) where: Base-Base interactions energy: -11.635 where: short stacking energy: -11.635 Base-Backbone interact. energy: -0.013 local terms energy: -18.671241 where: bonds (distance) C4'-P energy: -3.900 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -5.064 flat angles P-C4'-P energy: -1.562 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: 10, replica: 5 ===================================== Write number: 55 Temperature: 1.350000 Total energy: -24.943761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.943761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.943761 (E_RNA) where: Base-Base interactions energy: -9.323 where: short stacking energy: -9.323 Base-Backbone interact. energy: 0.624 local terms energy: -16.245005 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -4.875 flat angles C4'-P-C4' energy: -4.937 flat angles P-C4'-P energy: -1.728 tors. eta vs tors. theta energy: 0.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 56 Temperature: 0.900000 Total energy: -34.056525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.056525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.056525 (E_RNA) where: Base-Base interactions energy: -10.463 where: short stacking energy: -10.463 Base-Backbone interact. energy: -0.000 local terms energy: -23.593981 where: bonds (distance) C4'-P energy: -4.405 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -4.891 flat angles P-C4'-P energy: -3.200 tors. eta vs tors. theta energy: -5.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 56 Temperature: 0.950000 Total energy: -38.611338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.611338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.611338 (E_RNA) where: Base-Base interactions energy: -15.819 where: short stacking energy: -15.819 Base-Backbone interact. energy: -0.000 local terms energy: -22.791967 where: bonds (distance) C4'-P energy: -5.598 bonds (distance) P-C4' energy: -4.262 flat angles C4'-P-C4' energy: -5.540 flat angles P-C4'-P energy: -4.122 tors. eta vs tors. theta energy: -3.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 56 Temperature: 1.000000 Total energy: -30.646162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.646162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.646162 (E_RNA) where: Base-Base interactions energy: -9.534 where: short stacking energy: -9.534 Base-Backbone interact. energy: -0.037 local terms energy: -21.075459 where: bonds (distance) C4'-P energy: -5.196 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.404 flat angles P-C4'-P energy: -3.743 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: 4, replica: 3 ===================================== Write number: 56 Temperature: 1.050000 Total energy: -31.275502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.275502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.275502 (E_RNA) where: Base-Base interactions energy: -13.044 where: short stacking energy: -13.044 Base-Backbone interact. energy: -0.007 local terms energy: -18.224690 where: bonds (distance) C4'-P energy: -4.529 bonds (distance) P-C4' energy: -5.995 flat angles C4'-P-C4' energy: -4.574 flat angles P-C4'-P energy: -1.730 tors. eta vs tors. theta energy: -1.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 56 Temperature: 1.100000 Total energy: -33.591918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.591918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.591918 (E_RNA) where: Base-Base interactions energy: -10.973 where: short stacking energy: -10.973 Base-Backbone interact. energy: -0.000 local terms energy: -22.618605 where: bonds (distance) C4'-P energy: -5.196 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.393 flat angles P-C4'-P energy: -4.072 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: 6, replica: 8 ===================================== Write number: 56 Temperature: 1.150000 Total energy: -31.075185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.075185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.075185 (E_RNA) where: Base-Base interactions energy: -13.275 where: short stacking energy: -13.275 Base-Backbone interact. energy: -0.017 local terms energy: -17.783568 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -4.678 flat angles C4'-P-C4' energy: -2.925 flat angles P-C4'-P energy: -2.598 tors. eta vs tors. theta energy: -3.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 56 Temperature: 1.200000 Total energy: -28.271059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.271059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.271059 (E_RNA) where: Base-Base interactions energy: -7.485 where: short stacking energy: -7.485 Base-Backbone interact. energy: -0.000 local terms energy: -20.786410 where: bonds (distance) C4'-P energy: -4.663 bonds (distance) P-C4' energy: -4.420 flat angles C4'-P-C4' energy: -4.959 flat angles P-C4'-P energy: -3.874 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: 8, replica: 10 ===================================== Write number: 56 Temperature: 1.250000 Total energy: -23.636423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.636423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.636423 (E_RNA) where: Base-Base interactions energy: -4.909 where: short stacking energy: -4.909 Base-Backbone interact. energy: -0.001 local terms energy: -18.726634 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -1.061 flat angles P-C4'-P energy: -4.434 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: 9, replica: 5 ===================================== Write number: 56 Temperature: 1.300000 Total energy: -29.967182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.967182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.967182 (E_RNA) where: Base-Base interactions energy: -10.346 where: short stacking energy: -10.346 Base-Backbone interact. energy: -0.078 local terms energy: -19.543321 where: bonds (distance) C4'-P energy: -2.906 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -5.030 flat angles P-C4'-P energy: -2.913 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: 10, replica: 1 ===================================== Write number: 56 Temperature: 1.350000 Total energy: -23.896756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.896756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.896756 (E_RNA) where: Base-Base interactions energy: -5.260 where: short stacking energy: -5.260 Base-Backbone interact. energy: -0.022 local terms energy: -18.614565 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -3.815 flat angles P-C4'-P energy: -4.201 tors. eta vs tors. theta energy: 0.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 57 Temperature: 0.900000 Total energy: -32.414049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.414049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.414049 (E_RNA) where: Base-Base interactions energy: -11.672 where: short stacking energy: -11.672 Base-Backbone interact. energy: -0.000 local terms energy: -20.741547 where: bonds (distance) C4'-P energy: -5.018 bonds (distance) P-C4' energy: -4.709 flat angles C4'-P-C4' energy: -4.443 flat angles P-C4'-P energy: -3.243 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: 9 ===================================== Write number: 57 Temperature: 0.950000 Total energy: -35.329880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.329880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.329880 (E_RNA) where: Base-Base interactions energy: -14.711 where: short stacking energy: -14.711 Base-Backbone interact. energy: -0.001 local terms energy: -20.617171 where: bonds (distance) C4'-P energy: -3.287 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -4.854 flat angles P-C4'-P energy: -4.072 tors. eta vs tors. theta energy: -3.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 57 Temperature: 1.000000 Total energy: -31.551641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.551641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.551641 (E_RNA) where: Base-Base interactions energy: -10.234 where: short stacking energy: -10.234 Base-Backbone interact. energy: -0.000 local terms energy: -21.317669 where: bonds (distance) C4'-P energy: -2.791 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -3.521 flat angles P-C4'-P energy: -3.209 tors. eta vs tors. theta energy: -5.555 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: 7 ===================================== Write number: 57 Temperature: 1.050000 Total energy: -34.444149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.444149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.444149 (E_RNA) where: Base-Base interactions energy: -11.345 where: short stacking energy: -11.345 Base-Backbone interact. energy: -0.000 local terms energy: -23.099320 where: bonds (distance) C4'-P energy: -3.871 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.609 flat angles P-C4'-P energy: -2.804 tors. eta vs tors. theta energy: -4.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 57 Temperature: 1.100000 Total energy: -34.618017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.618017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.618017 (E_RNA) where: Base-Base interactions energy: -11.555 where: short stacking energy: -11.555 Base-Backbone interact. energy: -0.001 local terms energy: -23.062072 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.494 flat angles C4'-P-C4' energy: -3.920 flat angles P-C4'-P energy: -4.419 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: 6, replica: 6 ===================================== Write number: 57 Temperature: 1.150000 Total energy: -30.112032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.112032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.112032 (E_RNA) where: Base-Base interactions energy: -10.228 where: short stacking energy: -10.228 Base-Backbone interact. energy: -0.004 local terms energy: -19.881002 where: bonds (distance) C4'-P energy: -3.615 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -5.626 flat angles P-C4'-P energy: -3.204 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: 7, replica: 8 ===================================== Write number: 57 Temperature: 1.200000 Total energy: -31.046902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.046902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.046902 (E_RNA) where: Base-Base interactions energy: -11.943 where: short stacking energy: -11.943 Base-Backbone interact. energy: -0.000 local terms energy: -19.103378 where: bonds (distance) C4'-P energy: -4.041 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.480 flat angles P-C4'-P energy: -2.803 tors. eta vs tors. theta energy: -1.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 57 Temperature: 1.250000 Total energy: -27.798641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.798641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.798641 (E_RNA) where: Base-Base interactions energy: -5.843 where: short stacking energy: -5.843 Base-Backbone interact. energy: -0.000 local terms energy: -21.955651 where: bonds (distance) C4'-P energy: -4.423 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -4.390 flat angles P-C4'-P energy: -4.505 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: 9, replica: 10 ===================================== Write number: 57 Temperature: 1.300000 Total energy: -23.601830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.601830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.601830 (E_RNA) where: Base-Base interactions energy: -3.874 where: short stacking energy: -3.874 Base-Backbone interact. energy: -0.006 local terms energy: -19.721989 where: bonds (distance) C4'-P energy: -3.305 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.604 flat angles P-C4'-P energy: -4.569 tors. eta vs tors. theta energy: -0.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 57 Temperature: 1.350000 Total energy: -21.395594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.395594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.395594 (E_RNA) where: Base-Base interactions energy: -1.494 where: short stacking energy: -1.494 Base-Backbone interact. energy: -0.092 local terms energy: -19.809419 where: bonds (distance) C4'-P energy: -3.792 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -5.732 flat angles P-C4'-P energy: -4.957 tors. eta vs tors. theta energy: 0.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 58 Temperature: 0.900000 Total energy: -37.013131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.013131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.013131 (E_RNA) where: Base-Base interactions energy: -16.217 where: short stacking energy: -16.217 Base-Backbone interact. energy: 1.366 local terms energy: -22.161940 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -5.569 flat angles C4'-P-C4' energy: -4.289 flat angles P-C4'-P energy: -3.784 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: 2, replica: 4 ===================================== Write number: 58 Temperature: 0.950000 Total energy: -36.264895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.264895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.264895 (E_RNA) where: Base-Base interactions energy: -13.995 where: short stacking energy: -13.995 Base-Backbone interact. energy: -0.029 local terms energy: -22.240839 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.333 flat angles C4'-P-C4' energy: -2.800 flat angles P-C4'-P energy: -4.018 tors. eta vs tors. theta energy: -4.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 58 Temperature: 1.000000 Total energy: -30.033685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.033685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.033685 (E_RNA) where: Base-Base interactions energy: -7.572 where: short stacking energy: -7.572 Base-Backbone interact. energy: -0.004 local terms energy: -22.457680 where: bonds (distance) C4'-P energy: -4.120 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.482 flat angles P-C4'-P energy: -4.342 tors. eta vs tors. theta energy: -2.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 58 Temperature: 1.050000 Total energy: -29.414117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.414117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.414117 (E_RNA) where: Base-Base interactions energy: -7.101 where: short stacking energy: -7.101 Base-Backbone interact. energy: -0.095 local terms energy: -22.217425 where: bonds (distance) C4'-P energy: -5.275 bonds (distance) P-C4' energy: -5.494 flat angles C4'-P-C4' energy: -5.440 flat angles P-C4'-P energy: -4.328 tors. eta vs tors. theta energy: -1.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 58 Temperature: 1.100000 Total energy: -34.163150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.163150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.163150 (E_RNA) where: Base-Base interactions energy: -13.365 where: short stacking energy: -13.365 Base-Backbone interact. energy: -0.000 local terms energy: -20.798508 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.944 flat angles P-C4'-P energy: -2.941 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: 6, replica: 3 ===================================== Write number: 58 Temperature: 1.150000 Total energy: -30.562375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.562375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.562375 (E_RNA) where: Base-Base interactions energy: -7.946 where: short stacking energy: -7.946 Base-Backbone interact. energy: -0.000 local terms energy: -22.615939 where: bonds (distance) C4'-P energy: -4.911 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.304 flat angles P-C4'-P energy: -1.435 tors. eta vs tors. theta energy: -4.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 58 Temperature: 1.200000 Total energy: -27.178086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.178086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.178086 (E_RNA) where: Base-Base interactions energy: -4.120 where: short stacking energy: -4.120 Base-Backbone interact. energy: -0.000 local terms energy: -23.057817 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -4.244 flat angles C4'-P-C4' energy: -5.658 flat angles P-C4'-P energy: -4.621 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: 8 ===================================== Write number: 58 Temperature: 1.250000 Total energy: -25.793023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.793023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.793023 (E_RNA) where: Base-Base interactions energy: -8.450 where: short stacking energy: -8.450 Base-Backbone interact. energy: -0.000 local terms energy: -17.342994 where: bonds (distance) C4'-P energy: -3.544 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -1.741 flat angles P-C4'-P energy: -4.438 tors. eta vs tors. theta energy: -2.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 58 Temperature: 1.300000 Total energy: -30.750837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.750837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.750837 (E_RNA) where: Base-Base interactions energy: -7.521 where: short stacking energy: -7.521 Base-Backbone interact. energy: -0.000 local terms energy: -23.229825 where: bonds (distance) C4'-P energy: -4.157 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -5.611 flat angles P-C4'-P energy: -4.531 tors. eta vs tors. theta energy: -2.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 58 Temperature: 1.350000 Total energy: -26.652620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.652620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.652620 (E_RNA) where: Base-Base interactions energy: -8.157 where: short stacking energy: -8.157 Base-Backbone interact. energy: -0.003 local terms energy: -18.492674 where: bonds (distance) C4'-P energy: -4.563 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -2.337 flat angles P-C4'-P energy: -3.826 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: 1, replica: 9 ===================================== Write number: 59 Temperature: 0.900000 Total energy: -38.340314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.340314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.340314 (E_RNA) where: Base-Base interactions energy: -16.053 where: short stacking energy: -16.053 Base-Backbone interact. energy: -0.025 local terms energy: -22.262146 where: bonds (distance) C4'-P energy: -4.389 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.515 flat angles P-C4'-P energy: -3.188 tors. eta vs tors. theta energy: -4.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 59 Temperature: 0.950000 Total energy: -30.794538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.794538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.794538 (E_RNA) where: Base-Base interactions energy: -10.758 where: short stacking energy: -10.758 Base-Backbone interact. energy: -0.138 local terms energy: -19.898393 where: bonds (distance) C4'-P energy: -4.315 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -3.500 flat angles P-C4'-P energy: -3.570 tors. eta vs tors. theta energy: -2.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 59 Temperature: 1.000000 Total energy: -29.953311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.953311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.953311 (E_RNA) where: Base-Base interactions energy: -11.445 where: short stacking energy: -11.445 Base-Backbone interact. energy: -0.098 local terms energy: -18.410420 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -5.117 flat angles P-C4'-P energy: -2.646 tors. eta vs tors. theta energy: -0.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 59 Temperature: 1.050000 Total energy: -31.529049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.529049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.529049 (E_RNA) where: Base-Base interactions energy: -12.195 where: short stacking energy: -12.195 Base-Backbone interact. energy: -0.031 local terms energy: -19.303164 where: bonds (distance) C4'-P energy: -4.361 bonds (distance) P-C4' energy: -2.948 flat angles C4'-P-C4' energy: -5.095 flat angles P-C4'-P energy: -4.380 tors. eta vs tors. theta energy: -2.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 59 Temperature: 1.100000 Total energy: -30.031599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.031599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.031599 (E_RNA) where: Base-Base interactions energy: -8.038 where: short stacking energy: -8.038 Base-Backbone interact. energy: -0.012 local terms energy: -21.982034 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -5.421 flat angles P-C4'-P energy: -3.862 tors. eta vs tors. theta energy: -1.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 59 Temperature: 1.150000 Total energy: -27.528307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.528307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.528307 (E_RNA) where: Base-Base interactions energy: -6.538 where: short stacking energy: -6.538 Base-Backbone interact. energy: -0.007 local terms energy: -20.983113 where: bonds (distance) C4'-P energy: -4.555 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -5.009 flat angles P-C4'-P energy: -3.058 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: 7, replica: 3 ===================================== Write number: 59 Temperature: 1.200000 Total energy: -29.612719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.612719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.612719 (E_RNA) where: Base-Base interactions energy: -10.554 where: short stacking energy: -10.554 Base-Backbone interact. energy: -0.100 local terms energy: -18.958686 where: bonds (distance) C4'-P energy: -3.809 bonds (distance) P-C4' energy: -5.004 flat angles C4'-P-C4' energy: -4.712 flat angles P-C4'-P energy: -2.622 tors. eta vs tors. theta energy: -2.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 59 Temperature: 1.250000 Total energy: -26.722167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.722167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.722167 (E_RNA) where: Base-Base interactions energy: -10.630 where: short stacking energy: -10.630 Base-Backbone interact. energy: -0.084 local terms energy: -16.008095 where: bonds (distance) C4'-P energy: -3.946 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -1.491 flat angles P-C4'-P energy: -3.178 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: 9, replica: 8 ===================================== Write number: 59 Temperature: 1.300000 Total energy: -27.124283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.124283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.124283 (E_RNA) where: Base-Base interactions energy: -11.497 where: short stacking energy: -11.582 Base-Backbone interact. energy: -0.000 local terms energy: -15.627077 where: bonds (distance) C4'-P energy: -4.493 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -3.673 flat angles P-C4'-P energy: 3.176 tors. eta vs tors. theta energy: -4.645 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: 10, replica: 10 ===================================== Write number: 59 Temperature: 1.350000 Total energy: -22.432185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.432185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.432185 (E_RNA) where: Base-Base interactions energy: -3.651 where: short stacking energy: -3.651 Base-Backbone interact. energy: -0.000 local terms energy: -18.780532 where: bonds (distance) C4'-P energy: -5.010 bonds (distance) P-C4' energy: -4.414 flat angles C4'-P-C4' energy: -3.559 flat angles P-C4'-P energy: -4.005 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: 1, replica: 4 ===================================== Write number: 60 Temperature: 0.900000 Total energy: -35.060416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.060416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.060416 (E_RNA) where: Base-Base interactions energy: -12.103 where: short stacking energy: -12.103 Base-Backbone interact. energy: -0.100 local terms energy: -22.857401 where: bonds (distance) C4'-P energy: -4.637 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.772 flat angles P-C4'-P energy: -3.571 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: 2, replica: 9 ===================================== Write number: 60 Temperature: 0.950000 Total energy: -27.560585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.560585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.560585 (E_RNA) where: Base-Base interactions energy: -7.545 where: short stacking energy: -7.545 Base-Backbone interact. energy: -0.011 local terms energy: -20.004840 where: bonds (distance) C4'-P energy: -4.132 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -5.485 flat angles P-C4'-P energy: -4.281 tors. eta vs tors. theta energy: -0.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 60 Temperature: 1.000000 Total energy: -36.407730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.407730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.407730 (E_RNA) where: Base-Base interactions energy: -14.633 where: short stacking energy: -14.633 Base-Backbone interact. energy: -0.000 local terms energy: -21.774283 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -5.001 flat angles C4'-P-C4' energy: -4.988 flat angles P-C4'-P energy: -2.614 tors. eta vs tors. theta energy: -4.651 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: 4, replica: 2 ===================================== Write number: 60 Temperature: 1.050000 Total energy: -32.037492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.037492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.037492 (E_RNA) where: Base-Base interactions energy: -10.980 where: short stacking energy: -10.980 Base-Backbone interact. energy: -0.000 local terms energy: -21.057767 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -5.012 flat angles P-C4'-P energy: -2.375 tors. eta vs tors. theta energy: -2.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 60 Temperature: 1.100000 Total energy: -26.937101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.937101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.937101 (E_RNA) where: Base-Base interactions energy: -7.304 where: short stacking energy: -7.304 Base-Backbone interact. energy: -0.000 local terms energy: -19.632957 where: bonds (distance) C4'-P energy: -4.513 bonds (distance) P-C4' energy: -4.976 flat angles C4'-P-C4' energy: -5.167 flat angles P-C4'-P energy: -3.750 tors. eta vs tors. theta energy: -1.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 60 Temperature: 1.150000 Total energy: -27.328591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.328591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.328591 (E_RNA) where: Base-Base interactions energy: -8.996 where: short stacking energy: -8.996 Base-Backbone interact. energy: -0.000 local terms energy: -18.332722 where: bonds (distance) C4'-P energy: -1.937 bonds (distance) P-C4' energy: -5.258 flat angles C4'-P-C4' energy: -5.128 flat angles P-C4'-P energy: -3.573 tors. eta vs tors. theta energy: -2.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 60 Temperature: 1.200000 Total energy: -28.390356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.390356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.390356 (E_RNA) where: Base-Base interactions energy: -7.490 where: short stacking energy: -7.490 Base-Backbone interact. energy: -0.001 local terms energy: -20.899723 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -4.807 flat angles C4'-P-C4' energy: -5.588 flat angles P-C4'-P energy: -2.609 tors. eta vs tors. theta energy: -2.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 60 Temperature: 1.250000 Total energy: -28.722766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.722766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.722766 (E_RNA) where: Base-Base interactions energy: -7.255 where: short stacking energy: -7.255 Base-Backbone interact. energy: -0.015 local terms energy: -21.452711 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.046 flat angles P-C4'-P energy: -3.596 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: 9, replica: 10 ===================================== Write number: 60 Temperature: 1.300000 Total energy: -23.598351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.598351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.598351 (E_RNA) where: Base-Base interactions energy: -4.554 where: short stacking energy: -4.554 Base-Backbone interact. energy: -0.013 local terms energy: -19.031979 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.516 flat angles C4'-P-C4' energy: -5.642 flat angles P-C4'-P energy: -3.860 tors. eta vs tors. theta energy: 1.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 60 Temperature: 1.350000 Total energy: -28.646017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.646017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.646017 (E_RNA) where: Base-Base interactions energy: -10.937 where: short stacking energy: -10.937 Base-Backbone interact. energy: -0.000 local terms energy: -17.708504 where: bonds (distance) C4'-P energy: -3.809 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -2.778 flat angles P-C4'-P energy: -2.664 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: 4 ===================================== Write number: 61 Temperature: 0.900000 Total energy: -29.634492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.634492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.634492 (E_RNA) where: Base-Base interactions energy: -9.683 where: short stacking energy: -9.683 Base-Backbone interact. energy: -0.050 local terms energy: -19.900756 where: bonds (distance) C4'-P energy: -4.617 bonds (distance) P-C4' energy: -3.987 flat angles C4'-P-C4' energy: -3.706 flat angles P-C4'-P energy: -4.330 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: 9 ===================================== Write number: 61 Temperature: 0.950000 Total energy: -30.657428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.657428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.657428 (E_RNA) where: Base-Base interactions energy: -8.615 where: short stacking energy: -8.615 Base-Backbone interact. energy: -0.001 local terms energy: -22.041207 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -5.091 flat angles P-C4'-P energy: -4.505 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: 6 ===================================== Write number: 61 Temperature: 1.000000 Total energy: -35.509758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.509758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.509758 (E_RNA) where: Base-Base interactions energy: -13.065 where: short stacking energy: -13.065 Base-Backbone interact. energy: -0.003 local terms energy: -22.441438 where: bonds (distance) C4'-P energy: -3.830 bonds (distance) P-C4' energy: -5.494 flat angles C4'-P-C4' energy: -4.990 flat angles P-C4'-P energy: -3.374 tors. eta vs tors. theta energy: -4.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 61 Temperature: 1.050000 Total energy: -28.079947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.079947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.079947 (E_RNA) where: Base-Base interactions energy: -10.516 where: short stacking energy: -10.516 Base-Backbone interact. energy: -0.082 local terms energy: -17.481903 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -4.406 flat angles C4'-P-C4' energy: -4.424 flat angles P-C4'-P energy: -1.446 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: 5, replica: 2 ===================================== Write number: 61 Temperature: 1.100000 Total energy: -30.665893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.665893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.665893 (E_RNA) where: Base-Base interactions energy: -10.867 where: short stacking energy: -10.867 Base-Backbone interact. energy: -0.000 local terms energy: -19.799291 where: bonds (distance) C4'-P energy: -5.089 bonds (distance) P-C4' energy: -5.234 flat angles C4'-P-C4' energy: -4.471 flat angles P-C4'-P energy: -1.750 tors. eta vs tors. theta energy: -3.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 61 Temperature: 1.150000 Total energy: -29.350353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.350353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.350353 (E_RNA) where: Base-Base interactions energy: -10.424 where: short stacking energy: -10.424 Base-Backbone interact. energy: -0.001 local terms energy: -18.925206 where: bonds (distance) C4'-P energy: -4.377 bonds (distance) P-C4' energy: -3.835 flat angles C4'-P-C4' energy: -4.726 flat angles P-C4'-P energy: -3.669 tors. eta vs tors. theta energy: -2.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 61 Temperature: 1.200000 Total energy: -27.591430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.591430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.591430 (E_RNA) where: Base-Base interactions energy: -8.156 where: short stacking energy: -8.156 Base-Backbone interact. energy: -0.099 local terms energy: -19.336020 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -4.832 flat angles C4'-P-C4' energy: -4.335 flat angles P-C4'-P energy: -3.038 tors. eta vs tors. theta energy: -1.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 61 Temperature: 1.250000 Total energy: -26.810784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.810784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.810784 (E_RNA) where: Base-Base interactions energy: -8.941 where: short stacking energy: -8.941 Base-Backbone interact. energy: -0.018 local terms energy: -17.851595 where: bonds (distance) C4'-P energy: -3.684 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.338 flat angles P-C4'-P energy: -1.898 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: 9, replica: 3 ===================================== Write number: 61 Temperature: 1.300000 Total energy: -27.827461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.827461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.827461 (E_RNA) where: Base-Base interactions energy: -7.829 where: short stacking energy: -7.829 Base-Backbone interact. energy: -0.000 local terms energy: -19.998059 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -4.992 flat angles P-C4'-P energy: -3.429 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: 10, replica: 8 ===================================== Write number: 61 Temperature: 1.350000 Total energy: -23.288341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.288341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.288341 (E_RNA) where: Base-Base interactions energy: -8.080 where: short stacking energy: -8.080 Base-Backbone interact. energy: -0.002 local terms energy: -15.206472 where: bonds (distance) C4'-P energy: -4.413 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -1.805 flat angles P-C4'-P energy: -2.276 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: 9 ===================================== Write number: 62 Temperature: 0.900000 Total energy: -36.417523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.417523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.417523 (E_RNA) where: Base-Base interactions energy: -16.322 where: short stacking energy: -16.322 Base-Backbone interact. energy: -0.000 local terms energy: -20.095990 where: bonds (distance) C4'-P energy: -4.335 bonds (distance) P-C4' energy: -5.072 flat angles C4'-P-C4' energy: -4.797 flat angles P-C4'-P energy: -2.621 tors. eta vs tors. theta energy: -3.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 62 Temperature: 0.950000 Total energy: -29.734314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.734314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.734314 (E_RNA) where: Base-Base interactions energy: -9.307 where: short stacking energy: -9.307 Base-Backbone interact. energy: -0.000 local terms energy: -20.427150 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -4.177 flat angles P-C4'-P energy: -0.923 tors. eta vs tors. theta energy: -4.502 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: 5 ===================================== Write number: 62 Temperature: 1.000000 Total energy: -35.065865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.065865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.065865 (E_RNA) where: Base-Base interactions energy: -11.008 where: short stacking energy: -11.008 Base-Backbone interact. energy: -0.000 local terms energy: -24.058178 where: bonds (distance) C4'-P energy: -4.041 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -5.187 flat angles P-C4'-P energy: -3.422 tors. eta vs tors. theta energy: -6.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 62 Temperature: 1.050000 Total energy: -29.957969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.957969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.957969 (E_RNA) where: Base-Base interactions energy: -11.883 where: short stacking energy: -11.883 Base-Backbone interact. energy: -0.000 local terms energy: -18.075220 where: bonds (distance) C4'-P energy: -5.159 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -4.754 flat angles P-C4'-P energy: -0.776 tors. eta vs tors. theta energy: -1.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 62 Temperature: 1.100000 Total energy: -27.223844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.223844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.223844 (E_RNA) where: Base-Base interactions energy: -5.654 where: short stacking energy: -5.654 Base-Backbone interact. energy: -0.024 local terms energy: -21.546083 where: bonds (distance) C4'-P energy: -4.128 bonds (distance) P-C4' energy: -5.516 flat angles C4'-P-C4' energy: -4.689 flat angles P-C4'-P energy: -4.378 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: 2 ===================================== Write number: 62 Temperature: 1.150000 Total energy: -27.434038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.434038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.434038 (E_RNA) where: Base-Base interactions energy: -10.291 where: short stacking energy: -10.291 Base-Backbone interact. energy: -0.013 local terms energy: -17.129619 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -2.722 flat angles C4'-P-C4' energy: -3.774 flat angles P-C4'-P energy: -3.636 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: 10 ===================================== Write number: 62 Temperature: 1.200000 Total energy: -32.538702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.538702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.538702 (E_RNA) where: Base-Base interactions energy: -13.522 where: short stacking energy: -13.522 Base-Backbone interact. energy: -0.000 local terms energy: -19.016836 where: bonds (distance) C4'-P energy: -3.668 bonds (distance) P-C4' energy: -4.534 flat angles C4'-P-C4' energy: -4.271 flat angles P-C4'-P energy: -2.455 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: 8, replica: 7 ===================================== Write number: 62 Temperature: 1.250000 Total energy: -25.443026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.443026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.443026 (E_RNA) where: Base-Base interactions energy: -7.328 where: short stacking energy: -7.328 Base-Backbone interact. energy: -0.000 local terms energy: -18.114500 where: bonds (distance) C4'-P energy: -3.536 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -1.033 flat angles P-C4'-P energy: -3.847 tors. eta vs tors. theta energy: -3.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 62 Temperature: 1.300000 Total energy: -24.467896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.467896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.467896 (E_RNA) where: Base-Base interactions energy: -6.560 where: short stacking energy: -6.560 Base-Backbone interact. energy: -0.002 local terms energy: -17.906748 where: bonds (distance) C4'-P energy: -3.537 bonds (distance) P-C4' energy: -4.681 flat angles C4'-P-C4' energy: -4.548 flat angles P-C4'-P energy: -3.379 tors. eta vs tors. theta energy: -1.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 62 Temperature: 1.350000 Total energy: -27.145308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.145308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.145308 (E_RNA) where: Base-Base interactions energy: -7.697 where: short stacking energy: -7.697 Base-Backbone interact. energy: -0.000 local terms energy: -19.447803 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -4.709 flat angles C4'-P-C4' energy: -3.845 flat angles P-C4'-P energy: -4.455 tors. eta vs tors. theta energy: -1.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 63 Temperature: 0.900000 Total energy: -36.376785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.376785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.376785 (E_RNA) where: Base-Base interactions energy: -13.474 where: short stacking energy: -13.474 Base-Backbone interact. energy: -0.000 local terms energy: -22.903035 where: bonds (distance) C4'-P energy: -4.563 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -4.238 flat angles P-C4'-P energy: -2.535 tors. eta vs tors. theta energy: -5.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 63 Temperature: 0.950000 Total energy: -29.658692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.658692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.658692 (E_RNA) where: Base-Base interactions energy: -7.557 where: short stacking energy: -7.557 Base-Backbone interact. energy: -0.093 local terms energy: -22.008731 where: bonds (distance) C4'-P energy: -4.485 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -5.609 flat angles P-C4'-P energy: -3.917 tors. eta vs tors. theta energy: -2.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 63 Temperature: 1.000000 Total energy: -34.019994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.019994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.019994 (E_RNA) where: Base-Base interactions energy: -11.238 where: short stacking energy: -11.238 Base-Backbone interact. energy: -0.001 local terms energy: -22.781599 where: bonds (distance) C4'-P energy: -5.196 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -4.759 flat angles P-C4'-P energy: -4.316 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: 1 ===================================== Write number: 63 Temperature: 1.050000 Total energy: -34.480692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.480692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.480692 (E_RNA) where: Base-Base interactions energy: -11.651 where: short stacking energy: -11.651 Base-Backbone interact. energy: -0.000 local terms energy: -22.830019 where: bonds (distance) C4'-P energy: -3.359 bonds (distance) P-C4' energy: -4.649 flat angles C4'-P-C4' energy: -4.886 flat angles P-C4'-P energy: -4.549 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: 5, replica: 6 ===================================== Write number: 63 Temperature: 1.100000 Total energy: -27.894844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.894844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.894844 (E_RNA) where: Base-Base interactions energy: -7.456 where: short stacking energy: -7.456 Base-Backbone interact. energy: -0.000 local terms energy: -20.438604 where: bonds (distance) C4'-P energy: -4.617 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -4.252 flat angles P-C4'-P energy: -2.261 tors. eta vs tors. theta energy: -4.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 63 Temperature: 1.150000 Total energy: -35.038823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.038823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.038823 (E_RNA) where: Base-Base interactions energy: -14.387 where: short stacking energy: -14.387 Base-Backbone interact. energy: -0.000 local terms energy: -20.652155 where: bonds (distance) C4'-P energy: -4.120 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.194 flat angles P-C4'-P energy: -1.624 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: 7, replica: 2 ===================================== Write number: 63 Temperature: 1.200000 Total energy: -31.920345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.920345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.920345 (E_RNA) where: Base-Base interactions energy: -11.474 where: short stacking energy: -11.474 Base-Backbone interact. energy: -0.024 local terms energy: -20.421562 where: bonds (distance) C4'-P energy: -4.281 bonds (distance) P-C4' energy: -5.001 flat angles C4'-P-C4' energy: -3.987 flat angles P-C4'-P energy: -2.942 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: 8, replica: 8 ===================================== Write number: 63 Temperature: 1.250000 Total energy: -25.934641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.934641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.934641 (E_RNA) where: Base-Base interactions energy: -7.959 where: short stacking energy: -7.959 Base-Backbone interact. energy: -0.035 local terms energy: -17.941357 where: bonds (distance) C4'-P energy: -4.413 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -3.035 flat angles P-C4'-P energy: -2.824 tors. eta vs tors. theta energy: -2.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 63 Temperature: 1.300000 Total energy: -28.383925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.383925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.383925 (E_RNA) where: Base-Base interactions energy: -6.985 where: short stacking energy: -6.985 Base-Backbone interact. energy: -0.000 local terms energy: -21.398798 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -5.519 flat angles P-C4'-P energy: -3.674 tors. eta vs tors. theta energy: -1.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 63 Temperature: 1.350000 Total energy: -23.458780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.458780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.458780 (E_RNA) where: Base-Base interactions energy: -4.145 where: short stacking energy: -4.145 Base-Backbone interact. energy: -0.073 local terms energy: -19.240870 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.187 flat angles P-C4'-P energy: -3.725 tors. eta vs tors. theta energy: -0.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 64 Temperature: 0.900000 Total energy: -34.739263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.739263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.739263 (E_RNA) where: Base-Base interactions energy: -12.162 where: short stacking energy: -12.162 Base-Backbone interact. energy: -0.061 local terms energy: -22.516723 where: bonds (distance) C4'-P energy: -4.841 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.354 flat angles P-C4'-P energy: -4.365 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: 2, replica: 9 ===================================== Write number: 64 Temperature: 0.950000 Total energy: -29.585510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.585510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.585510 (E_RNA) where: Base-Base interactions energy: -12.749 where: short stacking energy: -12.749 Base-Backbone interact. energy: -0.042 local terms energy: -16.794362 where: bonds (distance) C4'-P energy: -4.981 bonds (distance) P-C4' energy: -4.709 flat angles C4'-P-C4' energy: -1.970 flat angles P-C4'-P energy: -2.808 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: 3, replica: 1 ===================================== Write number: 64 Temperature: 1.000000 Total energy: -25.877287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.877287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.877287 (E_RNA) where: Base-Base interactions energy: -5.631 where: short stacking energy: -5.631 Base-Backbone interact. energy: -0.000 local terms energy: -20.246305 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -3.504 flat angles P-C4'-P energy: -3.282 tors. eta vs tors. theta energy: -2.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 64 Temperature: 1.050000 Total energy: -29.895923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.895923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.895923 (E_RNA) where: Base-Base interactions energy: -10.064 where: short stacking energy: -10.064 Base-Backbone interact. energy: -0.000 local terms energy: -19.831842 where: bonds (distance) C4'-P energy: -4.244 bonds (distance) P-C4' energy: -5.724 flat angles C4'-P-C4' energy: -5.378 flat angles P-C4'-P energy: -0.249 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: 5, replica: 10 ===================================== Write number: 64 Temperature: 1.100000 Total energy: -24.121810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.121810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.121810 (E_RNA) where: Base-Base interactions energy: -6.330 where: short stacking energy: -6.330 Base-Backbone interact. energy: -0.000 local terms energy: -17.792004 where: bonds (distance) C4'-P energy: -4.617 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -2.924 flat angles P-C4'-P energy: -2.454 tors. eta vs tors. theta energy: -2.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 64 Temperature: 1.150000 Total energy: -27.673887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.673887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.673887 (E_RNA) where: Base-Base interactions energy: -8.868 where: short stacking energy: -8.868 Base-Backbone interact. energy: -0.000 local terms energy: -18.805442 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -2.156 flat angles P-C4'-P energy: -3.118 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: 7, replica: 8 ===================================== Write number: 64 Temperature: 1.200000 Total energy: -28.184424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.184424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.184424 (E_RNA) where: Base-Base interactions energy: -11.879 where: short stacking energy: -11.879 Base-Backbone interact. energy: -0.059 local terms energy: -16.246336 where: bonds (distance) C4'-P energy: -1.971 bonds (distance) P-C4' energy: -4.688 flat angles C4'-P-C4' energy: -5.504 flat angles P-C4'-P energy: -3.651 tors. eta vs tors. theta energy: -0.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 64 Temperature: 1.250000 Total energy: -25.302735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.302735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.302735 (E_RNA) where: Base-Base interactions energy: -7.714 where: short stacking energy: -7.714 Base-Backbone interact. energy: -0.097 local terms energy: -17.491790 where: bonds (distance) C4'-P energy: -4.547 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.518 flat angles P-C4'-P energy: -1.126 tors. eta vs tors. theta energy: -0.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 64 Temperature: 1.300000 Total energy: -28.706136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.706136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.706136 (E_RNA) where: Base-Base interactions energy: -7.759 where: short stacking energy: -7.759 Base-Backbone interact. energy: -0.000 local terms energy: -20.947055 where: bonds (distance) C4'-P energy: -4.405 bonds (distance) P-C4' energy: -5.522 flat angles C4'-P-C4' energy: -4.390 flat angles P-C4'-P energy: -1.699 tors. eta vs tors. theta energy: -4.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 64 Temperature: 1.350000 Total energy: -21.812265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.812265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.812265 (E_RNA) where: Base-Base interactions energy: -4.819 where: short stacking energy: -4.819 Base-Backbone interact. energy: -0.276 local terms energy: -16.716724 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -4.342 flat angles P-C4'-P energy: -3.619 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: 5 ===================================== Write number: 65 Temperature: 0.900000 Total energy: -38.289411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.289411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.289411 (E_RNA) where: Base-Base interactions energy: -14.962 where: short stacking energy: -14.962 Base-Backbone interact. energy: -0.111 local terms energy: -23.216281 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.592 flat angles P-C4'-P energy: -2.691 tors. eta vs tors. theta energy: -4.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 65 Temperature: 0.950000 Total energy: -27.917594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.917594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.917594 (E_RNA) where: Base-Base interactions energy: -8.336 where: short stacking energy: -8.336 Base-Backbone interact. energy: -0.098 local terms energy: -19.483824 where: bonds (distance) C4'-P energy: -4.547 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.353 flat angles P-C4'-P energy: -3.300 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: 3, replica: 1 ===================================== Write number: 65 Temperature: 1.000000 Total energy: -30.294666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.294666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.294666 (E_RNA) where: Base-Base interactions energy: -10.251 where: short stacking energy: -10.251 Base-Backbone interact. energy: -0.000 local terms energy: -20.043454 where: bonds (distance) C4'-P energy: -5.010 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -3.126 flat angles P-C4'-P energy: -3.289 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: 4, replica: 10 ===================================== Write number: 65 Temperature: 1.050000 Total energy: -33.929349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.929349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.929349 (E_RNA) where: Base-Base interactions energy: -12.275 where: short stacking energy: -12.275 Base-Backbone interact. energy: -0.000 local terms energy: -21.653956 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -4.940 flat angles P-C4'-P energy: -3.372 tors. eta vs tors. theta energy: -2.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 65 Temperature: 1.100000 Total energy: -33.743993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.743993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.743993 (E_RNA) where: Base-Base interactions energy: -12.298 where: short stacking energy: -12.298 Base-Backbone interact. energy: -0.000 local terms energy: -21.446338 where: bonds (distance) C4'-P energy: -2.890 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.505 flat angles P-C4'-P energy: -4.362 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: 8 ===================================== Write number: 65 Temperature: 1.150000 Total energy: -31.679384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.679384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.679384 (E_RNA) where: Base-Base interactions energy: -11.275 where: short stacking energy: -11.275 Base-Backbone interact. energy: -0.056 local terms energy: -20.347713 where: bonds (distance) C4'-P energy: -3.259 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -4.388 flat angles P-C4'-P energy: -4.171 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: 7, replica: 6 ===================================== Write number: 65 Temperature: 1.200000 Total energy: -30.407105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.407105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.407105 (E_RNA) where: Base-Base interactions energy: -9.817 where: short stacking energy: -9.817 Base-Backbone interact. energy: -0.006 local terms energy: -20.584270 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -3.953 flat angles P-C4'-P energy: -1.977 tors. eta vs tors. theta energy: -3.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 65 Temperature: 1.250000 Total energy: -33.437381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.437381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.437381 (E_RNA) where: Base-Base interactions energy: -10.971 where: short stacking energy: -10.971 Base-Backbone interact. energy: -0.000 local terms energy: -22.466802 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.621 flat angles P-C4'-P energy: -3.614 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: 2 ===================================== Write number: 65 Temperature: 1.300000 Total energy: -24.731222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.731222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.731222 (E_RNA) where: Base-Base interactions energy: -8.700 where: short stacking energy: -8.700 Base-Backbone interact. energy: -0.138 local terms energy: -15.893644 where: bonds (distance) C4'-P energy: -4.199 bonds (distance) P-C4' energy: -5.206 flat angles C4'-P-C4' energy: -4.268 flat angles P-C4'-P energy: -2.827 tors. eta vs tors. theta energy: 0.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 65 Temperature: 1.350000 Total energy: -27.853775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.853775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.853775 (E_RNA) where: Base-Base interactions energy: -7.954 where: short stacking energy: -7.136 Base-Backbone interact. energy: -0.091 local terms energy: -19.808713 where: bonds (distance) C4'-P energy: -2.315 bonds (distance) P-C4' energy: -4.342 flat angles C4'-P-C4' energy: -5.244 flat angles P-C4'-P energy: -4.007 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: 1, replica: 9 ===================================== Write number: 66 Temperature: 0.900000 Total energy: -34.047476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.047476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.047476 (E_RNA) where: Base-Base interactions energy: -11.402 where: short stacking energy: -11.402 Base-Backbone interact. energy: -0.001 local terms energy: -22.644904 where: bonds (distance) C4'-P energy: -3.046 bonds (distance) P-C4' energy: -5.029 flat angles C4'-P-C4' energy: -5.248 flat angles P-C4'-P energy: -4.346 tors. eta vs tors. theta energy: -4.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 66 Temperature: 0.950000 Total energy: -35.929464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.929464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.929464 (E_RNA) where: Base-Base interactions energy: -10.386 where: short stacking energy: -10.386 Base-Backbone interact. energy: -0.000 local terms energy: -25.543892 where: bonds (distance) C4'-P energy: -4.989 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -5.222 flat angles P-C4'-P energy: -4.291 tors. eta vs tors. theta energy: -5.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 66 Temperature: 1.000000 Total energy: -31.809130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.809130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.809130 (E_RNA) where: Base-Base interactions energy: -11.899 where: short stacking energy: -11.899 Base-Backbone interact. energy: -0.002 local terms energy: -19.908295 where: bonds (distance) C4'-P energy: -4.140 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -3.915 flat angles P-C4'-P energy: -4.464 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: 4, replica: 1 ===================================== Write number: 66 Temperature: 1.050000 Total energy: -31.334229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.334229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.334229 (E_RNA) where: Base-Base interactions energy: -10.688 where: short stacking energy: -10.688 Base-Backbone interact. energy: -0.000 local terms energy: -20.645736 where: bonds (distance) C4'-P energy: -3.127 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.188 flat angles P-C4'-P energy: -4.635 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: 5, replica: 8 ===================================== Write number: 66 Temperature: 1.100000 Total energy: -30.701395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.701395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.701395 (E_RNA) where: Base-Base interactions energy: -11.032 where: short stacking energy: -11.032 Base-Backbone interact. energy: -0.020 local terms energy: -19.648978 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -2.951 flat angles C4'-P-C4' energy: -4.862 flat angles P-C4'-P energy: -4.025 tors. eta vs tors. theta energy: -2.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 66 Temperature: 1.150000 Total energy: -28.100545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.100545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.100545 (E_RNA) where: Base-Base interactions energy: -8.286 where: short stacking energy: -8.286 Base-Backbone interact. energy: -0.007 local terms energy: -19.807120 where: bonds (distance) C4'-P energy: -3.480 bonds (distance) P-C4' energy: -4.976 flat angles C4'-P-C4' energy: -5.164 flat angles P-C4'-P energy: -4.052 tors. eta vs tors. theta energy: -2.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 66 Temperature: 1.200000 Total energy: -22.979938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.979938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.979938 (E_RNA) where: Base-Base interactions energy: -2.641 where: short stacking energy: -2.641 Base-Backbone interact. energy: -0.000 local terms energy: -20.338602 where: bonds (distance) C4'-P energy: -4.157 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -5.642 flat angles P-C4'-P energy: -3.133 tors. eta vs tors. theta energy: -1.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 66 Temperature: 1.250000 Total energy: -24.687844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.687844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.687844 (E_RNA) where: Base-Base interactions energy: -5.863 where: short stacking energy: -5.863 Base-Backbone interact. energy: -0.000 local terms energy: -18.824428 where: bonds (distance) C4'-P energy: -3.752 bonds (distance) P-C4' energy: -5.522 flat angles C4'-P-C4' energy: -4.710 flat angles P-C4'-P energy: -3.505 tors. eta vs tors. theta energy: -1.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 66 Temperature: 1.300000 Total energy: -23.500163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.500163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.500163 (E_RNA) where: Base-Base interactions energy: -9.166 where: short stacking energy: -9.166 Base-Backbone interact. energy: -0.080 local terms energy: -14.254388 where: bonds (distance) C4'-P energy: -2.816 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -3.242 flat angles P-C4'-P energy: 0.025 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: 10, replica: 2 ===================================== Write number: 66 Temperature: 1.350000 Total energy: -28.518438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.518438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.518438 (E_RNA) where: Base-Base interactions energy: -11.098 where: short stacking energy: -11.098 Base-Backbone interact. energy: -0.000 local terms energy: -17.420765 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -1.873 flat angles P-C4'-P energy: -2.835 tors. eta vs tors. theta energy: -1.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 67 Temperature: 0.900000 Total energy: -34.030334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.030334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.030334 (E_RNA) where: Base-Base interactions energy: -12.426 where: short stacking energy: -12.426 Base-Backbone interact. energy: -0.204 local terms energy: -21.400078 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -5.759 flat angles C4'-P-C4' energy: -5.463 flat angles P-C4'-P energy: -3.595 tors. eta vs tors. theta energy: -1.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 67 Temperature: 0.950000 Total energy: -33.461612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.461612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.461612 (E_RNA) where: Base-Base interactions energy: -13.615 where: short stacking energy: -13.615 Base-Backbone interact. energy: -0.000 local terms energy: -19.846152 where: bonds (distance) C4'-P energy: -3.814 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -2.997 flat angles P-C4'-P energy: -2.690 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: 3, replica: 10 ===================================== Write number: 67 Temperature: 1.000000 Total energy: -36.029289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.029289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.029289 (E_RNA) where: Base-Base interactions energy: -13.359 where: short stacking energy: -13.359 Base-Backbone interact. energy: -0.000 local terms energy: -22.670469 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.072 flat angles C4'-P-C4' energy: -4.101 flat angles P-C4'-P energy: -3.113 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: 4, replica: 8 ===================================== Write number: 67 Temperature: 1.050000 Total energy: -34.960831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.960831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.960831 (E_RNA) where: Base-Base interactions energy: -14.010 where: short stacking energy: -14.010 Base-Backbone interact. energy: -0.000 local terms energy: -20.950513 where: bonds (distance) C4'-P energy: -4.637 bonds (distance) P-C4' energy: -4.410 flat angles C4'-P-C4' energy: -4.816 flat angles P-C4'-P energy: -4.400 tors. eta vs tors. theta energy: -2.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 67 Temperature: 1.100000 Total energy: -29.340579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.340579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.340579 (E_RNA) where: Base-Base interactions energy: -11.015 where: short stacking energy: -11.015 Base-Backbone interact. energy: -0.108 local terms energy: -18.217679 where: bonds (distance) C4'-P energy: -3.536 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -5.027 flat angles P-C4'-P energy: -3.333 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: 6, replica: 3 ===================================== Write number: 67 Temperature: 1.150000 Total energy: -31.396086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.396086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.396086 (E_RNA) where: Base-Base interactions energy: -7.490 where: short stacking energy: -7.490 Base-Backbone interact. energy: -0.000 local terms energy: -23.906408 where: bonds (distance) C4'-P energy: -3.925 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.255 flat angles P-C4'-P energy: -3.672 tors. eta vs tors. theta energy: -4.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 67 Temperature: 1.200000 Total energy: -25.067570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.067570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.067570 (E_RNA) where: Base-Base interactions energy: -7.950 where: short stacking energy: -7.950 Base-Backbone interact. energy: -0.001 local terms energy: -17.116989 where: bonds (distance) C4'-P energy: -3.234 bonds (distance) P-C4' energy: -3.759 flat angles C4'-P-C4' energy: -4.201 flat angles P-C4'-P energy: -3.888 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: 8, replica: 7 ===================================== Write number: 67 Temperature: 1.250000 Total energy: -30.861053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.861053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.861053 (E_RNA) where: Base-Base interactions energy: -11.258 where: short stacking energy: -11.258 Base-Backbone interact. energy: -0.001 local terms energy: -19.601772 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -4.780 flat angles C4'-P-C4' energy: -3.656 flat angles P-C4'-P energy: -3.074 tors. eta vs tors. theta energy: -3.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 67 Temperature: 1.300000 Total energy: -31.333424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.333424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.333424 (E_RNA) where: Base-Base interactions energy: -14.762 where: short stacking energy: -14.762 Base-Backbone interact. energy: -0.000 local terms energy: -16.571747 where: bonds (distance) C4'-P energy: -3.792 bonds (distance) P-C4' energy: -4.057 flat angles C4'-P-C4' energy: -3.598 flat angles P-C4'-P energy: -2.610 tors. eta vs tors. theta energy: -2.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 67 Temperature: 1.350000 Total energy: -32.332565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.332565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.332565 (E_RNA) where: Base-Base interactions energy: -14.044 where: short stacking energy: -14.044 Base-Backbone interact. energy: -0.000 local terms energy: -18.288981 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -3.168 flat angles P-C4'-P energy: 0.198 tors. eta vs tors. theta energy: -4.339 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: 5 ===================================== Write number: 68 Temperature: 0.900000 Total energy: -35.364121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.364121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.364121 (E_RNA) where: Base-Base interactions energy: -11.739 where: short stacking energy: -11.739 Base-Backbone interact. energy: -0.088 local terms energy: -23.536365 where: bonds (distance) C4'-P energy: -3.676 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -5.501 flat angles P-C4'-P energy: -4.361 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: 2, replica: 9 ===================================== Write number: 68 Temperature: 0.950000 Total energy: -32.830458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.830458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.830458 (E_RNA) where: Base-Base interactions energy: -11.722 where: short stacking energy: -11.722 Base-Backbone interact. energy: -0.000 local terms energy: -21.108716 where: bonds (distance) C4'-P energy: -5.391 bonds (distance) P-C4' energy: -4.357 flat angles C4'-P-C4' energy: -4.890 flat angles P-C4'-P energy: -3.485 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: 3, replica: 8 ===================================== Write number: 68 Temperature: 1.000000 Total energy: -27.570866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.570866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.570866 (E_RNA) where: Base-Base interactions energy: -7.819 where: short stacking energy: -7.819 Base-Backbone interact. energy: -0.001 local terms energy: -19.750540 where: bonds (distance) C4'-P energy: -3.756 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.095 flat angles P-C4'-P energy: -4.152 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: 4, replica: 10 ===================================== Write number: 68 Temperature: 1.050000 Total energy: -28.223619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.223619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.223619 (E_RNA) where: Base-Base interactions energy: -7.926 where: short stacking energy: -7.926 Base-Backbone interact. energy: -0.000 local terms energy: -20.297232 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -3.836 flat angles C4'-P-C4' energy: -5.750 flat angles P-C4'-P energy: -3.968 tors. eta vs tors. theta energy: -1.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 68 Temperature: 1.100000 Total energy: -28.144028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.144028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.144028 (E_RNA) where: Base-Base interactions energy: -5.623 where: short stacking energy: -5.623 Base-Backbone interact. energy: -0.000 local terms energy: -22.520918 where: bonds (distance) C4'-P energy: -4.628 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.656 flat angles P-C4'-P energy: -3.869 tors. eta vs tors. theta energy: -3.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 68 Temperature: 1.150000 Total energy: -25.305444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.305444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.305444 (E_RNA) where: Base-Base interactions energy: -6.563 where: short stacking energy: -6.563 Base-Backbone interact. energy: -0.003 local terms energy: -18.739494 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -3.605 flat angles P-C4'-P energy: -3.719 tors. eta vs tors. theta energy: -0.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 68 Temperature: 1.200000 Total energy: -26.240120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.240120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.240120 (E_RNA) where: Base-Base interactions energy: -6.906 where: short stacking energy: -6.906 Base-Backbone interact. energy: -0.013 local terms energy: -19.321202 where: bonds (distance) C4'-P energy: -4.485 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -4.397 flat angles P-C4'-P energy: -3.940 tors. eta vs tors. theta energy: -0.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 68 Temperature: 1.250000 Total energy: -27.525427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.525427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.525427 (E_RNA) where: Base-Base interactions energy: -6.517 where: short stacking energy: -6.517 Base-Backbone interact. energy: -0.000 local terms energy: -21.007932 where: bonds (distance) C4'-P energy: -3.661 bonds (distance) P-C4' energy: -4.872 flat angles C4'-P-C4' energy: -4.218 flat angles P-C4'-P energy: -3.245 tors. eta vs tors. theta energy: -5.012 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: 2 ===================================== Write number: 68 Temperature: 1.300000 Total energy: -25.450204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.450204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.450204 (E_RNA) where: Base-Base interactions energy: -8.100 where: short stacking energy: -8.100 Base-Backbone interact. energy: -0.045 local terms energy: -17.305150 where: bonds (distance) C4'-P energy: -4.679 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -2.904 flat angles P-C4'-P energy: -3.624 tors. eta vs tors. theta energy: -0.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 68 Temperature: 1.350000 Total energy: -24.853393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.853393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.853393 (E_RNA) where: Base-Base interactions energy: -6.453 where: short stacking energy: -6.453 Base-Backbone interact. energy: -0.001 local terms energy: -18.398957 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -3.377 flat angles C4'-P-C4' energy: -5.025 flat angles P-C4'-P energy: -3.323 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: 1, replica: 5 ===================================== Write number: 69 Temperature: 0.900000 Total energy: -33.901325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.901325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.901325 (E_RNA) where: Base-Base interactions energy: -10.970 where: short stacking energy: -10.970 Base-Backbone interact. energy: -0.000 local terms energy: -22.931297 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -5.046 flat angles P-C4'-P energy: -4.358 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: 2, replica: 8 ===================================== Write number: 69 Temperature: 0.950000 Total energy: -32.063284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.063284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.063284 (E_RNA) where: Base-Base interactions energy: -11.589 where: short stacking energy: -11.589 Base-Backbone interact. energy: -0.059 local terms energy: -20.415132 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -4.576 flat angles P-C4'-P energy: -3.373 tors. eta vs tors. theta energy: -2.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 69 Temperature: 1.000000 Total energy: -34.217416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.217416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.217416 (E_RNA) where: Base-Base interactions energy: -13.650 where: short stacking energy: -13.650 Base-Backbone interact. energy: -0.007 local terms energy: -20.560219 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -3.971 flat angles P-C4'-P energy: -3.876 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: 4, replica: 3 ===================================== Write number: 69 Temperature: 1.050000 Total energy: -30.996499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.996499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.996499 (E_RNA) where: Base-Base interactions energy: -11.074 where: short stacking energy: -11.074 Base-Backbone interact. energy: -0.000 local terms energy: -19.922210 where: bonds (distance) C4'-P energy: -5.275 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -2.648 flat angles P-C4'-P energy: -3.293 tors. eta vs tors. theta energy: -2.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 69 Temperature: 1.100000 Total energy: -32.747841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.747841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.747841 (E_RNA) where: Base-Base interactions energy: -12.965 where: short stacking energy: -12.965 Base-Backbone interact. energy: -0.000 local terms energy: -19.782187 where: bonds (distance) C4'-P energy: -5.089 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -4.479 flat angles P-C4'-P energy: -0.805 tors. eta vs tors. theta energy: -3.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 69 Temperature: 1.150000 Total energy: -30.626293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.626293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.626293 (E_RNA) where: Base-Base interactions energy: -10.646 where: short stacking energy: -10.646 Base-Backbone interact. energy: -0.014 local terms energy: -19.967034 where: bonds (distance) C4'-P energy: -5.089 bonds (distance) P-C4' energy: -5.526 flat angles C4'-P-C4' energy: -3.330 flat angles P-C4'-P energy: -2.919 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: 1 ===================================== Write number: 69 Temperature: 1.200000 Total energy: -24.440385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.440385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.440385 (E_RNA) where: Base-Base interactions energy: -3.281 where: short stacking energy: -3.281 Base-Backbone interact. energy: -0.092 local terms energy: -21.067481 where: bonds (distance) C4'-P energy: -4.041 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -5.332 flat angles P-C4'-P energy: -2.970 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: 8, replica: 2 ===================================== Write number: 69 Temperature: 1.250000 Total energy: -24.866857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.866857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.866857 (E_RNA) where: Base-Base interactions energy: -7.143 where: short stacking energy: -7.143 Base-Backbone interact. energy: -0.000 local terms energy: -17.723032 where: bonds (distance) C4'-P energy: -4.181 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: 0.206 flat angles P-C4'-P energy: -3.250 tors. eta vs tors. theta energy: -4.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 69 Temperature: 1.300000 Total energy: -24.821687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.821687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.821687 (E_RNA) where: Base-Base interactions energy: -6.253 where: short stacking energy: -6.253 Base-Backbone interact. energy: -0.008 local terms energy: -18.559892 where: bonds (distance) C4'-P energy: -2.435 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -4.489 flat angles P-C4'-P energy: -3.604 tors. eta vs tors. theta energy: -2.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 69 Temperature: 1.350000 Total energy: -24.582574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.582574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.582574 (E_RNA) where: Base-Base interactions energy: -6.800 where: short stacking energy: -6.800 Base-Backbone interact. energy: -0.000 local terms energy: -17.782498 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -4.483 flat angles C4'-P-C4' energy: -2.593 flat angles P-C4'-P energy: -4.238 tors. eta vs tors. theta energy: -1.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 70 Temperature: 0.900000 Total energy: -35.483952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.483952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.483952 (E_RNA) where: Base-Base interactions energy: -14.361 where: short stacking energy: -14.361 Base-Backbone interact. energy: -0.000 local terms energy: -21.123033 where: bonds (distance) C4'-P energy: -4.795 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -4.994 flat angles P-C4'-P energy: -2.292 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: 5 ===================================== Write number: 70 Temperature: 0.950000 Total energy: -34.162896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.162896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.162896 (E_RNA) where: Base-Base interactions energy: -12.440 where: short stacking energy: -12.440 Base-Backbone interact. energy: -0.058 local terms energy: -21.664344 where: bonds (distance) C4'-P energy: -3.792 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -4.584 flat angles P-C4'-P energy: -3.615 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: 3, replica: 3 ===================================== Write number: 70 Temperature: 1.000000 Total energy: -32.409404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.409404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.409404 (E_RNA) where: Base-Base interactions energy: -13.317 where: short stacking energy: -13.317 Base-Backbone interact. energy: -0.000 local terms energy: -19.092347 where: bonds (distance) C4'-P energy: -4.405 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.939 flat angles P-C4'-P energy: 0.121 tors. eta vs tors. theta energy: -3.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 70 Temperature: 1.050000 Total energy: -29.290959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.290959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.290959 (E_RNA) where: Base-Base interactions energy: -9.248 where: short stacking energy: -9.248 Base-Backbone interact. energy: -0.100 local terms energy: -19.943352 where: bonds (distance) C4'-P energy: -4.628 bonds (distance) P-C4' energy: -6.020 flat angles C4'-P-C4' energy: -5.450 flat angles P-C4'-P energy: -3.381 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: 5, replica: 7 ===================================== Write number: 70 Temperature: 1.100000 Total energy: -38.940227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.940227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.940227 (E_RNA) where: Base-Base interactions energy: -15.270 where: short stacking energy: -15.270 Base-Backbone interact. energy: -0.000 local terms energy: -23.670525 where: bonds (distance) C4'-P energy: -4.645 bonds (distance) P-C4' energy: -4.835 flat angles C4'-P-C4' energy: -5.209 flat angles P-C4'-P energy: -2.882 tors. eta vs tors. theta energy: -6.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 70 Temperature: 1.150000 Total energy: -30.338035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.338035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.338035 (E_RNA) where: Base-Base interactions energy: -6.438 where: short stacking energy: -6.438 Base-Backbone interact. energy: -0.000 local terms energy: -23.899567 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -5.566 flat angles C4'-P-C4' energy: -4.660 flat angles P-C4'-P energy: -4.483 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: 7, replica: 1 ===================================== Write number: 70 Temperature: 1.200000 Total energy: -27.739692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.739692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.739692 (E_RNA) where: Base-Base interactions energy: -10.844 where: short stacking energy: -10.844 Base-Backbone interact. energy: -0.000 local terms energy: -16.894796 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -1.425 flat angles P-C4'-P energy: -3.440 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: 8, replica: 2 ===================================== Write number: 70 Temperature: 1.250000 Total energy: -33.481023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.481023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.481023 (E_RNA) where: Base-Base interactions energy: -13.422 where: short stacking energy: -13.422 Base-Backbone interact. energy: -0.002 local terms energy: -20.057482 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -4.706 flat angles C4'-P-C4' energy: -4.381 flat angles P-C4'-P energy: -2.786 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: 9, replica: 6 ===================================== Write number: 70 Temperature: 1.300000 Total energy: -28.914267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.914267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.914267 (E_RNA) where: Base-Base interactions energy: -7.391 where: short stacking energy: -7.391 Base-Backbone interact. energy: -0.000 local terms energy: -21.523542 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.498 flat angles C4'-P-C4' energy: -4.742 flat angles P-C4'-P energy: -3.719 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: 10, replica: 4 ===================================== Write number: 70 Temperature: 1.350000 Total energy: -31.300820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.300820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.300820 (E_RNA) where: Base-Base interactions energy: -13.597 where: short stacking energy: -13.597 Base-Backbone interact. energy: -0.000 local terms energy: -17.703880 where: bonds (distance) C4'-P energy: -3.652 bonds (distance) P-C4' energy: -2.820 flat angles C4'-P-C4' energy: -4.206 flat angles P-C4'-P energy: -4.505 tors. eta vs tors. theta energy: -2.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 71 Temperature: 0.900000 Total energy: -37.540038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.540038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.540038 (E_RNA) where: Base-Base interactions energy: -13.168 where: short stacking energy: -13.168 Base-Backbone interact. energy: -0.000 local terms energy: -24.371973 where: bonds (distance) C4'-P energy: -4.787 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -5.275 flat angles P-C4'-P energy: -3.559 tors. eta vs tors. theta energy: -5.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 71 Temperature: 0.950000 Total energy: -39.574464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.574464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.574464 (E_RNA) where: Base-Base interactions energy: -16.019 where: short stacking energy: -16.019 Base-Backbone interact. energy: -0.000 local terms energy: -23.555849 where: bonds (distance) C4'-P energy: -4.778 bonds (distance) P-C4' energy: -4.240 flat angles C4'-P-C4' energy: -5.509 flat angles P-C4'-P energy: -3.356 tors. eta vs tors. theta energy: -5.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 71 Temperature: 1.000000 Total energy: -28.421845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.421845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.421845 (E_RNA) where: Base-Base interactions energy: -7.970 where: short stacking energy: -7.071 Base-Backbone interact. energy: -0.001 local terms energy: -20.451399 where: bonds (distance) C4'-P energy: -4.405 bonds (distance) P-C4' energy: -6.020 flat angles C4'-P-C4' energy: -4.318 flat angles P-C4'-P energy: -3.138 tors. eta vs tors. theta energy: -2.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 71 Temperature: 1.050000 Total energy: -29.117804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.117804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.117804 (E_RNA) where: Base-Base interactions energy: -8.740 where: short stacking energy: -8.740 Base-Backbone interact. energy: -0.011 local terms energy: -20.366799 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.209 flat angles C4'-P-C4' energy: -4.000 flat angles P-C4'-P energy: -2.411 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: 5, replica: 9 ===================================== Write number: 71 Temperature: 1.100000 Total energy: -27.347073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.347073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.347073 (E_RNA) where: Base-Base interactions energy: -8.238 where: short stacking energy: -8.238 Base-Backbone interact. energy: -0.000 local terms energy: -19.108684 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -5.298 flat angles C4'-P-C4' energy: -3.740 flat angles P-C4'-P energy: -2.767 tors. eta vs tors. theta energy: -2.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 71 Temperature: 1.150000 Total energy: -26.838383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.838383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.838383 (E_RNA) where: Base-Base interactions energy: -7.247 where: short stacking energy: -7.247 Base-Backbone interact. energy: -0.000 local terms energy: -19.591807 where: bonds (distance) C4'-P energy: -4.725 bonds (distance) P-C4' energy: -4.976 flat angles C4'-P-C4' energy: -3.691 flat angles P-C4'-P energy: -4.218 tors. eta vs tors. theta energy: -1.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 71 Temperature: 1.200000 Total energy: -31.120212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.120212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.120212 (E_RNA) where: Base-Base interactions energy: -12.554 where: short stacking energy: -12.554 Base-Backbone interact. energy: -0.028 local terms energy: -18.538899 where: bonds (distance) C4'-P energy: -4.235 bonds (distance) P-C4' energy: -4.019 flat angles C4'-P-C4' energy: -5.286 flat angles P-C4'-P energy: -4.397 tors. eta vs tors. theta energy: -0.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 71 Temperature: 1.250000 Total energy: -23.702198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.702198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.702198 (E_RNA) where: Base-Base interactions energy: -6.963 where: short stacking energy: -6.963 Base-Backbone interact. energy: -0.000 local terms energy: -16.738624 where: bonds (distance) C4'-P energy: -3.155 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -3.280 flat angles P-C4'-P energy: -0.505 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: 9, replica: 2 ===================================== Write number: 71 Temperature: 1.300000 Total energy: -28.144591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.144591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.144591 (E_RNA) where: Base-Base interactions energy: -5.733 where: short stacking energy: -5.733 Base-Backbone interact. energy: -0.000 local terms energy: -22.411908 where: bonds (distance) C4'-P energy: -3.359 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.382 flat angles P-C4'-P energy: -2.222 tors. eta vs tors. theta energy: -5.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 71 Temperature: 1.350000 Total energy: -26.369798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.369798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.369798 (E_RNA) where: Base-Base interactions energy: -7.542 where: short stacking energy: -7.542 Base-Backbone interact. energy: -0.000 local terms energy: -18.827322 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -4.772 flat angles P-C4'-P energy: -3.629 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: 1, replica: 8 ===================================== Write number: 72 Temperature: 0.900000 Total energy: -35.692821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.692821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.692821 (E_RNA) where: Base-Base interactions energy: -14.285 where: short stacking energy: -14.285 Base-Backbone interact. energy: -0.044 local terms energy: -21.364120 where: bonds (distance) C4'-P energy: -3.891 bonds (distance) P-C4' energy: -5.494 flat angles C4'-P-C4' energy: -4.237 flat angles P-C4'-P energy: -3.935 tors. eta vs tors. theta energy: -3.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 72 Temperature: 0.950000 Total energy: -29.460136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.460136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.460136 (E_RNA) where: Base-Base interactions energy: -12.056 where: short stacking energy: -12.056 Base-Backbone interact. energy: -0.002 local terms energy: -17.402296 where: bonds (distance) C4'-P energy: -3.760 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.467 flat angles P-C4'-P energy: -1.842 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: 3, replica: 7 ===================================== Write number: 72 Temperature: 1.000000 Total energy: -37.445978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.445978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.445978 (E_RNA) where: Base-Base interactions energy: -15.412 where: short stacking energy: -15.412 Base-Backbone interact. energy: -0.000 local terms energy: -22.034296 where: bonds (distance) C4'-P energy: -3.669 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.382 flat angles P-C4'-P energy: -4.778 tors. eta vs tors. theta energy: -3.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 72 Temperature: 1.050000 Total energy: -32.635034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.635034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.635034 (E_RNA) where: Base-Base interactions energy: -14.398 where: short stacking energy: -14.398 Base-Backbone interact. energy: -0.012 local terms energy: -18.225302 where: bonds (distance) C4'-P energy: -5.399 bonds (distance) P-C4' energy: -5.783 flat angles C4'-P-C4' energy: -1.862 flat angles P-C4'-P energy: -2.789 tors. eta vs tors. theta energy: -2.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 72 Temperature: 1.100000 Total energy: -30.497985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.497985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.497985 (E_RNA) where: Base-Base interactions energy: -12.197 where: short stacking energy: -12.197 Base-Backbone interact. energy: -0.028 local terms energy: -18.273682 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -3.469 flat angles P-C4'-P energy: -2.189 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: 6, replica: 9 ===================================== Write number: 72 Temperature: 1.150000 Total energy: -29.778964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.778964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.778964 (E_RNA) where: Base-Base interactions energy: -8.240 where: short stacking energy: -8.240 Base-Backbone interact. energy: -0.018 local terms energy: -21.521021 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -4.544 flat angles C4'-P-C4' energy: -4.866 flat angles P-C4'-P energy: -3.806 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: 7, replica: 6 ===================================== Write number: 72 Temperature: 1.200000 Total energy: -23.452038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.452038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.452038 (E_RNA) where: Base-Base interactions energy: -3.050 where: short stacking energy: -3.050 Base-Backbone interact. energy: -0.000 local terms energy: -20.401621 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -4.949 flat angles C4'-P-C4' energy: -4.750 flat angles P-C4'-P energy: -3.684 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: 10 ===================================== Write number: 72 Temperature: 1.250000 Total energy: -26.700529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.700529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.700529 (E_RNA) where: Base-Base interactions energy: -5.232 where: short stacking energy: -5.232 Base-Backbone interact. energy: -0.002 local terms energy: -21.466058 where: bonds (distance) C4'-P energy: -4.645 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -5.151 flat angles P-C4'-P energy: -2.180 tors. eta vs tors. theta energy: -4.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 72 Temperature: 1.300000 Total energy: -25.778201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.778201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.778201 (E_RNA) where: Base-Base interactions energy: -7.842 where: short stacking energy: -7.842 Base-Backbone interact. energy: -0.032 local terms energy: -17.904023 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -3.638 flat angles C4'-P-C4' energy: -5.466 flat angles P-C4'-P energy: -2.438 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: 2 ===================================== Write number: 72 Temperature: 1.350000 Total energy: -30.011996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.011996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.011996 (E_RNA) where: Base-Base interactions energy: -11.144 where: short stacking energy: -11.144 Base-Backbone interact. energy: -0.004 local terms energy: -18.864418 where: bonds (distance) C4'-P energy: -2.237 bonds (distance) P-C4' energy: -4.945 flat angles C4'-P-C4' energy: -5.402 flat angles P-C4'-P energy: -3.647 tors. eta vs tors. theta energy: -2.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 73 Temperature: 0.900000 Total energy: -37.990512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.990512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.990512 (E_RNA) where: Base-Base interactions energy: -14.552 where: short stacking energy: -14.552 Base-Backbone interact. energy: -0.000 local terms energy: -23.438835 where: bonds (distance) C4'-P energy: -4.786 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.003 flat angles P-C4'-P energy: -4.705 tors. eta vs tors. theta energy: -3.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 73 Temperature: 0.950000 Total energy: -35.373334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.373334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.373334 (E_RNA) where: Base-Base interactions energy: -11.448 where: short stacking energy: -11.448 Base-Backbone interact. energy: -0.000 local terms energy: -23.925746 where: bonds (distance) C4'-P energy: -4.555 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -5.368 flat angles P-C4'-P energy: -3.700 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: 3, replica: 3 ===================================== Write number: 73 Temperature: 1.000000 Total energy: -33.535459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.535459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.535459 (E_RNA) where: Base-Base interactions energy: -15.977 where: short stacking energy: -15.977 Base-Backbone interact. energy: -0.000 local terms energy: -17.558613 where: bonds (distance) C4'-P energy: -4.092 bonds (distance) P-C4' energy: -2.206 flat angles C4'-P-C4' energy: -5.325 flat angles P-C4'-P energy: -3.379 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: 4, replica: 5 ===================================== Write number: 73 Temperature: 1.050000 Total energy: -31.105834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.105834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.105834 (E_RNA) where: Base-Base interactions energy: -11.551 where: short stacking energy: -11.551 Base-Backbone interact. energy: -0.000 local terms energy: -19.555145 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -4.224 flat angles C4'-P-C4' energy: -4.354 flat angles P-C4'-P energy: -4.230 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: 5, replica: 1 ===================================== Write number: 73 Temperature: 1.100000 Total energy: -31.133326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.133326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.133326 (E_RNA) where: Base-Base interactions energy: -8.429 where: short stacking energy: -8.429 Base-Backbone interact. energy: -0.058 local terms energy: -22.646575 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -5.759 flat angles C4'-P-C4' energy: -5.436 flat angles P-C4'-P energy: -4.391 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: 6, replica: 6 ===================================== Write number: 73 Temperature: 1.150000 Total energy: -29.916780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.916780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.916780 (E_RNA) where: Base-Base interactions energy: -8.499 where: short stacking energy: -8.499 Base-Backbone interact. energy: -0.000 local terms energy: -21.417379 where: bonds (distance) C4'-P energy: -5.188 bonds (distance) P-C4' energy: -5.305 flat angles C4'-P-C4' energy: -5.082 flat angles P-C4'-P energy: -3.636 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: 7, replica: 9 ===================================== Write number: 73 Temperature: 1.200000 Total energy: -36.721842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.721842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.721842 (E_RNA) where: Base-Base interactions energy: -14.242 where: short stacking energy: -14.242 Base-Backbone interact. energy: -0.005 local terms energy: -22.474239 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -5.526 flat angles C4'-P-C4' energy: -4.568 flat angles P-C4'-P energy: -3.898 tors. eta vs tors. theta energy: -3.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 73 Temperature: 1.250000 Total energy: -26.808185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.808185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.808185 (E_RNA) where: Base-Base interactions energy: -8.503 where: short stacking energy: -8.503 Base-Backbone interact. energy: -0.093 local terms energy: -18.211525 where: bonds (distance) C4'-P energy: -4.509 bonds (distance) P-C4' energy: -5.995 flat angles C4'-P-C4' energy: -4.452 flat angles P-C4'-P energy: -3.679 tors. eta vs tors. theta energy: 0.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 73 Temperature: 1.300000 Total energy: -29.793157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.793157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.793157 (E_RNA) where: Base-Base interactions energy: -9.380 where: short stacking energy: -9.380 Base-Backbone interact. energy: -0.000 local terms energy: -20.412869 where: bonds (distance) C4'-P energy: -4.120 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -5.396 flat angles P-C4'-P energy: 0.404 tors. eta vs tors. theta energy: -5.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 73 Temperature: 1.350000 Total energy: -22.562299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.562299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.562299 (E_RNA) where: Base-Base interactions energy: -4.417 where: short stacking energy: -4.417 Base-Backbone interact. energy: -0.099 local terms energy: -18.046959 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.416 flat angles P-C4'-P energy: -0.781 tors. eta vs tors. theta energy: -0.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 74 Temperature: 0.900000 Total energy: -41.340072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.340072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.340072 (E_RNA) where: Base-Base interactions energy: -15.755 where: short stacking energy: -15.755 Base-Backbone interact. energy: -0.002 local terms energy: -25.583123 where: bonds (distance) C4'-P energy: -5.391 bonds (distance) P-C4' energy: -5.569 flat angles C4'-P-C4' energy: -5.805 flat angles P-C4'-P energy: -4.494 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: 8 ===================================== Write number: 74 Temperature: 0.950000 Total energy: -32.963072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.963072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.963072 (E_RNA) where: Base-Base interactions energy: -12.192 where: short stacking energy: -12.192 Base-Backbone interact. energy: -0.001 local terms energy: -20.770100 where: bonds (distance) C4'-P energy: -4.369 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -5.398 flat angles P-C4'-P energy: -4.400 tors. eta vs tors. theta energy: -1.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 74 Temperature: 1.000000 Total energy: -33.586114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.586114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.586114 (E_RNA) where: Base-Base interactions energy: -12.458 where: short stacking energy: -5.657 Base-Backbone interact. energy: -0.284 local terms energy: -20.843910 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -5.236 flat angles P-C4'-P energy: -3.845 tors. eta vs tors. theta energy: -1.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 74 Temperature: 1.050000 Total energy: -29.268141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.268141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.268141 (E_RNA) where: Base-Base interactions energy: -7.899 where: short stacking energy: -7.899 Base-Backbone interact. energy: -0.067 local terms energy: -21.302726 where: bonds (distance) C4'-P energy: -4.501 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.727 flat angles P-C4'-P energy: -4.409 tors. eta vs tors. theta energy: -1.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 74 Temperature: 1.100000 Total energy: -29.120956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.120956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.120956 (E_RNA) where: Base-Base interactions energy: -7.074 where: short stacking energy: -7.074 Base-Backbone interact. energy: -0.025 local terms energy: -22.021379 where: bonds (distance) C4'-P energy: -4.663 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.873 flat angles P-C4'-P energy: -3.060 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: 6, replica: 1 ===================================== Write number: 74 Temperature: 1.150000 Total energy: -24.723722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.723722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.723722 (E_RNA) where: Base-Base interactions energy: -4.775 where: short stacking energy: -4.775 Base-Backbone interact. energy: -0.000 local terms energy: -19.948258 where: bonds (distance) C4'-P energy: -4.637 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -5.244 flat angles P-C4'-P energy: -3.497 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: 7, replica: 4 ===================================== Write number: 74 Temperature: 1.200000 Total energy: -26.305953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.305953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.305953 (E_RNA) where: Base-Base interactions energy: -8.722 where: short stacking energy: -8.722 Base-Backbone interact. energy: -0.011 local terms energy: -17.573114 where: bonds (distance) C4'-P energy: -3.445 bonds (distance) P-C4' energy: -5.209 flat angles C4'-P-C4' energy: -5.363 flat angles P-C4'-P energy: -2.498 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: 8, replica: 9 ===================================== Write number: 74 Temperature: 1.250000 Total energy: -24.850396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.850396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.850396 (E_RNA) where: Base-Base interactions energy: -8.391 where: short stacking energy: -8.391 Base-Backbone interact. energy: -0.001 local terms energy: -16.458580 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -5.734 flat angles C4'-P-C4' energy: -2.785 flat angles P-C4'-P energy: -2.243 tors. eta vs tors. theta energy: -0.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 74 Temperature: 1.300000 Total energy: -29.515381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.515381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.515381 (E_RNA) where: Base-Base interactions energy: -12.348 where: short stacking energy: -12.348 Base-Backbone interact. energy: -0.000 local terms energy: -17.167025 where: bonds (distance) C4'-P energy: -4.235 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -3.516 flat angles P-C4'-P energy: -3.356 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: 10, replica: 10 ===================================== Write number: 74 Temperature: 1.350000 Total energy: -26.594155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.594155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.594155 (E_RNA) where: Base-Base interactions energy: -7.556 where: short stacking energy: -7.556 Base-Backbone interact. energy: -0.002 local terms energy: -19.036513 where: bonds (distance) C4'-P energy: -4.663 bonds (distance) P-C4' energy: -5.460 flat angles C4'-P-C4' energy: -4.894 flat angles P-C4'-P energy: -2.830 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: 7 ===================================== Write number: 75 Temperature: 0.900000 Total energy: -34.427429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.427429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.427429 (E_RNA) where: Base-Base interactions energy: -12.247 where: short stacking energy: -12.247 Base-Backbone interact. energy: -0.000 local terms energy: -22.180756 where: bonds (distance) C4'-P energy: -4.103 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -4.751 flat angles P-C4'-P energy: -3.421 tors. eta vs tors. theta energy: -3.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 75 Temperature: 0.950000 Total energy: -29.261422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.261422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.261422 (E_RNA) where: Base-Base interactions energy: -7.502 where: short stacking energy: -7.502 Base-Backbone interact. energy: -0.000 local terms energy: -21.758994 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -4.943 flat angles P-C4'-P energy: -4.166 tors. eta vs tors. theta energy: -1.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 75 Temperature: 1.000000 Total energy: -29.996745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.996745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.996745 (E_RNA) where: Base-Base interactions energy: -5.168 where: short stacking energy: -5.168 Base-Backbone interact. energy: -0.000 local terms energy: -24.828648 where: bonds (distance) C4'-P energy: -5.159 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.240 flat angles P-C4'-P energy: -3.607 tors. eta vs tors. theta energy: -4.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 75 Temperature: 1.050000 Total energy: -27.780512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.780512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.780512 (E_RNA) where: Base-Base interactions energy: -7.910 where: short stacking energy: -7.910 Base-Backbone interact. energy: -0.017 local terms energy: -19.853826 where: bonds (distance) C4'-P energy: -4.663 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -3.865 flat angles P-C4'-P energy: -3.446 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: 3 ===================================== Write number: 75 Temperature: 1.100000 Total energy: -31.849725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.849725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.849725 (E_RNA) where: Base-Base interactions energy: -14.014 where: short stacking energy: -14.014 Base-Backbone interact. energy: -0.000 local terms energy: -17.835122 where: bonds (distance) C4'-P energy: -4.270 bonds (distance) P-C4' energy: -5.072 flat angles C4'-P-C4' energy: -4.577 flat angles P-C4'-P energy: -2.494 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: 6, replica: 4 ===================================== Write number: 75 Temperature: 1.150000 Total energy: -28.956535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.956535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.956535 (E_RNA) where: Base-Base interactions energy: -8.219 where: short stacking energy: -8.219 Base-Backbone interact. energy: -0.000 local terms energy: -20.737022 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.045 flat angles P-C4'-P energy: -3.925 tors. eta vs tors. theta energy: -0.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 75 Temperature: 1.200000 Total energy: -25.135804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.135804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.135804 (E_RNA) where: Base-Base interactions energy: -5.681 where: short stacking energy: -5.223 Base-Backbone interact. energy: -0.034 local terms energy: -19.421412 where: bonds (distance) C4'-P energy: -2.170 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -5.509 flat angles P-C4'-P energy: -1.784 tors. eta vs tors. theta energy: -4.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 75 Temperature: 1.250000 Total energy: -22.114969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.114969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.114969 (E_RNA) where: Base-Base interactions energy: -6.090 where: short stacking energy: -6.090 Base-Backbone interact. energy: -0.052 local terms energy: -15.972501 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -3.740 flat angles C4'-P-C4' energy: -4.529 flat angles P-C4'-P energy: -3.281 tors. eta vs tors. theta energy: 1.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 75 Temperature: 1.300000 Total energy: -28.352154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.352154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.352154 (E_RNA) where: Base-Base interactions energy: -8.963 where: short stacking energy: -8.963 Base-Backbone interact. energy: -0.099 local terms energy: -19.290256 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -2.400 flat angles P-C4'-P energy: -4.201 tors. eta vs tors. theta energy: -1.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 75 Temperature: 1.350000 Total energy: -31.416602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.416602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.416602 (E_RNA) where: Base-Base interactions energy: -11.126 where: short stacking energy: -11.126 Base-Backbone interact. energy: -0.000 local terms energy: -20.290176 where: bonds (distance) C4'-P energy: -4.277 bonds (distance) P-C4' energy: -5.065 flat angles C4'-P-C4' energy: -4.975 flat angles P-C4'-P energy: -2.011 tors. eta vs tors. theta energy: -3.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 76 Temperature: 0.900000 Total energy: -36.551715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.551715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.551715 (E_RNA) where: Base-Base interactions energy: -16.112 where: short stacking energy: -16.112 Base-Backbone interact. energy: -0.010 local terms energy: -20.429159 where: bonds (distance) C4'-P energy: -3.946 bonds (distance) P-C4' energy: -5.516 flat angles C4'-P-C4' energy: -4.642 flat angles P-C4'-P energy: -3.794 tors. eta vs tors. theta energy: -2.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 76 Temperature: 0.950000 Total energy: -35.369243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.369243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.369243 (E_RNA) where: Base-Base interactions energy: -14.874 where: short stacking energy: -14.874 Base-Backbone interact. energy: -0.004 local terms energy: -20.491187 where: bonds (distance) C4'-P energy: -3.126 bonds (distance) P-C4' energy: -5.233 flat angles C4'-P-C4' energy: -5.554 flat angles P-C4'-P energy: -3.039 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: 6 ===================================== Write number: 76 Temperature: 1.000000 Total energy: -28.048192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.048192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.048192 (E_RNA) where: Base-Base interactions energy: -10.576 where: short stacking energy: -10.576 Base-Backbone interact. energy: -0.080 local terms energy: -17.391953 where: bonds (distance) C4'-P energy: -4.787 bonds (distance) P-C4' energy: -4.454 flat angles C4'-P-C4' energy: -4.361 flat angles P-C4'-P energy: -1.388 tors. eta vs tors. theta energy: -2.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 76 Temperature: 1.050000 Total energy: -29.657604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.657604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.657604 (E_RNA) where: Base-Base interactions energy: -12.062 where: short stacking energy: -12.062 Base-Backbone interact. energy: -0.018 local terms energy: -17.578392 where: bonds (distance) C4'-P energy: -2.833 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -5.007 flat angles P-C4'-P energy: -4.184 tors. eta vs tors. theta energy: -0.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 76 Temperature: 1.100000 Total energy: -29.775202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.775202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.775202 (E_RNA) where: Base-Base interactions energy: -9.203 where: short stacking energy: -7.040 Base-Backbone interact. energy: -0.111 local terms energy: -20.461017 where: bonds (distance) C4'-P energy: -4.600 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.973 flat angles P-C4'-P energy: -4.629 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: 6, replica: 3 ===================================== Write number: 76 Temperature: 1.150000 Total energy: -31.138535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.138535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.138535 (E_RNA) where: Base-Base interactions energy: -10.152 where: short stacking energy: -10.152 Base-Backbone interact. energy: -0.000 local terms energy: -20.986329 where: bonds (distance) C4'-P energy: -3.598 bonds (distance) P-C4' energy: -3.793 flat angles C4'-P-C4' energy: -4.639 flat angles P-C4'-P energy: -4.610 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: 7, replica: 2 ===================================== Write number: 76 Temperature: 1.200000 Total energy: -26.002562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.002562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.002562 (E_RNA) where: Base-Base interactions energy: -5.129 where: short stacking energy: -5.129 Base-Backbone interact. energy: -0.015 local terms energy: -20.859202 where: bonds (distance) C4'-P energy: -4.335 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -5.485 flat angles P-C4'-P energy: -2.895 tors. eta vs tors. theta energy: -1.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 76 Temperature: 1.250000 Total energy: -29.651694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.651694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.651694 (E_RNA) where: Base-Base interactions energy: -13.126 where: short stacking energy: -13.126 Base-Backbone interact. energy: -0.000 local terms energy: -16.525454 where: bonds (distance) C4'-P energy: -3.668 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -1.193 flat angles P-C4'-P energy: -1.988 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: 9, replica: 10 ===================================== Write number: 76 Temperature: 1.300000 Total energy: -25.663802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.663802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.663802 (E_RNA) where: Base-Base interactions energy: -6.170 where: short stacking energy: -6.170 Base-Backbone interact. energy: -0.101 local terms energy: -19.391983 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -3.813 flat angles P-C4'-P energy: -3.826 tors. eta vs tors. theta energy: -0.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 76 Temperature: 1.350000 Total energy: -23.376036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.376036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.376036 (E_RNA) where: Base-Base interactions energy: -4.801 where: short stacking energy: -4.801 Base-Backbone interact. energy: -0.285 local terms energy: -18.289857 where: bonds (distance) C4'-P energy: -3.420 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -3.755 flat angles P-C4'-P energy: -4.512 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: 1, replica: 5 ===================================== Write number: 77 Temperature: 0.900000 Total energy: -35.531217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.531217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.531217 (E_RNA) where: Base-Base interactions energy: -13.447 where: short stacking energy: -13.447 Base-Backbone interact. energy: -0.002 local terms energy: -22.081976 where: bonds (distance) C4'-P energy: -4.459 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -4.975 flat angles P-C4'-P energy: -3.640 tors. eta vs tors. theta energy: -3.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 77 Temperature: 0.950000 Total energy: -32.665690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.665690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.665690 (E_RNA) where: Base-Base interactions energy: -11.417 where: short stacking energy: -11.417 Base-Backbone interact. energy: -0.004 local terms energy: -21.244831 where: bonds (distance) C4'-P energy: -4.840 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -3.702 flat angles P-C4'-P energy: -3.271 tors. eta vs tors. theta energy: -3.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 77 Temperature: 1.000000 Total energy: -31.758381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.758381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.758381 (E_RNA) where: Base-Base interactions energy: -12.544 where: short stacking energy: -12.544 Base-Backbone interact. energy: -0.025 local terms energy: -19.190071 where: bonds (distance) C4'-P energy: -3.891 bonds (distance) P-C4' energy: -3.997 flat angles C4'-P-C4' energy: -4.750 flat angles P-C4'-P energy: -2.905 tors. eta vs tors. theta energy: -3.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 77 Temperature: 1.050000 Total energy: -25.113714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.113714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.113714 (E_RNA) where: Base-Base interactions energy: -10.411 where: short stacking energy: -10.411 Base-Backbone interact. energy: -0.090 local terms energy: -14.612958 where: bonds (distance) C4'-P energy: -4.413 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -3.535 flat angles P-C4'-P energy: -3.105 tors. eta vs tors. theta energy: 1.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 77 Temperature: 1.100000 Total energy: -28.383674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.383674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.383674 (E_RNA) where: Base-Base interactions energy: -11.096 where: short stacking energy: -11.096 Base-Backbone interact. energy: -0.000 local terms energy: -17.287107 where: bonds (distance) C4'-P energy: -3.652 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.216 flat angles P-C4'-P energy: -1.204 tors. eta vs tors. theta energy: -2.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 77 Temperature: 1.150000 Total energy: -31.265238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.265238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.265238 (E_RNA) where: Base-Base interactions energy: -12.341 where: short stacking energy: -12.341 Base-Backbone interact. energy: -0.000 local terms energy: -18.924169 where: bonds (distance) C4'-P energy: -3.784 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -4.313 flat angles P-C4'-P energy: -3.344 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: 7, replica: 3 ===================================== Write number: 77 Temperature: 1.200000 Total energy: -25.878223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.878223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.878223 (E_RNA) where: Base-Base interactions energy: -6.208 where: short stacking energy: -6.208 Base-Backbone interact. energy: -0.463 local terms energy: -19.206944 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -5.783 flat angles C4'-P-C4' energy: -4.750 flat angles P-C4'-P energy: -2.094 tors. eta vs tors. theta energy: -1.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 77 Temperature: 1.250000 Total energy: -28.073332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.073332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.073332 (E_RNA) where: Base-Base interactions energy: -10.203 where: short stacking energy: -10.203 Base-Backbone interact. energy: -0.002 local terms energy: -17.868688 where: bonds (distance) C4'-P energy: -4.547 bonds (distance) P-C4' energy: -2.298 flat angles C4'-P-C4' energy: -4.219 flat angles P-C4'-P energy: -2.928 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: 1 ===================================== Write number: 77 Temperature: 1.300000 Total energy: -23.658205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.658205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.658205 (E_RNA) where: Base-Base interactions energy: -7.666 where: short stacking energy: -7.666 Base-Backbone interact. energy: -0.003 local terms energy: -15.988560 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -1.555 flat angles P-C4'-P energy: -3.541 tors. eta vs tors. theta energy: -0.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 77 Temperature: 1.350000 Total energy: -25.642831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.642831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.642831 (E_RNA) where: Base-Base interactions energy: -5.038 where: short stacking energy: -5.038 Base-Backbone interact. energy: -0.006 local terms energy: -20.598296 where: bonds (distance) C4'-P energy: -4.778 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -5.213 flat angles P-C4'-P energy: -3.634 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: 1, replica: 6 ===================================== Write number: 78 Temperature: 0.900000 Total energy: -31.440663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.440663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.440663 (E_RNA) where: Base-Base interactions energy: -12.787 where: short stacking energy: -12.787 Base-Backbone interact. energy: -0.043 local terms energy: -18.610224 where: bonds (distance) C4'-P energy: -5.498 bonds (distance) P-C4' energy: -4.180 flat angles C4'-P-C4' energy: -4.839 flat angles P-C4'-P energy: -1.422 tors. eta vs tors. theta energy: -2.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 78 Temperature: 0.950000 Total energy: -34.112024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.112024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.112024 (E_RNA) where: Base-Base interactions energy: -13.750 where: short stacking energy: -13.750 Base-Backbone interact. energy: -0.001 local terms energy: -20.361500 where: bonds (distance) C4'-P energy: -4.555 bonds (distance) P-C4' energy: -5.065 flat angles C4'-P-C4' energy: -5.570 flat angles P-C4'-P energy: -2.745 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: 3, replica: 4 ===================================== Write number: 78 Temperature: 1.000000 Total energy: -31.349997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.349997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.349997 (E_RNA) where: Base-Base interactions energy: -12.218 where: short stacking energy: -12.218 Base-Backbone interact. energy: -0.014 local terms energy: -19.117759 where: bonds (distance) C4'-P energy: -3.900 bonds (distance) P-C4' energy: -5.516 flat angles C4'-P-C4' energy: -4.390 flat angles P-C4'-P energy: -3.711 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: 4, replica: 7 ===================================== Write number: 78 Temperature: 1.050000 Total energy: -28.251409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.251409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.251409 (E_RNA) where: Base-Base interactions energy: -7.488 where: short stacking energy: -7.488 Base-Backbone interact. energy: -0.003 local terms energy: -20.760311 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -4.569 flat angles P-C4'-P energy: -3.049 tors. eta vs tors. theta energy: -2.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 78 Temperature: 1.100000 Total energy: -34.776683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.776683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.776683 (E_RNA) where: Base-Base interactions energy: -13.488 where: short stacking energy: -13.488 Base-Backbone interact. energy: -0.003 local terms energy: -21.286137 where: bonds (distance) C4'-P energy: -4.343 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.782 flat angles P-C4'-P energy: -3.260 tors. eta vs tors. theta energy: -2.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 78 Temperature: 1.150000 Total energy: -28.094451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.094451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.094451 (E_RNA) where: Base-Base interactions energy: -8.421 where: short stacking energy: -8.421 Base-Backbone interact. energy: -0.154 local terms energy: -19.519700 where: bonds (distance) C4'-P energy: -3.979 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -4.492 flat angles P-C4'-P energy: -2.962 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: 3 ===================================== Write number: 78 Temperature: 1.200000 Total energy: -30.673477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.673477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.673477 (E_RNA) where: Base-Base interactions energy: -11.327 where: short stacking energy: -11.327 Base-Backbone interact. energy: -0.003 local terms energy: -19.344408 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.592 flat angles P-C4'-P energy: -1.589 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: 8, replica: 10 ===================================== Write number: 78 Temperature: 1.250000 Total energy: -25.144705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.144705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.144705 (E_RNA) where: Base-Base interactions energy: -7.216 where: short stacking energy: -7.216 Base-Backbone interact. energy: -0.005 local terms energy: -17.923834 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -4.470 flat angles C4'-P-C4' energy: -4.849 flat angles P-C4'-P energy: -2.261 tors. eta vs tors. theta energy: -1.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 78 Temperature: 1.300000 Total energy: -31.667038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.667038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.667038 (E_RNA) where: Base-Base interactions energy: -11.534 where: short stacking energy: -11.534 Base-Backbone interact. energy: -0.023 local terms energy: -20.110264 where: bonds (distance) C4'-P energy: -4.140 bonds (distance) P-C4' energy: -2.715 flat angles C4'-P-C4' energy: -5.605 flat angles P-C4'-P energy: -4.323 tors. eta vs tors. theta energy: -3.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 78 Temperature: 1.350000 Total energy: -25.964750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.964750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.964750 (E_RNA) where: Base-Base interactions energy: -5.943 where: short stacking energy: -5.943 Base-Backbone interact. energy: -0.004 local terms energy: -20.017913 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -3.524 flat angles P-C4'-P energy: -1.652 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: 1, replica: 6 ===================================== Write number: 79 Temperature: 0.900000 Total energy: -29.625639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.625639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.625639 (E_RNA) where: Base-Base interactions energy: -6.944 where: short stacking energy: -6.944 Base-Backbone interact. energy: -0.000 local terms energy: -22.680859 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -5.065 flat angles P-C4'-P energy: -4.036 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: 79 Temperature: 0.950000 Total energy: -33.756748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.756748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.756748 (E_RNA) where: Base-Base interactions energy: -12.315 where: short stacking energy: -12.315 Base-Backbone interact. energy: -0.000 local terms energy: -21.441805 where: bonds (distance) C4'-P energy: -4.513 bonds (distance) P-C4' energy: -4.255 flat angles C4'-P-C4' energy: -4.600 flat angles P-C4'-P energy: -4.335 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: 3, replica: 5 ===================================== Write number: 79 Temperature: 1.000000 Total energy: -32.152924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.152924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.152924 (E_RNA) where: Base-Base interactions energy: -10.834 where: short stacking energy: -10.834 Base-Backbone interact. energy: -0.000 local terms energy: -21.318890 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -5.494 flat angles C4'-P-C4' energy: -3.691 flat angles P-C4'-P energy: -3.104 tors. eta vs tors. theta energy: -3.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 79 Temperature: 1.050000 Total energy: -30.555085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.555085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.555085 (E_RNA) where: Base-Base interactions energy: -11.725 where: short stacking energy: -11.725 Base-Backbone interact. energy: -0.000 local terms energy: -18.829668 where: bonds (distance) C4'-P energy: -4.165 bonds (distance) P-C4' energy: -4.215 flat angles C4'-P-C4' energy: -5.028 flat angles P-C4'-P energy: -1.806 tors. eta vs tors. theta energy: -3.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 79 Temperature: 1.100000 Total energy: -29.930250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.930250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.930250 (E_RNA) where: Base-Base interactions energy: -10.428 where: short stacking energy: -10.428 Base-Backbone interact. energy: -0.008 local terms energy: -19.493780 where: bonds (distance) C4'-P energy: -4.219 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -4.151 flat angles P-C4'-P energy: -3.177 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: 6, replica: 3 ===================================== Write number: 79 Temperature: 1.150000 Total energy: -26.792945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.792945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.792945 (E_RNA) where: Base-Base interactions energy: -8.576 where: short stacking energy: -8.576 Base-Backbone interact. energy: -0.685 local terms energy: -17.532444 where: bonds (distance) C4'-P energy: -1.495 bonds (distance) P-C4' energy: -4.875 flat angles C4'-P-C4' energy: -4.780 flat angles P-C4'-P energy: -4.091 tors. eta vs tors. theta energy: -2.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 79 Temperature: 1.200000 Total energy: -30.960741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.960741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.960741 (E_RNA) where: Base-Base interactions energy: -9.691 where: short stacking energy: -9.691 Base-Backbone interact. energy: -0.000 local terms energy: -21.270078 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -3.519 flat angles P-C4'-P energy: -1.339 tors. eta vs tors. theta energy: -5.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 79 Temperature: 1.250000 Total energy: -24.212703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.212703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.212703 (E_RNA) where: Base-Base interactions energy: -6.915 where: short stacking energy: -6.915 Base-Backbone interact. energy: -0.000 local terms energy: -17.298054 where: bonds (distance) C4'-P energy: -3.900 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -3.821 flat angles P-C4'-P energy: -2.251 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: 9, replica: 10 ===================================== Write number: 79 Temperature: 1.300000 Total energy: -28.233167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.233167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.233167 (E_RNA) where: Base-Base interactions energy: -6.631 where: short stacking energy: -6.631 Base-Backbone interact. energy: -0.001 local terms energy: -21.600630 where: bonds (distance) C4'-P energy: -3.271 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -5.430 flat angles P-C4'-P energy: -3.380 tors. eta vs tors. theta energy: -3.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 79 Temperature: 1.350000 Total energy: -26.211169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.211169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.211169 (E_RNA) where: Base-Base interactions energy: -7.721 where: short stacking energy: -7.721 Base-Backbone interact. energy: -0.068 local terms energy: -18.422672 where: bonds (distance) C4'-P energy: -3.871 bonds (distance) P-C4' energy: -4.994 flat angles C4'-P-C4' energy: -4.882 flat angles P-C4'-P energy: -3.034 tors. eta vs tors. theta energy: -1.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 80 Temperature: 0.900000 Total energy: -41.047635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.047635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.047635 (E_RNA) where: Base-Base interactions energy: -15.388 where: short stacking energy: -15.388 Base-Backbone interact. energy: -0.000 local terms energy: -25.660075 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.882 flat angles P-C4'-P energy: -4.401 tors. eta vs tors. theta energy: -4.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 80 Temperature: 0.950000 Total energy: -38.614239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.614239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.614239 (E_RNA) where: Base-Base interactions energy: -15.905 where: short stacking energy: -15.905 Base-Backbone interact. energy: -0.000 local terms energy: -22.709703 where: bonds (distance) C4'-P energy: -3.516 bonds (distance) P-C4' energy: -5.494 flat angles C4'-P-C4' energy: -5.381 flat angles P-C4'-P energy: -3.153 tors. eta vs tors. theta energy: -5.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 80 Temperature: 1.000000 Total energy: -25.784535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.784535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.784535 (E_RNA) where: Base-Base interactions energy: -7.362 where: short stacking energy: -7.362 Base-Backbone interact. energy: -0.032 local terms energy: -18.390370 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.463 flat angles C4'-P-C4' energy: -4.489 flat angles P-C4'-P energy: -2.788 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: 4, replica: 5 ===================================== Write number: 80 Temperature: 1.050000 Total energy: -32.011994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.011994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.011994 (E_RNA) where: Base-Base interactions energy: -11.122 where: short stacking energy: -11.122 Base-Backbone interact. energy: -0.000 local terms energy: -20.889874 where: bonds (distance) C4'-P energy: -3.723 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -5.278 flat angles P-C4'-P energy: -3.686 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: 5, replica: 3 ===================================== Write number: 80 Temperature: 1.100000 Total energy: -33.836644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.836644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.836644 (E_RNA) where: Base-Base interactions energy: -16.204 where: short stacking energy: -16.204 Base-Backbone interact. energy: -0.000 local terms energy: -17.632378 where: bonds (distance) C4'-P energy: -3.640 bonds (distance) P-C4' energy: -4.022 flat angles C4'-P-C4' energy: -3.911 flat angles P-C4'-P energy: -0.696 tors. eta vs tors. theta energy: -5.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 80 Temperature: 1.150000 Total energy: -27.334451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.334451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.334451 (E_RNA) where: Base-Base interactions energy: -8.590 where: short stacking energy: -8.590 Base-Backbone interact. energy: -0.000 local terms energy: -18.744771 where: bonds (distance) C4'-P energy: -4.628 bonds (distance) P-C4' energy: -5.072 flat angles C4'-P-C4' energy: -5.298 flat angles P-C4'-P energy: -2.913 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: 7, replica: 9 ===================================== Write number: 80 Temperature: 1.200000 Total energy: -27.947600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.947600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.947600 (E_RNA) where: Base-Base interactions energy: -11.442 where: short stacking energy: -11.442 Base-Backbone interact. energy: -0.024 local terms energy: -16.481340 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -4.706 flat angles C4'-P-C4' energy: -1.684 flat angles P-C4'-P energy: -2.706 tors. eta vs tors. theta energy: -2.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 80 Temperature: 1.250000 Total energy: -29.420799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.420799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.420799 (E_RNA) where: Base-Base interactions energy: -11.659 where: short stacking energy: -11.659 Base-Backbone interact. energy: -0.111 local terms energy: -17.650737 where: bonds (distance) C4'-P energy: -2.915 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -4.215 flat angles P-C4'-P energy: -3.281 tors. eta vs tors. theta energy: -1.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 80 Temperature: 1.300000 Total energy: -27.021729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.021729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.021729 (E_RNA) where: Base-Base interactions energy: -11.095 where: short stacking energy: -11.095 Base-Backbone interact. energy: -0.000 local terms energy: -15.926963 where: bonds (distance) C4'-P energy: -4.547 bonds (distance) P-C4' energy: -4.185 flat angles C4'-P-C4' energy: -3.604 flat angles P-C4'-P energy: -2.600 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: 10, replica: 10 ===================================== Write number: 80 Temperature: 1.350000 Total energy: -24.081043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.081043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.081043 (E_RNA) where: Base-Base interactions energy: -6.903 where: short stacking energy: -6.903 Base-Backbone interact. energy: -0.003 local terms energy: -17.174925 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -1.906 flat angles P-C4'-P energy: -3.120 tors. eta vs tors. theta energy: -1.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 81 Temperature: 0.900000 Total energy: -38.103508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.103508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.103508 (E_RNA) where: Base-Base interactions energy: -15.272 where: short stacking energy: -15.272 Base-Backbone interact. energy: -0.002 local terms energy: -22.829693 where: bonds (distance) C4'-P energy: -5.283 bonds (distance) P-C4' energy: -5.730 flat angles C4'-P-C4' energy: -4.991 flat angles P-C4'-P energy: -4.236 tors. eta vs tors. theta energy: -2.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 81 Temperature: 0.950000 Total energy: -29.512121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.512121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.512121 (E_RNA) where: Base-Base interactions energy: -9.532 where: short stacking energy: -9.532 Base-Backbone interact. energy: -0.000 local terms energy: -19.979970 where: bonds (distance) C4'-P energy: -3.756 bonds (distance) P-C4' energy: -4.973 flat angles C4'-P-C4' energy: -5.466 flat angles P-C4'-P energy: -3.162 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: 3, replica: 6 ===================================== Write number: 81 Temperature: 1.000000 Total energy: -33.684113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.684113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.684113 (E_RNA) where: Base-Base interactions energy: -11.041 where: short stacking energy: -11.041 Base-Backbone interact. energy: -0.042 local terms energy: -22.601065 where: bonds (distance) C4'-P energy: -5.018 bonds (distance) P-C4' energy: -5.566 flat angles C4'-P-C4' energy: -4.944 flat angles P-C4'-P energy: -4.135 tors. eta vs tors. theta energy: -2.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 81 Temperature: 1.050000 Total energy: -32.105744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.105744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.105744 (E_RNA) where: Base-Base interactions energy: -14.395 where: short stacking energy: -14.395 Base-Backbone interact. energy: -0.000 local terms energy: -17.710857 where: bonds (distance) C4'-P energy: -4.459 bonds (distance) P-C4' energy: -4.639 flat angles C4'-P-C4' energy: -2.028 flat angles P-C4'-P energy: -3.842 tors. eta vs tors. theta energy: -2.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 81 Temperature: 1.100000 Total energy: -28.439618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.439618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.439618 (E_RNA) where: Base-Base interactions energy: -6.054 where: short stacking energy: -6.054 Base-Backbone interact. energy: -0.000 local terms energy: -22.385159 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -5.522 flat angles C4'-P-C4' energy: -4.062 flat angles P-C4'-P energy: -4.682 tors. eta vs tors. theta energy: -3.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 81 Temperature: 1.150000 Total energy: -29.618019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.618019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.618019 (E_RNA) where: Base-Base interactions energy: -7.025 where: short stacking energy: -7.025 Base-Backbone interact. energy: -0.003 local terms energy: -22.589413 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -3.991 flat angles C4'-P-C4' energy: -5.536 flat angles P-C4'-P energy: -4.512 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: 7, replica: 7 ===================================== Write number: 81 Temperature: 1.200000 Total energy: -33.777803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.777803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.777803 (E_RNA) where: Base-Base interactions energy: -14.112 where: short stacking energy: -14.112 Base-Backbone interact. energy: -0.000 local terms energy: -19.665985 where: bonds (distance) C4'-P energy: -2.592 bonds (distance) P-C4' energy: -3.851 flat angles C4'-P-C4' energy: -4.443 flat angles P-C4'-P energy: -3.896 tors. eta vs tors. theta energy: -4.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 81 Temperature: 1.250000 Total energy: -23.623696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.623696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.623696 (E_RNA) where: Base-Base interactions energy: -4.130 where: short stacking energy: -4.130 Base-Backbone interact. energy: -0.000 local terms energy: -19.493397 where: bonds (distance) C4'-P energy: -3.205 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -5.035 flat angles P-C4'-P energy: -4.789 tors. eta vs tors. theta energy: -0.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 81 Temperature: 1.300000 Total energy: -27.996420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.996420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.996420 (E_RNA) where: Base-Base interactions energy: -9.761 where: short stacking energy: -9.761 Base-Backbone interact. energy: -0.005 local terms energy: -18.230545 where: bonds (distance) C4'-P energy: -2.327 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.670 flat angles P-C4'-P energy: -3.003 tors. eta vs tors. theta energy: -1.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 81 Temperature: 1.350000 Total energy: -26.636306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.636306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.636306 (E_RNA) where: Base-Base interactions energy: -7.639 where: short stacking energy: -7.839 Base-Backbone interact. energy: -0.104 local terms energy: -18.893741 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -3.877 flat angles P-C4'-P energy: -2.803 tors. eta vs tors. theta energy: -1.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 82 Temperature: 0.900000 Total energy: -34.447247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.447247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.447247 (E_RNA) where: Base-Base interactions energy: -11.269 where: short stacking energy: -11.269 Base-Backbone interact. energy: -0.070 local terms energy: -23.108433 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -5.219 flat angles P-C4'-P energy: -4.656 tors. eta vs tors. theta energy: -3.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 82 Temperature: 0.950000 Total energy: -38.001575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.001575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.001575 (E_RNA) where: Base-Base interactions energy: -14.232 where: short stacking energy: -14.232 Base-Backbone interact. energy: -0.000 local terms energy: -23.769321 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.124 flat angles P-C4'-P energy: -2.742 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: 3, replica: 3 ===================================== Write number: 82 Temperature: 1.000000 Total energy: -37.285263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.285263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.285263 (E_RNA) where: Base-Base interactions energy: -11.776 where: short stacking energy: -11.776 Base-Backbone interact. energy: -0.000 local terms energy: -25.509442 where: bonds (distance) C4'-P energy: -4.637 bonds (distance) P-C4' energy: -5.040 flat angles C4'-P-C4' energy: -5.416 flat angles P-C4'-P energy: -4.485 tors. eta vs tors. theta energy: -5.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 82 Temperature: 1.050000 Total energy: -29.853826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.853826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.853826 (E_RNA) where: Base-Base interactions energy: -10.076 where: short stacking energy: -10.076 Base-Backbone interact. energy: -0.005 local terms energy: -19.773049 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.236 flat angles P-C4'-P energy: -3.892 tors. eta vs tors. theta energy: -0.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 82 Temperature: 1.100000 Total energy: -31.840412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.840412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.840412 (E_RNA) where: Base-Base interactions energy: -10.442 where: short stacking energy: -10.442 Base-Backbone interact. energy: -0.092 local terms energy: -21.306275 where: bonds (distance) C4'-P energy: -3.784 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.152 flat angles P-C4'-P energy: -3.888 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: 6, replica: 5 ===================================== Write number: 82 Temperature: 1.150000 Total energy: -28.239279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.239279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.239279 (E_RNA) where: Base-Base interactions energy: -11.035 where: short stacking energy: -8.900 Base-Backbone interact. energy: -0.021 local terms energy: -17.183181 where: bonds (distance) C4'-P energy: -4.351 bonds (distance) P-C4' energy: -4.832 flat angles C4'-P-C4' energy: -3.380 flat angles P-C4'-P energy: -4.483 tors. eta vs tors. theta energy: -0.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 82 Temperature: 1.200000 Total energy: -28.303493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.303493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.303493 (E_RNA) where: Base-Base interactions energy: -5.487 where: short stacking energy: -5.487 Base-Backbone interact. energy: -0.000 local terms energy: -22.816218 where: bonds (distance) C4'-P energy: -4.617 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -3.932 flat angles P-C4'-P energy: -4.146 tors. eta vs tors. theta energy: -4.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 82 Temperature: 1.250000 Total energy: -24.830228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.830228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.830228 (E_RNA) where: Base-Base interactions energy: -8.594 where: short stacking energy: -8.594 Base-Backbone interact. energy: -0.000 local terms energy: -16.235628 where: bonds (distance) C4'-P energy: -5.018 bonds (distance) P-C4' energy: -4.618 flat angles C4'-P-C4' energy: -3.452 flat angles P-C4'-P energy: -2.031 tors. eta vs tors. theta energy: -1.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 82 Temperature: 1.300000 Total energy: -24.881737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.881737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.881737 (E_RNA) where: Base-Base interactions energy: -6.951 where: short stacking energy: -6.951 Base-Backbone interact. energy: -0.000 local terms energy: -17.930531 where: bonds (distance) C4'-P energy: -3.775 bonds (distance) P-C4' energy: -3.609 flat angles C4'-P-C4' energy: -5.819 flat angles P-C4'-P energy: -0.706 tors. eta vs tors. theta energy: -4.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 82 Temperature: 1.350000 Total energy: -26.569852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.569852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.569852 (E_RNA) where: Base-Base interactions energy: -6.039 where: short stacking energy: -6.039 Base-Backbone interact. energy: -0.000 local terms energy: -20.530399 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -3.252 flat angles C4'-P-C4' energy: -4.956 flat angles P-C4'-P energy: -3.551 tors. eta vs tors. theta energy: -3.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 83 Temperature: 0.900000 Total energy: -36.538244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.538244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.538244 (E_RNA) where: Base-Base interactions energy: -13.668 where: short stacking energy: -13.668 Base-Backbone interact. energy: -0.000 local terms energy: -22.870235 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -4.599 flat angles C4'-P-C4' energy: -4.902 flat angles P-C4'-P energy: -3.928 tors. eta vs tors. theta energy: -4.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 83 Temperature: 0.950000 Total energy: -38.067362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.067362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.067362 (E_RNA) where: Base-Base interactions energy: -14.760 where: short stacking energy: -14.760 Base-Backbone interact. energy: -0.000 local terms energy: -23.307558 where: bonds (distance) C4'-P energy: -4.281 bonds (distance) P-C4' energy: -5.075 flat angles C4'-P-C4' energy: -5.550 flat angles P-C4'-P energy: -2.917 tors. eta vs tors. theta energy: -5.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 83 Temperature: 1.000000 Total energy: -33.902928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.902928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.902928 (E_RNA) where: Base-Base interactions energy: -14.370 where: short stacking energy: -14.370 Base-Backbone interact. energy: -0.031 local terms energy: -19.502020 where: bonds (distance) C4'-P energy: -4.529 bonds (distance) P-C4' energy: -4.406 flat angles C4'-P-C4' energy: -4.575 flat angles P-C4'-P energy: -3.506 tors. eta vs tors. theta energy: -2.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 83 Temperature: 1.050000 Total energy: -32.981631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.981631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.981631 (E_RNA) where: Base-Base interactions energy: -12.018 where: short stacking energy: -12.018 Base-Backbone interact. energy: -0.000 local terms energy: -20.963322 where: bonds (distance) C4'-P energy: -4.609 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.774 flat angles P-C4'-P energy: -3.054 tors. eta vs tors. theta energy: -2.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 83 Temperature: 1.100000 Total energy: -28.595982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.595982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.595982 (E_RNA) where: Base-Base interactions energy: -8.102 where: short stacking energy: -8.102 Base-Backbone interact. energy: -0.001 local terms energy: -20.492921 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.991 flat angles P-C4'-P energy: -2.194 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: 6, replica: 1 ===================================== Write number: 83 Temperature: 1.150000 Total energy: -29.569596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.569596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.569596 (E_RNA) where: Base-Base interactions energy: -7.693 where: short stacking energy: -7.693 Base-Backbone interact. energy: -0.034 local terms energy: -21.843392 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.344 flat angles P-C4'-P energy: -4.027 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: 7, replica: 5 ===================================== Write number: 83 Temperature: 1.200000 Total energy: -27.782042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.782042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.782042 (E_RNA) where: Base-Base interactions energy: -8.398 where: short stacking energy: -8.398 Base-Backbone interact. energy: -0.039 local terms energy: -19.344486 where: bonds (distance) C4'-P energy: -4.663 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.802 flat angles P-C4'-P energy: -4.767 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: 8, replica: 10 ===================================== Write number: 83 Temperature: 1.250000 Total energy: -26.843302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.843302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.843302 (E_RNA) where: Base-Base interactions energy: -7.870 where: short stacking energy: -7.870 Base-Backbone interact. energy: -0.041 local terms energy: -18.932517 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -4.709 flat angles C4'-P-C4' energy: -4.691 flat angles P-C4'-P energy: -0.735 tors. eta vs tors. theta energy: -3.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 83 Temperature: 1.300000 Total energy: -25.988447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.988447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.988447 (E_RNA) where: Base-Base interactions energy: -7.598 where: short stacking energy: -7.598 Base-Backbone interact. energy: -0.000 local terms energy: -18.390924 where: bonds (distance) C4'-P energy: -3.615 bonds (distance) P-C4' energy: -4.691 flat angles C4'-P-C4' energy: -3.530 flat angles P-C4'-P energy: -2.782 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: 10, replica: 8 ===================================== Write number: 83 Temperature: 1.350000 Total energy: -23.345236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.345236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.345236 (E_RNA) where: Base-Base interactions energy: -6.927 where: short stacking energy: -6.927 Base-Backbone interact. energy: -0.060 local terms energy: -16.357996 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -0.667 flat angles P-C4'-P energy: -2.773 tors. eta vs tors. theta energy: -2.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 84 Temperature: 0.900000 Total energy: -35.093748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.093748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.093748 (E_RNA) where: Base-Base interactions energy: -13.038 where: short stacking energy: -11.313 Base-Backbone interact. energy: -0.090 local terms energy: -21.965749 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -5.501 flat angles C4'-P-C4' energy: -5.206 flat angles P-C4'-P energy: -2.760 tors. eta vs tors. theta energy: -3.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 84 Temperature: 0.950000 Total energy: -33.471723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.471723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.471723 (E_RNA) where: Base-Base interactions energy: -11.666 where: short stacking energy: -11.666 Base-Backbone interact. energy: -0.000 local terms energy: -21.806185 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -5.308 flat angles C4'-P-C4' energy: -4.119 flat angles P-C4'-P energy: -4.522 tors. eta vs tors. theta energy: -2.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 84 Temperature: 1.000000 Total energy: -30.137193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.137193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.137193 (E_RNA) where: Base-Base interactions energy: -11.452 where: short stacking energy: -11.452 Base-Backbone interact. energy: -0.020 local terms energy: -18.664786 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -3.994 flat angles C4'-P-C4' energy: -4.434 flat angles P-C4'-P energy: -4.248 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: 4, replica: 2 ===================================== Write number: 84 Temperature: 1.050000 Total energy: -26.939801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.939801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.939801 (E_RNA) where: Base-Base interactions energy: -7.509 where: short stacking energy: -7.509 Base-Backbone interact. energy: 0.149 local terms energy: -19.579843 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -4.875 flat angles C4'-P-C4' energy: -3.945 flat angles P-C4'-P energy: -4.007 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: 1 ===================================== Write number: 84 Temperature: 1.100000 Total energy: -26.609033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.609033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.609033 (E_RNA) where: Base-Base interactions energy: -10.433 where: short stacking energy: -10.433 Base-Backbone interact. energy: -0.041 local terms energy: -16.135005 where: bonds (distance) C4'-P energy: -1.644 bonds (distance) P-C4' energy: -3.486 flat angles C4'-P-C4' energy: -3.701 flat angles P-C4'-P energy: -4.080 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: 6, replica: 9 ===================================== Write number: 84 Temperature: 1.150000 Total energy: -28.544748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.544748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.544748 (E_RNA) where: Base-Base interactions energy: -5.912 where: short stacking energy: -5.912 Base-Backbone interact. energy: -0.100 local terms energy: -22.532683 where: bonds (distance) C4'-P energy: -3.933 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -5.305 flat angles P-C4'-P energy: -4.401 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: 10 ===================================== Write number: 84 Temperature: 1.200000 Total energy: -32.100593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.100593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.100593 (E_RNA) where: Base-Base interactions energy: -10.776 where: short stacking energy: -10.776 Base-Backbone interact. energy: -0.265 local terms energy: -21.059885 where: bonds (distance) C4'-P energy: -4.725 bonds (distance) P-C4' energy: -4.706 flat angles C4'-P-C4' energy: -5.431 flat angles P-C4'-P energy: -3.778 tors. eta vs tors. theta energy: -2.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 84 Temperature: 1.250000 Total energy: -25.723876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.723876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.723876 (E_RNA) where: Base-Base interactions energy: -7.807 where: short stacking energy: -7.807 Base-Backbone interact. energy: -0.002 local terms energy: -17.914873 where: bonds (distance) C4'-P energy: -3.777 bonds (distance) P-C4' energy: -5.231 flat angles C4'-P-C4' energy: -3.870 flat angles P-C4'-P energy: -3.762 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: 9, replica: 8 ===================================== Write number: 84 Temperature: 1.300000 Total energy: -24.964335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.964335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.964335 (E_RNA) where: Base-Base interactions energy: -5.324 where: short stacking energy: -5.324 Base-Backbone interact. energy: -0.000 local terms energy: -19.640431 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -4.783 flat angles C4'-P-C4' energy: -4.058 flat angles P-C4'-P energy: -3.223 tors. eta vs tors. theta energy: -2.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 84 Temperature: 1.350000 Total energy: -33.397696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.397696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.397696 (E_RNA) where: Base-Base interactions energy: -11.783 where: short stacking energy: -11.783 Base-Backbone interact. energy: -0.065 local terms energy: -21.549161 where: bonds (distance) C4'-P energy: -4.571 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -3.044 flat angles P-C4'-P energy: -4.439 tors. eta vs tors. theta energy: -3.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 85 Temperature: 0.900000 Total energy: -37.854824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.854824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.854824 (E_RNA) where: Base-Base interactions energy: -16.015 where: short stacking energy: -16.015 Base-Backbone interact. energy: -0.042 local terms energy: -21.798417 where: bonds (distance) C4'-P energy: -4.413 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -4.914 flat angles P-C4'-P energy: -3.610 tors. eta vs tors. theta energy: -3.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 85 Temperature: 0.950000 Total energy: -39.058264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.058264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.058264 (E_RNA) where: Base-Base interactions energy: -17.348 where: short stacking energy: -17.348 Base-Backbone interact. energy: -0.001 local terms energy: -21.709487 where: bonds (distance) C4'-P energy: -4.199 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.611 flat angles P-C4'-P energy: -4.074 tors. eta vs tors. theta energy: -2.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 85 Temperature: 1.000000 Total energy: -31.997593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.997593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.997593 (E_RNA) where: Base-Base interactions energy: -11.299 where: short stacking energy: -11.299 Base-Backbone interact. energy: -0.172 local terms energy: -20.526446 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -3.729 flat angles P-C4'-P energy: -4.580 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: 4, replica: 1 ===================================== Write number: 85 Temperature: 1.050000 Total energy: -32.114315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.114315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.114315 (E_RNA) where: Base-Base interactions energy: -12.519 where: short stacking energy: -12.519 Base-Backbone interact. energy: -0.000 local terms energy: -19.595480 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -2.897 flat angles P-C4'-P energy: -3.187 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: 5, replica: 2 ===================================== Write number: 85 Temperature: 1.100000 Total energy: -29.129403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.129403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.129403 (E_RNA) where: Base-Base interactions energy: -11.700 where: short stacking energy: -11.700 Base-Backbone interact. energy: -0.023 local terms energy: -17.406213 where: bonds (distance) C4'-P energy: -2.833 bonds (distance) P-C4' energy: -5.100 flat angles C4'-P-C4' energy: -3.803 flat angles P-C4'-P energy: -3.659 tors. eta vs tors. theta energy: -2.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 85 Temperature: 1.150000 Total energy: -31.613241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.613241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.613241 (E_RNA) where: Base-Base interactions energy: -10.768 where: short stacking energy: -10.768 Base-Backbone interact. energy: -0.000 local terms energy: -20.845284 where: bonds (distance) C4'-P energy: -4.778 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -1.964 flat angles P-C4'-P energy: -4.930 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: 7, replica: 9 ===================================== Write number: 85 Temperature: 1.200000 Total energy: -30.478342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.478342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.478342 (E_RNA) where: Base-Base interactions energy: -8.142 where: short stacking energy: -8.142 Base-Backbone interact. energy: -0.000 local terms energy: -22.336125 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -4.522 flat angles C4'-P-C4' energy: -5.564 flat angles P-C4'-P energy: -3.231 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: 8, replica: 8 ===================================== Write number: 85 Temperature: 1.250000 Total energy: -30.490085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.490085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.490085 (E_RNA) where: Base-Base interactions energy: -12.087 where: short stacking energy: -12.087 Base-Backbone interact. energy: -0.055 local terms energy: -18.348719 where: bonds (distance) C4'-P energy: -2.083 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -3.855 flat angles P-C4'-P energy: -3.659 tors. eta vs tors. theta energy: -3.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 85 Temperature: 1.300000 Total energy: -29.596662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.596662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.596662 (E_RNA) where: Base-Base interactions energy: -10.368 where: short stacking energy: -10.368 Base-Backbone interact. energy: -0.013 local terms energy: -19.215034 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.075 flat angles C4'-P-C4' energy: -4.691 flat angles P-C4'-P energy: -3.156 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: 7 ===================================== Write number: 85 Temperature: 1.350000 Total energy: -25.064395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.064395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.064395 (E_RNA) where: Base-Base interactions energy: -5.831 where: short stacking energy: -5.831 Base-Backbone interact. energy: -0.001 local terms energy: -19.232769 where: bonds (distance) C4'-P energy: -4.041 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -5.171 flat angles P-C4'-P energy: -2.346 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: 1, replica: 4 ===================================== Write number: 86 Temperature: 0.900000 Total energy: -39.846637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.846637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.846637 (E_RNA) where: Base-Base interactions energy: -15.736 where: short stacking energy: -15.736 Base-Backbone interact. energy: -0.000 local terms energy: -24.110217 where: bonds (distance) C4'-P energy: -3.747 bonds (distance) P-C4' energy: -5.333 flat angles C4'-P-C4' energy: -5.260 flat angles P-C4'-P energy: -4.081 tors. eta vs tors. theta energy: -5.689 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: 2, replica: 3 ===================================== Write number: 86 Temperature: 0.950000 Total energy: -35.989490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.989490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.989490 (E_RNA) where: Base-Base interactions energy: -11.572 where: short stacking energy: -11.572 Base-Backbone interact. energy: -0.000 local terms energy: -24.417784 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.789 flat angles P-C4'-P energy: -3.095 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: 3, replica: 1 ===================================== Write number: 86 Temperature: 1.000000 Total energy: -32.501493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.501493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.501493 (E_RNA) where: Base-Base interactions energy: -11.753 where: short stacking energy: -11.753 Base-Backbone interact. energy: -0.000 local terms energy: -20.748153 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -4.526 flat angles C4'-P-C4' energy: -5.146 flat angles P-C4'-P energy: -3.515 tors. eta vs tors. theta energy: -2.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 86 Temperature: 1.050000 Total energy: -30.725382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.725382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.725382 (E_RNA) where: Base-Base interactions energy: -10.801 where: short stacking energy: -10.801 Base-Backbone interact. energy: -0.000 local terms energy: -19.924881 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -3.813 flat angles P-C4'-P energy: -1.879 tors. eta vs tors. theta energy: -2.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 86 Temperature: 1.100000 Total energy: -31.714801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.714801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.714801 (E_RNA) where: Base-Base interactions energy: -11.687 where: short stacking energy: -11.687 Base-Backbone interact. energy: -0.015 local terms energy: -20.013225 where: bonds (distance) C4'-P energy: -3.421 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -3.676 flat angles P-C4'-P energy: -4.206 tors. eta vs tors. theta energy: -3.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 86 Temperature: 1.150000 Total energy: -28.201340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.201340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.201340 (E_RNA) where: Base-Base interactions energy: -8.733 where: short stacking energy: -8.733 Base-Backbone interact. energy: -0.011 local terms energy: -19.456664 where: bonds (distance) C4'-P energy: -4.653 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -4.496 flat angles P-C4'-P energy: -2.030 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: 7, replica: 9 ===================================== Write number: 86 Temperature: 1.200000 Total energy: -27.963849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.963849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.963849 (E_RNA) where: Base-Base interactions energy: -8.904 where: short stacking energy: -8.904 Base-Backbone interact. energy: -0.000 local terms energy: -19.059767 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -4.843 flat angles P-C4'-P energy: -2.402 tors. eta vs tors. theta energy: -0.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 86 Temperature: 1.250000 Total energy: -30.237607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.237607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.237607 (E_RNA) where: Base-Base interactions energy: -9.101 where: short stacking energy: -9.101 Base-Backbone interact. energy: -0.012 local terms energy: -21.124194 where: bonds (distance) C4'-P energy: -4.421 bonds (distance) P-C4' energy: -5.569 flat angles C4'-P-C4' energy: -3.775 flat angles P-C4'-P energy: -4.200 tors. eta vs tors. theta energy: -3.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 86 Temperature: 1.300000 Total energy: -23.965542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.965542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.965542 (E_RNA) where: Base-Base interactions energy: -6.962 where: short stacking energy: -6.962 Base-Backbone interact. energy: 1.047 local terms energy: -18.050013 where: bonds (distance) C4'-P energy: -3.660 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -4.119 flat angles P-C4'-P energy: -0.579 tors. eta vs tors. theta energy: -4.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 86 Temperature: 1.350000 Total energy: -26.500663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.500663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.500663 (E_RNA) where: Base-Base interactions energy: -9.252 where: short stacking energy: -9.252 Base-Backbone interact. energy: -0.002 local terms energy: -17.246349 where: bonds (distance) C4'-P energy: -2.078 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -0.518 flat angles P-C4'-P energy: -3.874 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: 1, replica: 4 ===================================== Write number: 87 Temperature: 0.900000 Total energy: -34.809465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.809465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.809465 (E_RNA) where: Base-Base interactions energy: -13.514 where: short stacking energy: -13.514 Base-Backbone interact. energy: -0.000 local terms energy: -21.295040 where: bonds (distance) C4'-P energy: -3.752 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.486 flat angles P-C4'-P energy: -3.612 tors. eta vs tors. theta energy: -2.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 87 Temperature: 0.950000 Total energy: -35.649576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.649576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.649576 (E_RNA) where: Base-Base interactions energy: -12.950 where: short stacking energy: -12.950 Base-Backbone interact. energy: -0.003 local terms energy: -22.697185 where: bonds (distance) C4'-P energy: -3.607 bonds (distance) P-C4' energy: -5.783 flat angles C4'-P-C4' energy: -5.662 flat angles P-C4'-P energy: -3.535 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: 3 ===================================== Write number: 87 Temperature: 1.000000 Total energy: -36.279239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.279239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.279239 (E_RNA) where: Base-Base interactions energy: -15.597 where: short stacking energy: -15.597 Base-Backbone interact. energy: -0.000 local terms energy: -20.681811 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -4.772 flat angles P-C4'-P energy: -2.354 tors. eta vs tors. theta energy: -3.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 87 Temperature: 1.050000 Total energy: -28.747885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.747885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.747885 (E_RNA) where: Base-Base interactions energy: -9.251 where: short stacking energy: -9.251 Base-Backbone interact. energy: -0.000 local terms energy: -19.496498 where: bonds (distance) C4'-P energy: -3.909 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -3.674 flat angles P-C4'-P energy: -1.933 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: 5, replica: 6 ===================================== Write number: 87 Temperature: 1.100000 Total energy: -31.373859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.373859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.373859 (E_RNA) where: Base-Base interactions energy: -10.704 where: short stacking energy: -10.704 Base-Backbone interact. energy: -0.079 local terms energy: -20.591305 where: bonds (distance) C4'-P energy: -4.307 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -3.517 flat angles P-C4'-P energy: -4.591 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: 6, replica: 9 ===================================== Write number: 87 Temperature: 1.150000 Total energy: -26.084750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.084750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.084750 (E_RNA) where: Base-Base interactions energy: -7.758 where: short stacking energy: -7.758 Base-Backbone interact. energy: -0.209 local terms energy: -18.117338 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -3.056 flat angles C4'-P-C4' energy: -3.820 flat angles P-C4'-P energy: -4.285 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: 7, replica: 2 ===================================== Write number: 87 Temperature: 1.200000 Total energy: -30.759610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.759610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.759610 (E_RNA) where: Base-Base interactions energy: -10.835 where: short stacking energy: -10.835 Base-Backbone interact. energy: -0.049 local terms energy: -19.876175 where: bonds (distance) C4'-P energy: -4.493 bonds (distance) P-C4' energy: -4.534 flat angles C4'-P-C4' energy: -4.585 flat angles P-C4'-P energy: -2.515 tors. eta vs tors. theta energy: -3.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 87 Temperature: 1.250000 Total energy: -29.133822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.133822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.133822 (E_RNA) where: Base-Base interactions energy: -11.013 where: short stacking energy: -11.013 Base-Backbone interact. energy: -0.031 local terms energy: -18.090316 where: bonds (distance) C4'-P energy: -4.227 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -2.614 flat angles P-C4'-P energy: -1.709 tors. eta vs tors. theta energy: -3.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 87 Temperature: 1.300000 Total energy: -26.812984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.812984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.812984 (E_RNA) where: Base-Base interactions energy: -9.207 where: short stacking energy: -9.207 Base-Backbone interact. energy: -0.000 local terms energy: -17.606329 where: bonds (distance) C4'-P energy: -4.787 bonds (distance) P-C4' energy: -3.765 flat angles C4'-P-C4' energy: -3.679 flat angles P-C4'-P energy: -3.337 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: 10, replica: 5 ===================================== Write number: 87 Temperature: 1.350000 Total energy: -26.890087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.890087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.890087 (E_RNA) where: Base-Base interactions energy: -6.538 where: short stacking energy: -6.538 Base-Backbone interact. energy: -0.003 local terms energy: -20.349943 where: bonds (distance) C4'-P energy: -4.165 bonds (distance) P-C4' energy: -5.540 flat angles C4'-P-C4' energy: -3.842 flat angles P-C4'-P energy: -3.118 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: 1, replica: 4 ===================================== Write number: 88 Temperature: 0.900000 Total energy: -37.100925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.100925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.100925 (E_RNA) where: Base-Base interactions energy: -15.988 where: short stacking energy: -15.988 Base-Backbone interact. energy: -0.000 local terms energy: -21.112952 where: bonds (distance) C4'-P energy: -3.382 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -5.012 flat angles P-C4'-P energy: -3.978 tors. eta vs tors. theta energy: -3.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 88 Temperature: 0.950000 Total energy: -33.293071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.293071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.293071 (E_RNA) where: Base-Base interactions energy: -12.323 where: short stacking energy: -12.323 Base-Backbone interact. energy: -0.003 local terms energy: -20.966677 where: bonds (distance) C4'-P energy: -4.873 bonds (distance) P-C4' energy: -4.807 flat angles C4'-P-C4' energy: -5.096 flat angles P-C4'-P energy: -4.179 tors. eta vs tors. theta energy: -2.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 88 Temperature: 1.000000 Total energy: -33.482221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.482221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.482221 (E_RNA) where: Base-Base interactions energy: -11.297 where: short stacking energy: -11.297 Base-Backbone interact. energy: -0.001 local terms energy: -22.184077 where: bonds (distance) C4'-P energy: -4.227 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.360 flat angles P-C4'-P energy: -3.173 tors. eta vs tors. theta energy: -4.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 88 Temperature: 1.050000 Total energy: -30.720206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.720206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.720206 (E_RNA) where: Base-Base interactions energy: -8.809 where: short stacking energy: -8.809 Base-Backbone interact. energy: -0.000 local terms energy: -21.911214 where: bonds (distance) C4'-P energy: -4.501 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -3.704 flat angles P-C4'-P energy: -3.388 tors. eta vs tors. theta energy: -4.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 88 Temperature: 1.100000 Total energy: -30.798763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.798763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.798763 (E_RNA) where: Base-Base interactions energy: -8.666 where: short stacking energy: -8.666 Base-Backbone interact. energy: -0.001 local terms energy: -22.131379 where: bonds (distance) C4'-P energy: -4.989 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -5.236 flat angles P-C4'-P energy: -3.374 tors. eta vs tors. theta energy: -2.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 88 Temperature: 1.150000 Total energy: -26.432809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.432809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.432809 (E_RNA) where: Base-Base interactions energy: -7.227 where: short stacking energy: -7.227 Base-Backbone interact. energy: -0.075 local terms energy: -19.130243 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.293 flat angles P-C4'-P energy: -2.715 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: 7, replica: 8 ===================================== Write number: 88 Temperature: 1.200000 Total energy: -26.855265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.855265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.855265 (E_RNA) where: Base-Base interactions energy: -10.881 where: short stacking energy: -10.881 Base-Backbone interact. energy: -0.010 local terms energy: -15.964023 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -0.853 flat angles C4'-P-C4' energy: -5.543 flat angles P-C4'-P energy: -2.657 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: 8, replica: 2 ===================================== Write number: 88 Temperature: 1.250000 Total energy: -24.969121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.969121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.969121 (E_RNA) where: Base-Base interactions energy: -5.281 where: short stacking energy: -5.281 Base-Backbone interact. energy: -0.000 local terms energy: -19.688126 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -2.354 flat angles P-C4'-P energy: -2.589 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: 9, replica: 5 ===================================== Write number: 88 Temperature: 1.300000 Total energy: -26.561336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.561336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.561336 (E_RNA) where: Base-Base interactions energy: -6.939 where: short stacking energy: -6.939 Base-Backbone interact. energy: -0.000 local terms energy: -19.622162 where: bonds (distance) C4'-P energy: -4.219 bonds (distance) P-C4' energy: -5.047 flat angles C4'-P-C4' energy: -4.394 flat angles P-C4'-P energy: -3.776 tors. eta vs tors. theta energy: -2.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 88 Temperature: 1.350000 Total energy: -28.840588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.840588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.840588 (E_RNA) where: Base-Base interactions energy: -8.184 where: short stacking energy: -8.184 Base-Backbone interact. energy: -0.051 local terms energy: -20.605658 where: bonds (distance) C4'-P energy: -5.498 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -4.849 flat angles P-C4'-P energy: -4.610 tors. eta vs tors. theta energy: 0.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 89 Temperature: 0.900000 Total energy: -34.869888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.869888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.869888 (E_RNA) where: Base-Base interactions energy: -11.932 where: short stacking energy: -11.932 Base-Backbone interact. energy: -0.006 local terms energy: -22.931896 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -3.554 flat angles P-C4'-P energy: -3.592 tors. eta vs tors. theta energy: -4.676 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: 2, replica: 1 ===================================== Write number: 89 Temperature: 0.950000 Total energy: -36.527584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.527584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.527584 (E_RNA) where: Base-Base interactions energy: -15.923 where: short stacking energy: -15.923 Base-Backbone interact. energy: -0.001 local terms energy: -20.603076 where: bonds (distance) C4'-P energy: -3.917 bonds (distance) P-C4' energy: -3.758 flat angles C4'-P-C4' energy: -5.254 flat angles P-C4'-P energy: -2.622 tors. eta vs tors. theta energy: -5.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 89 Temperature: 1.000000 Total energy: -27.930856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.930856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.930856 (E_RNA) where: Base-Base interactions energy: -8.088 where: short stacking energy: -8.088 Base-Backbone interact. energy: -0.097 local terms energy: -19.745776 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -3.963 flat angles C4'-P-C4' energy: -4.571 flat angles P-C4'-P energy: -4.293 tors. eta vs tors. theta energy: -1.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 89 Temperature: 1.050000 Total energy: -26.435601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.435601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.435601 (E_RNA) where: Base-Base interactions energy: -6.007 where: short stacking energy: -6.007 Base-Backbone interact. energy: -0.207 local terms energy: -20.221609 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.168 flat angles P-C4'-P energy: -4.607 tors. eta vs tors. theta energy: -0.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 89 Temperature: 1.100000 Total energy: -25.428632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.428632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.428632 (E_RNA) where: Base-Base interactions energy: -8.009 where: short stacking energy: -8.009 Base-Backbone interact. energy: -0.015 local terms energy: -17.404544 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -4.103 flat angles P-C4'-P energy: -3.615 tors. eta vs tors. theta energy: 0.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 89 Temperature: 1.150000 Total energy: -28.289578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.289578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.289578 (E_RNA) where: Base-Base interactions energy: -8.467 where: short stacking energy: -8.467 Base-Backbone interact. energy: -0.088 local terms energy: -19.734525 where: bonds (distance) C4'-P energy: -4.865 bonds (distance) P-C4' energy: -5.050 flat angles C4'-P-C4' energy: -4.597 flat angles P-C4'-P energy: -3.858 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: 7, replica: 6 ===================================== Write number: 89 Temperature: 1.200000 Total energy: -30.855740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.855740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.855740 (E_RNA) where: Base-Base interactions energy: -9.795 where: short stacking energy: -9.795 Base-Backbone interact. energy: -0.001 local terms energy: -21.059505 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -4.599 flat angles C4'-P-C4' energy: -5.203 flat angles P-C4'-P energy: -3.612 tors. eta vs tors. theta energy: -2.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 89 Temperature: 1.250000 Total energy: -28.003757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.003757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.003757 (E_RNA) where: Base-Base interactions energy: -8.008 where: short stacking energy: -8.008 Base-Backbone interact. energy: -0.000 local terms energy: -19.995612 where: bonds (distance) C4'-P energy: -4.385 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -4.988 flat angles P-C4'-P energy: -1.914 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: 2 ===================================== Write number: 89 Temperature: 1.300000 Total energy: -25.092781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.092781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.092781 (E_RNA) where: Base-Base interactions energy: -7.005 where: short stacking energy: -7.005 Base-Backbone interact. energy: -0.085 local terms energy: -18.003027 where: bonds (distance) C4'-P energy: -4.832 bonds (distance) P-C4' energy: -4.706 flat angles C4'-P-C4' energy: -5.028 flat angles P-C4'-P energy: -2.220 tors. eta vs tors. theta energy: -1.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 89 Temperature: 1.350000 Total energy: -25.301125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.301125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.301125 (E_RNA) where: Base-Base interactions energy: -10.451 where: short stacking energy: -10.451 Base-Backbone interact. energy: -0.001 local terms energy: -14.848705 where: bonds (distance) C4'-P energy: -2.443 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -2.333 flat angles P-C4'-P energy: -3.152 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: 1 ===================================== Write number: 90 Temperature: 0.900000 Total energy: -27.596390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.596390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.596390 (E_RNA) where: Base-Base interactions energy: -6.973 where: short stacking energy: -6.973 Base-Backbone interact. energy: -0.000 local terms energy: -20.623469 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -3.924 flat angles P-C4'-P energy: -3.324 tors. eta vs tors. theta energy: -2.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 90 Temperature: 0.950000 Total energy: -37.317327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.317327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.317327 (E_RNA) where: Base-Base interactions energy: -12.950 where: short stacking energy: -12.950 Base-Backbone interact. energy: -0.000 local terms energy: -24.367209 where: bonds (distance) C4'-P energy: -4.165 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.498 flat angles P-C4'-P energy: -4.370 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: 3, replica: 9 ===================================== Write number: 90 Temperature: 1.000000 Total energy: -32.541779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.541779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.541779 (E_RNA) where: Base-Base interactions energy: -12.205 where: short stacking energy: -12.205 Base-Backbone interact. energy: -0.003 local terms energy: -20.334481 where: bonds (distance) C4'-P energy: -3.374 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -4.342 flat angles P-C4'-P energy: -4.638 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: 10 ===================================== Write number: 90 Temperature: 1.050000 Total energy: -27.848125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.848125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.848125 (E_RNA) where: Base-Base interactions energy: -8.836 where: short stacking energy: -8.836 Base-Backbone interact. energy: -0.002 local terms energy: -19.010927 where: bonds (distance) C4'-P energy: -4.335 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.380 flat angles P-C4'-P energy: -2.017 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: 5, replica: 8 ===================================== Write number: 90 Temperature: 1.100000 Total energy: -26.632754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.632754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.632754 (E_RNA) where: Base-Base interactions energy: -11.418 where: short stacking energy: -11.418 Base-Backbone interact. energy: -0.008 local terms energy: -15.207218 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -5.065 flat angles C4'-P-C4' energy: -4.268 flat angles P-C4'-P energy: -1.311 tors. eta vs tors. theta energy: 0.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 90 Temperature: 1.150000 Total energy: -28.527491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.527491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.527491 (E_RNA) where: Base-Base interactions energy: -9.977 where: short stacking energy: -9.977 Base-Backbone interact. energy: -0.062 local terms energy: -18.487686 where: bonds (distance) C4'-P energy: -4.501 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.833 flat angles P-C4'-P energy: -3.276 tors. eta vs tors. theta energy: 0.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 90 Temperature: 1.200000 Total energy: -25.741725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.741725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.741725 (E_RNA) where: Base-Base interactions energy: -11.187 where: short stacking energy: -11.187 Base-Backbone interact. energy: -0.002 local terms energy: -14.552966 where: bonds (distance) C4'-P energy: -3.428 bonds (distance) P-C4' energy: -4.709 flat angles C4'-P-C4' energy: -2.237 flat angles P-C4'-P energy: -4.286 tors. eta vs tors. theta energy: 0.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 90 Temperature: 1.250000 Total energy: -29.492646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.492646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.492646 (E_RNA) where: Base-Base interactions energy: -11.783 where: short stacking energy: -11.783 Base-Backbone interact. energy: -0.000 local terms energy: -17.709268 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -3.987 flat angles C4'-P-C4' energy: -3.658 flat angles P-C4'-P energy: -2.110 tors. eta vs tors. theta energy: -3.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 90 Temperature: 1.300000 Total energy: -27.033992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.033992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.033992 (E_RNA) where: Base-Base interactions energy: -7.095 where: short stacking energy: -7.095 Base-Backbone interact. energy: -0.000 local terms energy: -19.938753 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -4.839 flat angles C4'-P-C4' energy: -2.995 flat angles P-C4'-P energy: -4.236 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: 10, replica: 2 ===================================== Write number: 90 Temperature: 1.350000 Total energy: -29.518545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.518545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.518545 (E_RNA) where: Base-Base interactions energy: -12.139 where: short stacking energy: -12.139 Base-Backbone interact. energy: -0.007 local terms energy: -17.371622 where: bonds (distance) C4'-P energy: -4.716 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -2.932 flat angles P-C4'-P energy: -1.776 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: 1, replica: 1 ===================================== Write number: 91 Temperature: 0.900000 Total energy: -37.983058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.983058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.983058 (E_RNA) where: Base-Base interactions energy: -14.712 where: short stacking energy: -14.712 Base-Backbone interact. energy: -0.000 local terms energy: -23.270782 where: bonds (distance) C4'-P energy: -4.628 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -5.410 flat angles P-C4'-P energy: -2.309 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: 9 ===================================== Write number: 91 Temperature: 0.950000 Total energy: -36.642233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.642233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.642233 (E_RNA) where: Base-Base interactions energy: -13.908 where: short stacking energy: -13.908 Base-Backbone interact. energy: -0.125 local terms energy: -22.609740 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -5.540 flat angles C4'-P-C4' energy: -4.977 flat angles P-C4'-P energy: -4.591 tors. eta vs tors. theta energy: -2.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 91 Temperature: 1.000000 Total energy: -30.231670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.231670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.231670 (E_RNA) where: Base-Base interactions energy: -11.025 where: short stacking energy: -11.025 Base-Backbone interact. energy: -0.000 local terms energy: -19.206800 where: bonds (distance) C4'-P energy: -3.747 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.458 flat angles P-C4'-P energy: -0.824 tors. eta vs tors. theta energy: -4.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 91 Temperature: 1.050000 Total energy: -30.237883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.237883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.237883 (E_RNA) where: Base-Base interactions energy: -11.703 where: short stacking energy: -11.703 Base-Backbone interact. energy: -0.001 local terms energy: -18.533780 where: bonds (distance) C4'-P energy: -3.374 bonds (distance) P-C4' energy: -5.759 flat angles C4'-P-C4' energy: -4.047 flat angles P-C4'-P energy: -2.960 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: 5, replica: 10 ===================================== Write number: 91 Temperature: 1.100000 Total energy: -34.179627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.179627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.179627 (E_RNA) where: Base-Base interactions energy: -12.287 where: short stacking energy: -12.287 Base-Backbone interact. energy: -0.000 local terms energy: -21.892512 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.354 flat angles P-C4'-P energy: -3.812 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: 6 ===================================== Write number: 91 Temperature: 1.150000 Total energy: -30.177806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.177806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.177806 (E_RNA) where: Base-Base interactions energy: -10.357 where: short stacking energy: -10.357 Base-Backbone interact. energy: -0.069 local terms energy: -19.751812 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -4.860 flat angles C4'-P-C4' energy: -4.492 flat angles P-C4'-P energy: -3.699 tors. eta vs tors. theta energy: -1.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 91 Temperature: 1.200000 Total energy: -34.333159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.333159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.333159 (E_RNA) where: Base-Base interactions energy: -11.418 where: short stacking energy: -11.418 Base-Backbone interact. energy: -0.000 local terms energy: -22.915241 where: bonds (distance) C4'-P energy: -5.018 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -4.842 flat angles P-C4'-P energy: -3.213 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: 8, replica: 5 ===================================== Write number: 91 Temperature: 1.250000 Total energy: -31.640985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.640985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.640985 (E_RNA) where: Base-Base interactions energy: -11.898 where: short stacking energy: -11.898 Base-Backbone interact. energy: -0.685 local terms energy: -19.058033 where: bonds (distance) C4'-P energy: -4.413 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -4.325 flat angles P-C4'-P energy: -2.581 tors. eta vs tors. theta energy: -2.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 91 Temperature: 1.300000 Total energy: -22.197435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.197435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.197435 (E_RNA) where: Base-Base interactions energy: -4.595 where: short stacking energy: -4.595 Base-Backbone interact. energy: -0.048 local terms energy: -17.554132 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -5.522 flat angles C4'-P-C4' energy: -3.878 flat angles P-C4'-P energy: -4.442 tors. eta vs tors. theta energy: 1.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 91 Temperature: 1.350000 Total energy: -24.537954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.537954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.537954 (E_RNA) where: Base-Base interactions energy: -6.867 where: short stacking energy: -6.867 Base-Backbone interact. energy: -0.005 local terms energy: -17.666194 where: bonds (distance) C4'-P energy: -4.058 bonds (distance) P-C4' energy: -6.020 flat angles C4'-P-C4' energy: -4.621 flat angles P-C4'-P energy: -1.839 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: 9 ===================================== Write number: 92 Temperature: 0.900000 Total energy: -34.580822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.580822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.580822 (E_RNA) where: Base-Base interactions energy: -13.342 where: short stacking energy: -13.342 Base-Backbone interact. energy: -0.001 local terms energy: -21.237976 where: bonds (distance) C4'-P energy: -4.335 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -4.169 flat angles P-C4'-P energy: -3.498 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: 2, replica: 1 ===================================== Write number: 92 Temperature: 0.950000 Total energy: -32.703081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.703081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.703081 (E_RNA) where: Base-Base interactions energy: -11.726 where: short stacking energy: -11.726 Base-Backbone interact. energy: -0.000 local terms energy: -20.977214 where: bonds (distance) C4'-P energy: -5.143 bonds (distance) P-C4' energy: -4.780 flat angles C4'-P-C4' energy: -4.730 flat angles P-C4'-P energy: -3.763 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: 3, replica: 8 ===================================== Write number: 92 Temperature: 1.000000 Total energy: -31.527839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.527839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.527839 (E_RNA) where: Base-Base interactions energy: -13.314 where: short stacking energy: -11.243 Base-Backbone interact. energy: -0.094 local terms energy: -18.120124 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -3.988 flat angles C4'-P-C4' energy: -5.613 flat angles P-C4'-P energy: -3.641 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: 4, replica: 4 ===================================== Write number: 92 Temperature: 1.050000 Total energy: -32.887826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.887826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.887826 (E_RNA) where: Base-Base interactions energy: -12.310 where: short stacking energy: -12.310 Base-Backbone interact. energy: -0.000 local terms energy: -20.577721 where: bonds (distance) C4'-P energy: -4.547 bonds (distance) P-C4' energy: -4.948 flat angles C4'-P-C4' energy: -2.875 flat angles P-C4'-P energy: -3.352 tors. eta vs tors. theta energy: -4.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 92 Temperature: 1.100000 Total energy: -30.284022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.284022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.284022 (E_RNA) where: Base-Base interactions energy: -12.422 where: short stacking energy: -12.422 Base-Backbone interact. energy: -0.003 local terms energy: -17.858604 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -4.418 flat angles C4'-P-C4' energy: -3.926 flat angles P-C4'-P energy: -3.268 tors. eta vs tors. theta energy: -1.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 92 Temperature: 1.150000 Total energy: -32.567808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.567808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.567808 (E_RNA) where: Base-Base interactions energy: -11.792 where: short stacking energy: -11.792 Base-Backbone interact. energy: -0.000 local terms energy: -20.776150 where: bonds (distance) C4'-P energy: -2.799 bonds (distance) P-C4' energy: -5.516 flat angles C4'-P-C4' energy: -4.267 flat angles P-C4'-P energy: -4.542 tors. eta vs tors. theta energy: -3.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 92 Temperature: 1.200000 Total energy: -27.950724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.950724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.950724 (E_RNA) where: Base-Base interactions energy: -7.902 where: short stacking energy: -7.902 Base-Backbone interact. energy: -0.092 local terms energy: -19.957212 where: bonds (distance) C4'-P energy: -4.501 bonds (distance) P-C4' energy: -6.020 flat angles C4'-P-C4' energy: -4.852 flat angles P-C4'-P energy: -3.819 tors. eta vs tors. theta energy: -0.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 92 Temperature: 1.250000 Total energy: -29.156843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.156843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.156843 (E_RNA) where: Base-Base interactions energy: -8.771 where: short stacking energy: -8.771 Base-Backbone interact. energy: -0.044 local terms energy: -20.341652 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -3.896 flat angles P-C4'-P energy: -3.416 tors. eta vs tors. theta energy: -2.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 92 Temperature: 1.300000 Total energy: -26.983175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.983175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.983175 (E_RNA) where: Base-Base interactions energy: -11.609 where: short stacking energy: -11.609 Base-Backbone interact. energy: -0.000 local terms energy: -15.373864 where: bonds (distance) C4'-P energy: -3.669 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -1.278 flat angles P-C4'-P energy: -2.445 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: 10, replica: 2 ===================================== Write number: 92 Temperature: 1.350000 Total energy: -25.852056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.852056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.852056 (E_RNA) where: Base-Base interactions energy: -9.279 where: short stacking energy: -9.279 Base-Backbone interact. energy: -0.000 local terms energy: -16.573222 where: bonds (distance) C4'-P energy: -3.259 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -5.241 flat angles P-C4'-P energy: -3.214 tors. eta vs tors. theta energy: 0.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 93 Temperature: 0.900000 Total energy: -29.161295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.161295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.161295 (E_RNA) where: Base-Base interactions energy: -10.136 where: short stacking energy: -10.136 Base-Backbone interact. energy: -0.076 local terms energy: -18.949061 where: bonds (distance) C4'-P energy: -4.529 bonds (distance) P-C4' energy: -5.237 flat angles C4'-P-C4' energy: -1.937 flat angles P-C4'-P energy: -3.985 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: 2, replica: 8 ===================================== Write number: 93 Temperature: 0.950000 Total energy: -31.387260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.387260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.387260 (E_RNA) where: Base-Base interactions energy: -9.649 where: short stacking energy: -9.649 Base-Backbone interact. energy: -0.000 local terms energy: -21.737893 where: bonds (distance) C4'-P energy: -5.167 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -4.922 flat angles P-C4'-P energy: -3.824 tors. eta vs tors. theta energy: -1.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 93 Temperature: 1.000000 Total energy: -31.139755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.139755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.139755 (E_RNA) where: Base-Base interactions energy: -7.889 where: short stacking energy: -7.889 Base-Backbone interact. energy: -0.072 local terms energy: -23.178422 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -4.497 flat angles P-C4'-P energy: -3.555 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: 4, replica: 6 ===================================== Write number: 93 Temperature: 1.050000 Total energy: -34.858421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.858421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.858421 (E_RNA) where: Base-Base interactions energy: -11.319 where: short stacking energy: -11.319 Base-Backbone interact. energy: -0.008 local terms energy: -23.530587 where: bonds (distance) C4'-P energy: -5.275 bonds (distance) P-C4' energy: -4.166 flat angles C4'-P-C4' energy: -5.168 flat angles P-C4'-P energy: -4.371 tors. eta vs tors. theta energy: -4.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 93 Temperature: 1.100000 Total energy: -35.557015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.557015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.557015 (E_RNA) where: Base-Base interactions energy: -13.752 where: short stacking energy: -13.752 Base-Backbone interact. energy: -0.000 local terms energy: -21.804544 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -6.020 flat angles C4'-P-C4' energy: -4.223 flat angles P-C4'-P energy: -3.360 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: 6, replica: 5 ===================================== Write number: 93 Temperature: 1.150000 Total energy: -30.045740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.045740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.045740 (E_RNA) where: Base-Base interactions energy: -12.066 where: short stacking energy: -12.066 Base-Backbone interact. energy: -0.000 local terms energy: -17.979484 where: bonds (distance) C4'-P energy: -5.143 bonds (distance) P-C4' energy: -4.550 flat angles C4'-P-C4' energy: -3.506 flat angles P-C4'-P energy: -3.209 tors. eta vs tors. theta energy: -1.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 93 Temperature: 1.200000 Total energy: -33.070749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.070749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.070749 (E_RNA) where: Base-Base interactions energy: -13.976 where: short stacking energy: -13.976 Base-Backbone interact. energy: -0.000 local terms energy: -19.094773 where: bonds (distance) C4'-P energy: -4.637 bonds (distance) P-C4' energy: -3.997 flat angles C4'-P-C4' energy: -3.094 flat angles P-C4'-P energy: -3.485 tors. eta vs tors. theta energy: -3.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 93 Temperature: 1.250000 Total energy: -26.866955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.866955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.866955 (E_RNA) where: Base-Base interactions energy: -10.848 where: short stacking energy: -10.848 Base-Backbone interact. energy: -0.031 local terms energy: -15.988034 where: bonds (distance) C4'-P energy: -4.219 bonds (distance) P-C4' energy: -1.480 flat angles C4'-P-C4' energy: -4.364 flat angles P-C4'-P energy: -2.247 tors. eta vs tors. theta energy: -3.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 93 Temperature: 1.300000 Total energy: -28.063792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.063792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.063792 (E_RNA) where: Base-Base interactions energy: -8.180 where: short stacking energy: -8.180 Base-Backbone interact. energy: -0.019 local terms energy: -19.864167 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.635 flat angles P-C4'-P energy: -2.076 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: 2 ===================================== Write number: 93 Temperature: 1.350000 Total energy: -28.614050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.614050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.614050 (E_RNA) where: Base-Base interactions energy: -8.566 where: short stacking energy: -8.566 Base-Backbone interact. energy: -0.000 local terms energy: -20.048041 where: bonds (distance) C4'-P energy: -4.787 bonds (distance) P-C4' energy: -6.256 flat angles C4'-P-C4' energy: -4.197 flat angles P-C4'-P energy: -4.171 tors. eta vs tors. theta energy: -0.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 94 Temperature: 0.900000 Total energy: -37.836408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.836408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.836408 (E_RNA) where: Base-Base interactions energy: -14.036 where: short stacking energy: -14.036 Base-Backbone interact. energy: -0.000 local terms energy: -23.799940 where: bonds (distance) C4'-P energy: -5.498 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -4.650 flat angles P-C4'-P energy: -4.053 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: 9 ===================================== Write number: 94 Temperature: 0.950000 Total energy: -34.494990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.494990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.494990 (E_RNA) where: Base-Base interactions energy: -13.916 where: short stacking energy: -13.916 Base-Backbone interact. energy: -0.033 local terms energy: -20.546647 where: bonds (distance) C4'-P energy: -4.389 bonds (distance) P-C4' energy: -4.227 flat angles C4'-P-C4' energy: -5.068 flat angles P-C4'-P energy: -3.824 tors. eta vs tors. theta energy: -3.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 94 Temperature: 1.000000 Total energy: -37.704010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.704010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.704010 (E_RNA) where: Base-Base interactions energy: -12.739 where: short stacking energy: -12.739 Base-Backbone interact. energy: -0.001 local terms energy: -24.963501 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.516 flat angles C4'-P-C4' energy: -4.651 flat angles P-C4'-P energy: -4.192 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: 4, replica: 1 ===================================== Write number: 94 Temperature: 1.050000 Total energy: -28.997655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.997655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.997655 (E_RNA) where: Base-Base interactions energy: -10.135 where: short stacking energy: -10.135 Base-Backbone interact. energy: -0.071 local terms energy: -18.791486 where: bonds (distance) C4'-P energy: -4.547 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.736 flat angles P-C4'-P energy: -0.357 tors. eta vs tors. theta energy: -3.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 94 Temperature: 1.100000 Total energy: -27.817802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.817802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.817802 (E_RNA) where: Base-Base interactions energy: -7.575 where: short stacking energy: -7.575 Base-Backbone interact. energy: -0.262 local terms energy: -19.980935 where: bonds (distance) C4'-P energy: -4.911 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -3.502 flat angles P-C4'-P energy: -3.430 tors. eta vs tors. theta energy: -2.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 94 Temperature: 1.150000 Total energy: -30.688947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.688947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.688947 (E_RNA) where: Base-Base interactions energy: -11.331 where: short stacking energy: -11.331 Base-Backbone interact. energy: -0.000 local terms energy: -19.358034 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -4.875 flat angles C4'-P-C4' energy: -4.543 flat angles P-C4'-P energy: -1.309 tors. eta vs tors. theta energy: -3.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 94 Temperature: 1.200000 Total energy: -26.222570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.222570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.222570 (E_RNA) where: Base-Base interactions energy: -5.984 where: short stacking energy: -5.984 Base-Backbone interact. energy: -0.003 local terms energy: -20.236325 where: bonds (distance) C4'-P energy: -3.304 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -4.566 flat angles P-C4'-P energy: -3.739 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: 8, replica: 10 ===================================== Write number: 94 Temperature: 1.250000 Total energy: -27.968583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.968583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.968583 (E_RNA) where: Base-Base interactions energy: -10.008 where: short stacking energy: -10.008 Base-Backbone interact. energy: -0.001 local terms energy: -17.959441 where: bonds (distance) C4'-P energy: -4.537 bonds (distance) P-C4' energy: -4.227 flat angles C4'-P-C4' energy: -4.293 flat angles P-C4'-P energy: -3.452 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: 9, replica: 2 ===================================== Write number: 94 Temperature: 1.300000 Total energy: -23.241612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.241612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.241612 (E_RNA) where: Base-Base interactions energy: -7.010 where: short stacking energy: -7.010 Base-Backbone interact. energy: -0.000 local terms energy: -16.231126 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -4.452 flat angles C4'-P-C4' energy: -3.642 flat angles P-C4'-P energy: -1.387 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: 10, replica: 3 ===================================== Write number: 94 Temperature: 1.350000 Total energy: -25.481875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.481875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.481875 (E_RNA) where: Base-Base interactions energy: -6.753 where: short stacking energy: -6.753 Base-Backbone interact. energy: -0.000 local terms energy: -18.728886 where: bonds (distance) C4'-P energy: -4.663 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -2.756 flat angles P-C4'-P energy: -3.402 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: 1, replica: 8 ===================================== Write number: 95 Temperature: 0.900000 Total energy: -35.378336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.378336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.378336 (E_RNA) where: Base-Base interactions energy: -14.519 where: short stacking energy: -14.519 Base-Backbone interact. energy: -0.003 local terms energy: -20.856596 where: bonds (distance) C4'-P energy: -4.716 bonds (distance) P-C4' energy: -4.955 flat angles C4'-P-C4' energy: -5.414 flat angles P-C4'-P energy: -2.893 tors. eta vs tors. theta energy: -2.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 95 Temperature: 0.950000 Total energy: -32.190795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.190795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.190795 (E_RNA) where: Base-Base interactions energy: -11.814 where: short stacking energy: -11.814 Base-Backbone interact. energy: -0.053 local terms energy: -20.324291 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -5.298 flat angles C4'-P-C4' energy: -3.774 flat angles P-C4'-P energy: -4.361 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: 95 Temperature: 1.000000 Total energy: -33.063002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.063002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.063002 (E_RNA) where: Base-Base interactions energy: -11.685 where: short stacking energy: -11.685 Base-Backbone interact. energy: -0.000 local terms energy: -21.378393 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -5.450 flat angles P-C4'-P energy: -3.330 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: 4, replica: 4 ===================================== Write number: 95 Temperature: 1.050000 Total energy: -30.255374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.255374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.255374 (E_RNA) where: Base-Base interactions energy: -11.283 where: short stacking energy: -11.283 Base-Backbone interact. energy: -0.090 local terms energy: -18.882540 where: bonds (distance) C4'-P energy: -3.723 bonds (distance) P-C4' energy: -5.305 flat angles C4'-P-C4' energy: -5.236 flat angles P-C4'-P energy: -2.665 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: 5, replica: 1 ===================================== Write number: 95 Temperature: 1.100000 Total energy: -29.366033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.366033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.366033 (E_RNA) where: Base-Base interactions energy: -9.334 where: short stacking energy: -9.334 Base-Backbone interact. energy: -0.000 local terms energy: -20.032291 where: bonds (distance) C4'-P energy: -3.871 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -4.726 flat angles P-C4'-P energy: -3.177 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: 6, replica: 7 ===================================== Write number: 95 Temperature: 1.150000 Total energy: -27.386936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.386936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.386936 (E_RNA) where: Base-Base interactions energy: -11.317 where: short stacking energy: -11.317 Base-Backbone interact. energy: -0.000 local terms energy: -16.070073 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -3.132 flat angles C4'-P-C4' energy: -4.307 flat angles P-C4'-P energy: -0.329 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: 7, replica: 5 ===================================== Write number: 95 Temperature: 1.200000 Total energy: -29.486069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.486069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.486069 (E_RNA) where: Base-Base interactions energy: -7.628 where: short stacking energy: -7.628 Base-Backbone interact. energy: -0.086 local terms energy: -21.772384 where: bonds (distance) C4'-P energy: -4.637 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.780 flat angles P-C4'-P energy: -4.178 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: 2 ===================================== Write number: 95 Temperature: 1.250000 Total energy: -28.010031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.010031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.010031 (E_RNA) where: Base-Base interactions energy: -8.330 where: short stacking energy: -8.330 Base-Backbone interact. energy: -0.000 local terms energy: -19.679574 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -4.875 flat angles C4'-P-C4' energy: -4.740 flat angles P-C4'-P energy: -1.897 tors. eta vs tors. theta energy: -2.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 95 Temperature: 1.300000 Total energy: -28.189316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.189316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.189316 (E_RNA) where: Base-Base interactions energy: -7.233 where: short stacking energy: -7.233 Base-Backbone interact. energy: -0.000 local terms energy: -20.955833 where: bonds (distance) C4'-P energy: -3.002 bonds (distance) P-C4' energy: -4.702 flat angles C4'-P-C4' energy: -5.417 flat angles P-C4'-P energy: -3.103 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: 10, replica: 3 ===================================== Write number: 95 Temperature: 1.350000 Total energy: -22.217171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.217171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.217171 (E_RNA) where: Base-Base interactions energy: -10.771 where: short stacking energy: -10.771 Base-Backbone interact. energy: -0.000 local terms energy: -11.445991 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -2.565 flat angles C4'-P-C4' energy: -1.688 flat angles P-C4'-P energy: -1.822 tors. eta vs tors. theta energy: -0.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 96 Temperature: 0.900000 Total energy: -32.477611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.477611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.477611 (E_RNA) where: Base-Base interactions energy: -11.851 where: short stacking energy: -11.851 Base-Backbone interact. energy: -0.012 local terms energy: -20.615234 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -5.362 flat angles P-C4'-P energy: -4.061 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: 2, replica: 8 ===================================== Write number: 96 Temperature: 0.950000 Total energy: -34.791374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.791374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.791374 (E_RNA) where: Base-Base interactions energy: -13.186 where: short stacking energy: -13.186 Base-Backbone interact. energy: -0.007 local terms energy: -21.598375 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -4.842 flat angles P-C4'-P energy: -4.476 tors. eta vs tors. theta energy: -1.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 96 Temperature: 1.000000 Total energy: -31.390198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.390198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.390198 (E_RNA) where: Base-Base interactions energy: -12.532 where: short stacking energy: -12.532 Base-Backbone interact. energy: -0.006 local terms energy: -18.851503 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.227 flat angles C4'-P-C4' energy: -4.287 flat angles P-C4'-P energy: -4.093 tors. eta vs tors. theta energy: -0.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 96 Temperature: 1.050000 Total energy: -36.044282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.044282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.044282 (E_RNA) where: Base-Base interactions energy: -12.638 where: short stacking energy: -12.638 Base-Backbone interact. energy: -0.001 local terms energy: -23.405534 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -4.908 flat angles P-C4'-P energy: -4.686 tors. eta vs tors. theta energy: -3.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 96 Temperature: 1.100000 Total energy: -26.431868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.431868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.431868 (E_RNA) where: Base-Base interactions energy: -12.482 where: short stacking energy: -8.895 Base-Backbone interact. energy: -0.048 local terms energy: -13.901781 where: bonds (distance) C4'-P energy: -4.173 bonds (distance) P-C4' energy: -4.526 flat angles C4'-P-C4' energy: -3.316 flat angles P-C4'-P energy: -3.505 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: 6, replica: 1 ===================================== Write number: 96 Temperature: 1.150000 Total energy: -36.077792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.077792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.077792 (E_RNA) where: Base-Base interactions energy: -16.418 where: short stacking energy: -16.418 Base-Backbone interact. energy: -0.008 local terms energy: -19.651710 where: bonds (distance) C4'-P energy: -2.691 bonds (distance) P-C4' energy: -4.832 flat angles C4'-P-C4' energy: -5.022 flat angles P-C4'-P energy: -4.355 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: 2 ===================================== Write number: 96 Temperature: 1.200000 Total energy: -29.287490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.287490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.287490 (E_RNA) where: Base-Base interactions energy: -8.214 where: short stacking energy: -8.214 Base-Backbone interact. energy: -0.054 local terms energy: -21.019655 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.759 flat angles C4'-P-C4' energy: -3.944 flat angles P-C4'-P energy: -3.041 tors. eta vs tors. theta energy: -3.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 96 Temperature: 1.250000 Total energy: -25.064844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.064844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.064844 (E_RNA) where: Base-Base interactions energy: -8.710 where: short stacking energy: -8.710 Base-Backbone interact. energy: -0.110 local terms energy: -16.244710 where: bonds (distance) C4'-P energy: -3.659 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -3.487 flat angles P-C4'-P energy: -3.245 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: 9, replica: 3 ===================================== Write number: 96 Temperature: 1.300000 Total energy: -24.259594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.259594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.259594 (E_RNA) where: Base-Base interactions energy: -3.916 where: short stacking energy: -3.916 Base-Backbone interact. energy: -0.000 local terms energy: -20.342664 where: bonds (distance) C4'-P energy: -5.159 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -2.186 flat angles P-C4'-P energy: -2.994 tors. eta vs tors. theta energy: -3.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 96 Temperature: 1.350000 Total energy: -26.091991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.091991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.091991 (E_RNA) where: Base-Base interactions energy: -11.155 where: short stacking energy: -11.155 Base-Backbone interact. energy: -0.102 local terms energy: -14.835245 where: bonds (distance) C4'-P energy: -0.145 bonds (distance) P-C4' energy: -5.072 flat angles C4'-P-C4' energy: -3.084 flat angles P-C4'-P energy: -3.982 tors. eta vs tors. theta energy: -2.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 97 Temperature: 0.900000 Total energy: -32.011334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.011334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.011334 (E_RNA) where: Base-Base interactions energy: -11.079 where: short stacking energy: -11.079 Base-Backbone interact. energy: -0.002 local terms energy: -20.930763 where: bonds (distance) C4'-P energy: -5.027 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.373 flat angles P-C4'-P energy: -2.013 tors. eta vs tors. theta energy: -3.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 97 Temperature: 0.950000 Total energy: -31.056165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.056165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.056165 (E_RNA) where: Base-Base interactions energy: -10.180 where: short stacking energy: -10.180 Base-Backbone interact. energy: -0.000 local terms energy: -20.875276 where: bonds (distance) C4'-P energy: -4.654 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -5.152 flat angles P-C4'-P energy: -3.909 tors. eta vs tors. theta energy: -1.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 97 Temperature: 1.000000 Total energy: -30.547677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.547677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.547677 (E_RNA) where: Base-Base interactions energy: -12.038 where: short stacking energy: -12.038 Base-Backbone interact. energy: -0.218 local terms energy: -18.292320 where: bonds (distance) C4'-P energy: -3.868 bonds (distance) P-C4' energy: -4.195 flat angles C4'-P-C4' energy: -4.227 flat angles P-C4'-P energy: -4.608 tors. eta vs tors. theta energy: -1.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 97 Temperature: 1.050000 Total energy: -28.156542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.156542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.156542 (E_RNA) where: Base-Base interactions energy: -7.071 where: short stacking energy: -7.071 Base-Backbone interact. energy: -0.134 local terms energy: -20.950729 where: bonds (distance) C4'-P energy: -4.869 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -4.462 flat angles P-C4'-P energy: -4.196 tors. eta vs tors. theta energy: -1.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 97 Temperature: 1.100000 Total energy: -28.770036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.770036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.770036 (E_RNA) where: Base-Base interactions energy: -9.218 where: short stacking energy: -9.218 Base-Backbone interact. energy: -0.011 local terms energy: -19.541623 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.286 flat angles C4'-P-C4' energy: -5.151 flat angles P-C4'-P energy: -2.797 tors. eta vs tors. theta energy: -1.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 97 Temperature: 1.150000 Total energy: -24.679860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.679860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.679860 (E_RNA) where: Base-Base interactions energy: -6.701 where: short stacking energy: -6.701 Base-Backbone interact. energy: -0.001 local terms energy: -17.978256 where: bonds (distance) C4'-P energy: -3.392 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -3.577 flat angles P-C4'-P energy: -3.405 tors. eta vs tors. theta energy: -2.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 97 Temperature: 1.200000 Total energy: -29.793783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.793783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.793783 (E_RNA) where: Base-Base interactions energy: -8.235 where: short stacking energy: -8.235 Base-Backbone interact. energy: -0.000 local terms energy: -21.559125 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.512 flat angles P-C4'-P energy: -4.074 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: 8, replica: 3 ===================================== Write number: 97 Temperature: 1.250000 Total energy: -26.564689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.564689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.564689 (E_RNA) where: Base-Base interactions energy: -6.233 where: short stacking energy: -6.233 Base-Backbone interact. energy: -0.000 local terms energy: -20.331818 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.789 flat angles P-C4'-P energy: -3.156 tors. eta vs tors. theta energy: -1.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 97 Temperature: 1.300000 Total energy: -25.094403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.094403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.094403 (E_RNA) where: Base-Base interactions energy: -3.407 where: short stacking energy: -3.407 Base-Backbone interact. energy: -0.077 local terms energy: -21.610735 where: bonds (distance) C4'-P energy: -5.275 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.066 flat angles P-C4'-P energy: -4.165 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: 10, replica: 10 ===================================== Write number: 97 Temperature: 1.350000 Total energy: -27.826393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.826393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.826393 (E_RNA) where: Base-Base interactions energy: -9.006 where: short stacking energy: -9.006 Base-Backbone interact. energy: -0.002 local terms energy: -18.818551 where: bonds (distance) C4'-P energy: -3.760 bonds (distance) P-C4' energy: -5.491 flat angles C4'-P-C4' energy: -3.007 flat angles P-C4'-P energy: -3.899 tors. eta vs tors. theta energy: -2.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 98 Temperature: 0.900000 Total energy: -38.287646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.287646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.287646 (E_RNA) where: Base-Base interactions energy: -16.473 where: short stacking energy: -16.473 Base-Backbone interact. energy: -0.000 local terms energy: -21.814838 where: bonds (distance) C4'-P energy: -3.888 bonds (distance) P-C4' energy: -5.787 flat angles C4'-P-C4' energy: -5.195 flat angles P-C4'-P energy: -1.947 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: 2, replica: 6 ===================================== Write number: 98 Temperature: 0.950000 Total energy: -34.496094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.496094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.496094 (E_RNA) where: Base-Base interactions energy: -13.528 where: short stacking energy: -13.528 Base-Backbone interact. energy: -0.094 local terms energy: -20.874024 where: bonds (distance) C4'-P energy: -5.010 bonds (distance) P-C4' energy: -5.522 flat angles C4'-P-C4' energy: -4.109 flat angles P-C4'-P energy: -3.586 tors. eta vs tors. theta energy: -2.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 98 Temperature: 1.000000 Total energy: -32.778422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.778422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.778422 (E_RNA) where: Base-Base interactions energy: -10.339 where: short stacking energy: -10.339 Base-Backbone interact. energy: -0.091 local terms energy: -22.348893 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.735 flat angles P-C4'-P energy: -4.217 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: 4, replica: 8 ===================================== Write number: 98 Temperature: 1.050000 Total energy: -32.943586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.943586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.943586 (E_RNA) where: Base-Base interactions energy: -10.862 where: short stacking energy: -10.862 Base-Backbone interact. energy: -0.000 local terms energy: -22.081456 where: bonds (distance) C4'-P energy: -4.493 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.553 flat angles P-C4'-P energy: -2.378 tors. eta vs tors. theta energy: -3.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 98 Temperature: 1.100000 Total energy: -29.586242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.586242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.586242 (E_RNA) where: Base-Base interactions energy: -10.762 where: short stacking energy: -11.559 Base-Backbone interact. energy: -0.001 local terms energy: -18.823738 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -4.973 flat angles C4'-P-C4' energy: -4.459 flat angles P-C4'-P energy: -0.244 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: 6, replica: 9 ===================================== Write number: 98 Temperature: 1.150000 Total energy: -23.091822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.091822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.091822 (E_RNA) where: Base-Base interactions energy: -4.034 where: short stacking energy: -4.034 Base-Backbone interact. energy: -0.000 local terms energy: -19.057772 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -2.265 flat angles P-C4'-P energy: -3.404 tors. eta vs tors. theta energy: -1.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 98 Temperature: 1.200000 Total energy: -27.218010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.218010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.218010 (E_RNA) where: Base-Base interactions energy: -8.370 where: short stacking energy: -8.370 Base-Backbone interact. energy: -0.000 local terms energy: -18.848073 where: bonds (distance) C4'-P energy: -3.512 bonds (distance) P-C4' energy: -5.286 flat angles C4'-P-C4' energy: -2.789 flat angles P-C4'-P energy: -3.823 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: 8, replica: 1 ===================================== Write number: 98 Temperature: 1.250000 Total energy: -28.866229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.866229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.866229 (E_RNA) where: Base-Base interactions energy: -9.202 where: short stacking energy: -9.202 Base-Backbone interact. energy: -0.053 local terms energy: -19.611338 where: bonds (distance) C4'-P energy: -4.663 bonds (distance) P-C4' energy: -5.724 flat angles C4'-P-C4' energy: -4.991 flat angles P-C4'-P energy: -2.592 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: 10 ===================================== Write number: 98 Temperature: 1.300000 Total energy: -30.595567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.595567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.595567 (E_RNA) where: Base-Base interactions energy: -11.245 where: short stacking energy: -11.245 Base-Backbone interact. energy: -0.014 local terms energy: -19.335754 where: bonds (distance) C4'-P energy: -4.423 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -3.623 flat angles P-C4'-P energy: -3.306 tors. eta vs tors. theta energy: -2.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 98 Temperature: 1.350000 Total energy: -26.900847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.900847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.900847 (E_RNA) where: Base-Base interactions energy: -6.429 where: short stacking energy: -6.429 Base-Backbone interact. energy: -0.035 local terms energy: -20.436777 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.153 flat angles P-C4'-P energy: -3.168 tors. eta vs tors. theta energy: -2.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 99 Temperature: 0.900000 Total energy: -36.900011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.900011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.900011 (E_RNA) where: Base-Base interactions energy: -16.421 where: short stacking energy: -16.421 Base-Backbone interact. energy: -0.000 local terms energy: -20.478703 where: bonds (distance) C4'-P energy: -4.571 bonds (distance) P-C4' energy: -4.709 flat angles C4'-P-C4' energy: -4.052 flat angles P-C4'-P energy: -2.984 tors. eta vs tors. theta energy: -4.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 99 Temperature: 0.950000 Total energy: -34.696438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.696438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.696438 (E_RNA) where: Base-Base interactions energy: -11.704 where: short stacking energy: -11.704 Base-Backbone interact. energy: -0.000 local terms energy: -22.992077 where: bonds (distance) C4'-P energy: -4.600 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.376 flat angles P-C4'-P energy: -2.477 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: 3, replica: 6 ===================================== Write number: 99 Temperature: 1.000000 Total energy: -27.042946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.042946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.042946 (E_RNA) where: Base-Base interactions energy: -6.085 where: short stacking energy: -6.085 Base-Backbone interact. energy: -0.001 local terms energy: -20.957018 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.077 flat angles P-C4'-P energy: -4.645 tors. eta vs tors. theta energy: -0.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 99 Temperature: 1.050000 Total energy: -32.611890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.611890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.611890 (E_RNA) where: Base-Base interactions energy: -10.328 where: short stacking energy: -10.328 Base-Backbone interact. energy: -0.000 local terms energy: -22.283575 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -4.933 flat angles P-C4'-P energy: -3.392 tors. eta vs tors. theta energy: -3.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 99 Temperature: 1.100000 Total energy: -31.201924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.201924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.201924 (E_RNA) where: Base-Base interactions energy: -10.702 where: short stacking energy: -10.702 Base-Backbone interact. energy: -0.000 local terms energy: -20.500344 where: bonds (distance) C4'-P energy: -5.159 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -3.141 flat angles P-C4'-P energy: -4.067 tors. eta vs tors. theta energy: -2.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 99 Temperature: 1.150000 Total energy: -34.265741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.265741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.265741 (E_RNA) where: Base-Base interactions energy: -14.116 where: short stacking energy: -14.116 Base-Backbone interact. energy: -0.000 local terms energy: -20.149101 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -3.349 flat angles P-C4'-P energy: -3.509 tors. eta vs tors. theta energy: -2.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 99 Temperature: 1.200000 Total energy: -28.831540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.831540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.831540 (E_RNA) where: Base-Base interactions energy: -10.820 where: short stacking energy: -10.954 Base-Backbone interact. energy: -0.000 local terms energy: -18.011267 where: bonds (distance) C4'-P energy: -2.833 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -5.075 flat angles P-C4'-P energy: -2.678 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: 8, replica: 10 ===================================== Write number: 99 Temperature: 1.250000 Total energy: -33.124257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.124257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.124257 (E_RNA) where: Base-Base interactions energy: -11.728 where: short stacking energy: -11.728 Base-Backbone interact. energy: -0.000 local terms energy: -21.396642 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.101 flat angles P-C4'-P energy: -4.095 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: 99 Temperature: 1.300000 Total energy: -24.165974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.165974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.165974 (E_RNA) where: Base-Base interactions energy: -6.836 where: short stacking energy: -6.836 Base-Backbone interact. energy: -0.000 local terms energy: -17.330004 where: bonds (distance) C4'-P energy: -4.803 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -4.818 flat angles P-C4'-P energy: -3.063 tors. eta vs tors. theta energy: 0.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 99 Temperature: 1.350000 Total energy: -26.449820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.449820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.449820 (E_RNA) where: Base-Base interactions energy: -9.648 where: short stacking energy: -9.648 Base-Backbone interact. energy: -0.004 local terms energy: -16.797246 where: bonds (distance) C4'-P energy: -2.915 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -2.573 flat angles P-C4'-P energy: -4.408 tors. eta vs tors. theta energy: -0.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 100 Temperature: 0.900000 Total energy: -37.420605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.420605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.420605 (E_RNA) where: Base-Base interactions energy: -15.220 where: short stacking energy: -15.220 Base-Backbone interact. energy: -0.000 local terms energy: -22.200195 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.152 flat angles P-C4'-P energy: -3.538 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: 2, replica: 7 ===================================== Write number: 100 Temperature: 0.950000 Total energy: -33.306216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.306216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.306216 (E_RNA) where: Base-Base interactions energy: -10.941 where: short stacking energy: -10.941 Base-Backbone interact. energy: -0.000 local terms energy: -22.364943 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -4.740 flat angles C4'-P-C4' energy: -4.531 flat angles P-C4'-P energy: -3.058 tors. eta vs tors. theta energy: -4.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 100 Temperature: 1.000000 Total energy: -34.071667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.071667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.071667 (E_RNA) where: Base-Base interactions energy: -11.258 where: short stacking energy: -11.258 Base-Backbone interact. energy: -0.000 local terms energy: -22.813275 where: bonds (distance) C4'-P energy: -3.834 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.848 flat angles P-C4'-P energy: -3.209 tors. eta vs tors. theta energy: -4.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 100 Temperature: 1.050000 Total energy: -34.695761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.695761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.695761 (E_RNA) where: Base-Base interactions energy: -13.454 where: short stacking energy: -13.454 Base-Backbone interact. energy: -0.051 local terms energy: -21.190350 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -4.942 flat angles C4'-P-C4' energy: -3.091 flat angles P-C4'-P energy: -4.292 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: 5, replica: 8 ===================================== Write number: 100 Temperature: 1.100000 Total energy: -34.296153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.296153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.296153 (E_RNA) where: Base-Base interactions energy: -11.822 where: short stacking energy: -11.822 Base-Backbone interact. energy: -0.034 local terms energy: -22.440160 where: bonds (distance) C4'-P energy: -5.159 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.967 flat angles P-C4'-P energy: -3.610 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: 6, replica: 3 ===================================== Write number: 100 Temperature: 1.150000 Total energy: -25.474111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.474111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.474111 (E_RNA) where: Base-Base interactions energy: -7.556 where: short stacking energy: -7.556 Base-Backbone interact. energy: -0.038 local terms energy: -17.880551 where: bonds (distance) C4'-P energy: -4.716 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -3.937 flat angles P-C4'-P energy: -2.057 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: 10 ===================================== Write number: 100 Temperature: 1.200000 Total energy: -28.433313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.433313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.433313 (E_RNA) where: Base-Base interactions energy: -11.335 where: short stacking energy: -11.335 Base-Backbone interact. energy: -0.002 local terms energy: -17.096542 where: bonds (distance) C4'-P energy: -2.949 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -2.892 flat angles P-C4'-P energy: -2.186 tors. eta vs tors. theta energy: -3.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 100 Temperature: 1.250000 Total energy: -26.913128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.913128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.913128 (E_RNA) where: Base-Base interactions energy: -6.108 where: short stacking energy: -6.108 Base-Backbone interact. energy: -0.000 local terms energy: -20.804478 where: bonds (distance) C4'-P energy: -4.421 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.195 flat angles P-C4'-P energy: -3.758 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: 9, replica: 5 ===================================== Write number: 100 Temperature: 1.300000 Total energy: -25.676408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.676408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.676408 (E_RNA) where: Base-Base interactions energy: -7.125 where: short stacking energy: -7.125 Base-Backbone interact. energy: -0.099 local terms energy: -18.451893 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -3.295 flat angles P-C4'-P energy: -3.658 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: 1 ===================================== Write number: 100 Temperature: 1.350000 Total energy: -26.105130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.105130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.105130 (E_RNA) where: Base-Base interactions energy: -8.958 where: short stacking energy: -8.958 Base-Backbone interact. energy: -0.054 local terms energy: -17.093139 where: bonds (distance) C4'-P energy: -1.582 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -5.576 flat angles P-C4'-P energy: -3.008 tors. eta vs tors. theta energy: -1.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 101 Temperature: 0.900000 Total energy: -39.992672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.992672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.992672 (E_RNA) where: Base-Base interactions energy: -15.682 where: short stacking energy: -15.682 Base-Backbone interact. energy: -0.000 local terms energy: -24.310547 where: bonds (distance) C4'-P energy: -4.803 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.353 flat angles P-C4'-P energy: -3.628 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: 2, replica: 2 ===================================== Write number: 101 Temperature: 0.950000 Total energy: -27.766572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.766572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.766572 (E_RNA) where: Base-Base interactions energy: -7.816 where: short stacking energy: -7.816 Base-Backbone interact. energy: -0.000 local terms energy: -19.949867 where: bonds (distance) C4'-P energy: -4.513 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -4.993 flat angles P-C4'-P energy: -3.338 tors. eta vs tors. theta energy: -1.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 101 Temperature: 1.000000 Total energy: -34.144932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.144932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.144932 (E_RNA) where: Base-Base interactions energy: -12.120 where: short stacking energy: -12.120 Base-Backbone interact. energy: -0.000 local terms energy: -22.025118 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -5.734 flat angles C4'-P-C4' energy: -4.636 flat angles P-C4'-P energy: -3.422 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: 8 ===================================== Write number: 101 Temperature: 1.050000 Total energy: -31.170288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.170288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.170288 (E_RNA) where: Base-Base interactions energy: -10.136 where: short stacking energy: -10.136 Base-Backbone interact. energy: -0.000 local terms energy: -21.034716 where: bonds (distance) C4'-P energy: -3.731 bonds (distance) P-C4' energy: -5.305 flat angles C4'-P-C4' energy: -5.133 flat angles P-C4'-P energy: -4.060 tors. eta vs tors. theta energy: -2.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 101 Temperature: 1.100000 Total energy: -31.072333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.072333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.072333 (E_RNA) where: Base-Base interactions energy: -9.618 where: short stacking energy: -9.618 Base-Backbone interact. energy: -0.000 local terms energy: -21.454340 where: bonds (distance) C4'-P energy: -4.563 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -5.781 flat angles P-C4'-P energy: -2.891 tors. eta vs tors. theta energy: -2.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 101 Temperature: 1.150000 Total energy: -26.396518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.396518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.396518 (E_RNA) where: Base-Base interactions energy: -12.311 where: short stacking energy: -5.970 Base-Backbone interact. energy: -0.027 local terms energy: -14.058851 where: bonds (distance) C4'-P energy: -4.016 bonds (distance) P-C4' energy: -4.603 flat angles C4'-P-C4' energy: -3.909 flat angles P-C4'-P energy: -2.117 tors. eta vs tors. theta energy: 0.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 101 Temperature: 1.200000 Total energy: -31.190773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.190773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.190773 (E_RNA) where: Base-Base interactions energy: -11.503 where: short stacking energy: -11.503 Base-Backbone interact. energy: -0.003 local terms energy: -19.685394 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.197 flat angles P-C4'-P energy: -2.995 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: 8, replica: 5 ===================================== Write number: 101 Temperature: 1.250000 Total energy: -26.975754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.975754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.975754 (E_RNA) where: Base-Base interactions energy: -9.481 where: short stacking energy: -9.481 Base-Backbone interact. energy: -0.050 local terms energy: -17.445340 where: bonds (distance) C4'-P energy: -4.778 bonds (distance) P-C4' energy: -3.166 flat angles C4'-P-C4' energy: -3.937 flat angles P-C4'-P energy: -3.910 tors. eta vs tors. theta energy: -1.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 101 Temperature: 1.300000 Total energy: -26.671701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.671701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.671701 (E_RNA) where: Base-Base interactions energy: -7.405 where: short stacking energy: -7.405 Base-Backbone interact. energy: -0.000 local terms energy: -19.266257 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -4.423 flat angles C4'-P-C4' energy: -4.793 flat angles P-C4'-P energy: -0.200 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: 10, replica: 1 ===================================== Write number: 101 Temperature: 1.350000 Total energy: -23.884294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.884294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.884294 (E_RNA) where: Base-Base interactions energy: -7.795 where: short stacking energy: -7.795 Base-Backbone interact. energy: -0.000 local terms energy: -16.088838 where: bonds (distance) C4'-P energy: -4.049 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -1.626 flat angles P-C4'-P energy: -3.623 tors. eta vs tors. theta energy: -0.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 102 Temperature: 0.900000 Total energy: -33.931099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.931099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.931099 (E_RNA) where: Base-Base interactions energy: -14.214 where: short stacking energy: -14.214 Base-Backbone interact. energy: -0.005 local terms energy: -19.712198 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -4.751 flat angles P-C4'-P energy: -2.882 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: 2, replica: 4 ===================================== Write number: 102 Temperature: 0.950000 Total energy: -33.880692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.880692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.880692 (E_RNA) where: Base-Base interactions energy: -15.566 where: short stacking energy: -15.566 Base-Backbone interact. energy: -0.000 local terms energy: -18.314282 where: bonds (distance) C4'-P energy: -4.307 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -3.847 flat angles P-C4'-P energy: -2.718 tors. eta vs tors. theta energy: -2.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 102 Temperature: 1.000000 Total energy: -33.947835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.947835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.947835 (E_RNA) where: Base-Base interactions energy: -12.093 where: short stacking energy: -12.093 Base-Backbone interact. energy: -0.001 local terms energy: -21.854379 where: bonds (distance) C4'-P energy: -4.787 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -5.588 flat angles P-C4'-P energy: -2.060 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: 4, replica: 8 ===================================== Write number: 102 Temperature: 1.050000 Total energy: -33.103101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.103101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.103101 (E_RNA) where: Base-Base interactions energy: -12.426 where: short stacking energy: -12.426 Base-Backbone interact. energy: -0.003 local terms energy: -20.673379 where: bonds (distance) C4'-P energy: -4.663 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -5.588 flat angles P-C4'-P energy: -3.776 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: 5, replica: 10 ===================================== Write number: 102 Temperature: 1.100000 Total energy: -31.509448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.509448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.509448 (E_RNA) where: Base-Base interactions energy: -7.456 where: short stacking energy: -7.456 Base-Backbone interact. energy: -0.057 local terms energy: -23.996103 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -4.454 flat angles P-C4'-P energy: -3.999 tors. eta vs tors. theta energy: -3.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 102 Temperature: 1.150000 Total energy: -32.799909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.799909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.799909 (E_RNA) where: Base-Base interactions energy: -14.219 where: short stacking energy: -14.219 Base-Backbone interact. energy: -0.009 local terms energy: -18.571982 where: bonds (distance) C4'-P energy: -4.663 bonds (distance) P-C4' energy: -2.839 flat angles C4'-P-C4' energy: -4.717 flat angles P-C4'-P energy: -4.153 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: 7, replica: 5 ===================================== Write number: 102 Temperature: 1.200000 Total energy: -30.309851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.309851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.309851 (E_RNA) where: Base-Base interactions energy: -11.129 where: short stacking energy: -11.129 Base-Backbone interact. energy: -0.004 local terms energy: -19.176801 where: bonds (distance) C4'-P energy: -4.555 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -4.050 flat angles P-C4'-P energy: -4.286 tors. eta vs tors. theta energy: -0.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 102 Temperature: 1.250000 Total energy: -28.471140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.471140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.471140 (E_RNA) where: Base-Base interactions energy: -8.607 where: short stacking energy: -8.607 Base-Backbone interact. energy: -0.052 local terms energy: -19.812194 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -5.696 flat angles P-C4'-P energy: -3.197 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: 1 ===================================== Write number: 102 Temperature: 1.300000 Total energy: -27.196585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.196585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.196585 (E_RNA) where: Base-Base interactions energy: -7.069 where: short stacking energy: -7.069 Base-Backbone interact. energy: -0.037 local terms energy: -20.090116 where: bonds (distance) C4'-P energy: -4.405 bonds (distance) P-C4' energy: -4.872 flat angles C4'-P-C4' energy: -4.833 flat angles P-C4'-P energy: -3.807 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: 10, replica: 9 ===================================== Write number: 102 Temperature: 1.350000 Total energy: -23.438920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.438920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.438920 (E_RNA) where: Base-Base interactions energy: -5.944 where: short stacking energy: -5.944 Base-Backbone interact. energy: -0.016 local terms energy: -17.479087 where: bonds (distance) C4'-P energy: -4.786 bonds (distance) P-C4' energy: -4.642 flat angles C4'-P-C4' energy: -3.933 flat angles P-C4'-P energy: -3.296 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: 1, replica: 2 ===================================== Write number: 103 Temperature: 0.900000 Total energy: -28.874979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.874979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.874979 (E_RNA) where: Base-Base interactions energy: -6.572 where: short stacking energy: -7.072 Base-Backbone interact. energy: -0.025 local terms energy: -22.278308 where: bonds (distance) C4'-P energy: -5.010 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -4.776 flat angles P-C4'-P energy: -4.579 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: 2, replica: 7 ===================================== Write number: 103 Temperature: 0.950000 Total energy: -30.994999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.994999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.994999 (E_RNA) where: Base-Base interactions energy: -10.805 where: short stacking energy: -10.805 Base-Backbone interact. energy: -0.006 local terms energy: -20.184706 where: bonds (distance) C4'-P energy: -4.555 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -5.235 flat angles P-C4'-P energy: -3.000 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: 3, replica: 4 ===================================== Write number: 103 Temperature: 1.000000 Total energy: -32.778963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.778963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.778963 (E_RNA) where: Base-Base interactions energy: -13.130 where: short stacking energy: -13.130 Base-Backbone interact. energy: -0.014 local terms energy: -19.634786 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.261 flat angles P-C4'-P energy: -2.421 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: 4, replica: 10 ===================================== Write number: 103 Temperature: 1.050000 Total energy: -30.819726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.819726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.819726 (E_RNA) where: Base-Base interactions energy: -10.287 where: short stacking energy: -10.287 Base-Backbone interact. energy: -0.036 local terms energy: -20.496656 where: bonds (distance) C4'-P energy: -5.196 bonds (distance) P-C4' energy: -5.463 flat angles C4'-P-C4' energy: -3.461 flat angles P-C4'-P energy: -4.390 tors. eta vs tors. theta energy: -1.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 103 Temperature: 1.100000 Total energy: -27.506222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.506222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.506222 (E_RNA) where: Base-Base interactions energy: -11.927 where: short stacking energy: -11.927 Base-Backbone interact. energy: 0.307 local terms energy: -15.886305 where: bonds (distance) C4'-P energy: -3.760 bonds (distance) P-C4' energy: -4.001 flat angles C4'-P-C4' energy: -4.515 flat angles P-C4'-P energy: -2.773 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: 5 ===================================== Write number: 103 Temperature: 1.150000 Total energy: -28.535644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.535644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.535644 (E_RNA) where: Base-Base interactions energy: -9.932 where: short stacking energy: -9.932 Base-Backbone interact. energy: -0.000 local terms energy: -18.603681 where: bonds (distance) C4'-P energy: -2.849 bonds (distance) P-C4' energy: -5.001 flat angles C4'-P-C4' energy: -2.329 flat angles P-C4'-P energy: -4.053 tors. eta vs tors. theta energy: -4.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 103 Temperature: 1.200000 Total energy: -29.735201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.735201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.735201 (E_RNA) where: Base-Base interactions energy: -13.865 where: short stacking energy: -10.736 Base-Backbone interact. energy: -0.016 local terms energy: -15.854316 where: bonds (distance) C4'-P energy: -2.699 bonds (distance) P-C4' energy: -4.646 flat angles C4'-P-C4' energy: -3.205 flat angles P-C4'-P energy: -4.519 tors. eta vs tors. theta energy: -0.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 103 Temperature: 1.250000 Total energy: -30.070692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.070692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.070692 (E_RNA) where: Base-Base interactions energy: -9.967 where: short stacking energy: -9.967 Base-Backbone interact. energy: -0.002 local terms energy: -20.102097 where: bonds (distance) C4'-P energy: -4.725 bonds (distance) P-C4' energy: -4.935 flat angles C4'-P-C4' energy: -4.993 flat angles P-C4'-P energy: -3.455 tors. eta vs tors. theta energy: -1.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 103 Temperature: 1.300000 Total energy: -25.967918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.967918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.967918 (E_RNA) where: Base-Base interactions energy: -2.232 where: short stacking energy: -2.232 Base-Backbone interact. energy: -0.016 local terms energy: -23.720093 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.941 flat angles P-C4'-P energy: -4.304 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: 10, replica: 9 ===================================== Write number: 103 Temperature: 1.350000 Total energy: -25.127895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.127895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.127895 (E_RNA) where: Base-Base interactions energy: -6.926 where: short stacking energy: -6.926 Base-Backbone interact. energy: -0.009 local terms energy: -18.193321 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -4.072 flat angles C4'-P-C4' energy: -4.284 flat angles P-C4'-P energy: -4.748 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: 1, replica: 2 ===================================== Write number: 104 Temperature: 0.900000 Total energy: -35.396838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.396838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.396838 (E_RNA) where: Base-Base interactions energy: -12.070 where: short stacking energy: -12.070 Base-Backbone interact. energy: -0.094 local terms energy: -23.232836 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -4.160 flat angles C4'-P-C4' energy: -4.746 flat angles P-C4'-P energy: -4.457 tors. eta vs tors. theta energy: -4.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 104 Temperature: 0.950000 Total energy: -32.283024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.283024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.283024 (E_RNA) where: Base-Base interactions energy: -11.107 where: short stacking energy: -11.107 Base-Backbone interact. energy: -0.000 local terms energy: -21.176062 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -5.491 flat angles C4'-P-C4' energy: -5.172 flat angles P-C4'-P energy: -2.221 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: 3, replica: 10 ===================================== Write number: 104 Temperature: 1.000000 Total energy: -34.885199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.885199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.885199 (E_RNA) where: Base-Base interactions energy: -15.721 where: short stacking energy: -15.721 Base-Backbone interact. energy: -0.000 local terms energy: -19.164450 where: bonds (distance) C4'-P energy: -2.683 bonds (distance) P-C4' energy: -4.452 flat angles C4'-P-C4' energy: -3.890 flat angles P-C4'-P energy: -3.166 tors. eta vs tors. theta energy: -4.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 104 Temperature: 1.050000 Total energy: -32.809793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.809793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.809793 (E_RNA) where: Base-Base interactions energy: -11.694 where: short stacking energy: -11.694 Base-Backbone interact. energy: -0.000 local terms energy: -21.116128 where: bonds (distance) C4'-P energy: -5.498 bonds (distance) P-C4' energy: -5.333 flat angles C4'-P-C4' energy: -5.383 flat angles P-C4'-P energy: -2.450 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: 5 ===================================== Write number: 104 Temperature: 1.100000 Total energy: -31.534244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.534244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.534244 (E_RNA) where: Base-Base interactions energy: -13.093 where: short stacking energy: -13.093 Base-Backbone interact. energy: -0.000 local terms energy: -18.440889 where: bonds (distance) C4'-P energy: -2.613 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -5.047 flat angles P-C4'-P energy: -2.770 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: 6, replica: 8 ===================================== Write number: 104 Temperature: 1.150000 Total energy: -27.014467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.014467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.014467 (E_RNA) where: Base-Base interactions energy: -8.528 where: short stacking energy: -8.528 Base-Backbone interact. energy: -0.000 local terms energy: -18.486930 where: bonds (distance) C4'-P energy: -3.524 bonds (distance) P-C4' energy: -5.540 flat angles C4'-P-C4' energy: -5.452 flat angles P-C4'-P energy: -2.379 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: 1 ===================================== Write number: 104 Temperature: 1.200000 Total energy: -32.876644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.876644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.876644 (E_RNA) where: Base-Base interactions energy: -11.969 where: short stacking energy: -11.969 Base-Backbone interact. energy: -0.003 local terms energy: -20.904674 where: bonds (distance) C4'-P energy: -4.493 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -4.805 flat angles P-C4'-P energy: -3.361 tors. eta vs tors. theta energy: -2.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 104 Temperature: 1.250000 Total energy: -23.426534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.426534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.426534 (E_RNA) where: Base-Base interactions energy: -6.787 where: short stacking energy: -6.787 Base-Backbone interact. energy: -0.088 local terms energy: -16.551930 where: bonds (distance) C4'-P energy: -5.275 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -4.267 flat angles P-C4'-P energy: -2.125 tors. eta vs tors. theta energy: 0.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 104 Temperature: 1.300000 Total energy: -24.987943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.987943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.987943 (E_RNA) where: Base-Base interactions energy: -8.632 where: short stacking energy: -8.632 Base-Backbone interact. energy: -0.127 local terms energy: -16.229035 where: bonds (distance) C4'-P energy: -4.111 bonds (distance) P-C4' energy: -4.614 flat angles C4'-P-C4' energy: -4.820 flat angles P-C4'-P energy: -3.173 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: 3 ===================================== Write number: 104 Temperature: 1.350000 Total energy: -25.275328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.275328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.275328 (E_RNA) where: Base-Base interactions energy: -8.287 where: short stacking energy: -8.287 Base-Backbone interact. energy: -0.086 local terms energy: -16.902570 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.621 flat angles P-C4'-P energy: -2.148 tors. eta vs tors. theta energy: 0.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 105 Temperature: 0.900000 Total energy: -36.894152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.894152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.894152 (E_RNA) where: Base-Base interactions energy: -13.851 where: short stacking energy: -13.851 Base-Backbone interact. energy: -0.000 local terms energy: -23.042720 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -4.124 flat angles C4'-P-C4' energy: -5.481 flat angles P-C4'-P energy: -3.725 tors. eta vs tors. theta energy: -4.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 105 Temperature: 0.950000 Total energy: -31.337039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.337039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.337039 (E_RNA) where: Base-Base interactions energy: -11.040 where: short stacking energy: -11.040 Base-Backbone interact. energy: -0.078 local terms energy: -20.219236 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -4.618 flat angles C4'-P-C4' energy: -5.012 flat angles P-C4'-P energy: -3.003 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: 3, replica: 7 ===================================== Write number: 105 Temperature: 1.000000 Total energy: -32.131924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.131924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.131924 (E_RNA) where: Base-Base interactions energy: -13.087 where: short stacking energy: -13.087 Base-Backbone interact. energy: -0.034 local terms energy: -19.010970 where: bonds (distance) C4'-P energy: -4.111 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -5.593 flat angles P-C4'-P energy: -1.802 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: 4, replica: 5 ===================================== Write number: 105 Temperature: 1.050000 Total energy: -29.697672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.697672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.697672 (E_RNA) where: Base-Base interactions energy: -8.542 where: short stacking energy: -8.542 Base-Backbone interact. energy: -0.000 local terms energy: -21.155293 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -3.477 flat angles P-C4'-P energy: -2.572 tors. eta vs tors. theta energy: -3.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 105 Temperature: 1.100000 Total energy: -35.352735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.352735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.352735 (E_RNA) where: Base-Base interactions energy: -14.796 where: short stacking energy: -14.796 Base-Backbone interact. energy: -0.000 local terms energy: -20.556599 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -2.500 flat angles P-C4'-P energy: -3.702 tors. eta vs tors. theta energy: -4.007 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: 1 ===================================== Write number: 105 Temperature: 1.150000 Total energy: -26.375091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.375091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.375091 (E_RNA) where: Base-Base interactions energy: -7.793 where: short stacking energy: -7.793 Base-Backbone interact. energy: -0.005 local terms energy: -18.576625 where: bonds (distance) C4'-P energy: -4.555 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -4.027 flat angles P-C4'-P energy: -1.960 tors. eta vs tors. theta energy: -2.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 105 Temperature: 1.200000 Total energy: -25.445685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.445685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.445685 (E_RNA) where: Base-Base interactions energy: -6.854 where: short stacking energy: -6.854 Base-Backbone interact. energy: -0.005 local terms energy: -18.586782 where: bonds (distance) C4'-P energy: -4.744 bonds (distance) P-C4' energy: -5.759 flat angles C4'-P-C4' energy: -3.171 flat angles P-C4'-P energy: -3.290 tors. eta vs tors. theta energy: -1.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 105 Temperature: 1.250000 Total energy: -27.759861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.759861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.759861 (E_RNA) where: Base-Base interactions energy: -9.395 where: short stacking energy: -9.395 Base-Backbone interact. energy: -0.000 local terms energy: -18.364455 where: bonds (distance) C4'-P energy: -5.018 bonds (distance) P-C4' energy: -5.206 flat angles C4'-P-C4' energy: -4.902 flat angles P-C4'-P energy: -0.050 tors. eta vs tors. theta energy: -3.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 105 Temperature: 1.300000 Total energy: -25.808306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.808306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.808306 (E_RNA) where: Base-Base interactions energy: -8.156 where: short stacking energy: -8.156 Base-Backbone interact. energy: -0.000 local terms energy: -17.652110 where: bonds (distance) C4'-P energy: -4.219 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -5.228 flat angles P-C4'-P energy: -3.635 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: 10, replica: 3 ===================================== Write number: 105 Temperature: 1.350000 Total energy: -25.297461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.297461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.297461 (E_RNA) where: Base-Base interactions energy: -10.199 where: short stacking energy: -10.199 Base-Backbone interact. energy: -0.040 local terms energy: -15.059121 where: bonds (distance) C4'-P energy: -4.120 bonds (distance) P-C4' energy: -2.885 flat angles C4'-P-C4' energy: -2.829 flat angles P-C4'-P energy: -3.580 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: 1, replica: 10 ===================================== Write number: 106 Temperature: 0.900000 Total energy: -33.875966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.875966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.875966 (E_RNA) where: Base-Base interactions energy: -12.464 where: short stacking energy: -12.464 Base-Backbone interact. energy: -0.000 local terms energy: -21.411833 where: bonds (distance) C4'-P energy: -4.600 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -4.780 flat angles P-C4'-P energy: -4.223 tors. eta vs tors. theta energy: -2.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 106 Temperature: 0.950000 Total energy: -33.736771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.736771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.736771 (E_RNA) where: Base-Base interactions energy: -10.292 where: short stacking energy: -10.292 Base-Backbone interact. energy: -0.000 local terms energy: -23.445163 where: bonds (distance) C4'-P energy: -4.803 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.999 flat angles P-C4'-P energy: -4.664 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: 3, replica: 5 ===================================== Write number: 106 Temperature: 1.000000 Total energy: -31.634571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.634571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.634571 (E_RNA) where: Base-Base interactions energy: -11.414 where: short stacking energy: -11.414 Base-Backbone interact. energy: -0.000 local terms energy: -20.220147 where: bonds (distance) C4'-P energy: -3.839 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -4.458 flat angles P-C4'-P energy: -3.941 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: 4, replica: 7 ===================================== Write number: 106 Temperature: 1.050000 Total energy: -32.270603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.270603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.270603 (E_RNA) where: Base-Base interactions energy: -14.488 where: short stacking energy: -14.488 Base-Backbone interact. energy: -0.035 local terms energy: -17.746847 where: bonds (distance) C4'-P energy: -5.018 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -3.934 flat angles P-C4'-P energy: -1.320 tors. eta vs tors. theta energy: -1.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 106 Temperature: 1.100000 Total energy: -28.702072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.702072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.702072 (E_RNA) where: Base-Base interactions energy: -8.427 where: short stacking energy: -8.427 Base-Backbone interact. energy: -0.084 local terms energy: -20.191413 where: bonds (distance) C4'-P energy: -3.118 bonds (distance) P-C4' energy: -5.995 flat angles C4'-P-C4' energy: -5.363 flat angles P-C4'-P energy: -2.469 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: 4 ===================================== Write number: 106 Temperature: 1.150000 Total energy: -31.413641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.413641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.413641 (E_RNA) where: Base-Base interactions energy: -11.496 where: short stacking energy: -11.496 Base-Backbone interact. energy: -0.000 local terms energy: -19.917416 where: bonds (distance) C4'-P energy: -4.377 bonds (distance) P-C4' energy: -4.081 flat angles C4'-P-C4' energy: -5.238 flat angles P-C4'-P energy: -2.843 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: 7, replica: 9 ===================================== Write number: 106 Temperature: 1.200000 Total energy: -30.795184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.795184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.795184 (E_RNA) where: Base-Base interactions energy: -8.620 where: short stacking energy: -8.620 Base-Backbone interact. energy: -0.040 local terms energy: -22.135253 where: bonds (distance) C4'-P energy: -4.663 bonds (distance) P-C4' energy: -4.684 flat angles C4'-P-C4' energy: -5.569 flat angles P-C4'-P energy: -4.556 tors. eta vs tors. theta energy: -2.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 106 Temperature: 1.250000 Total energy: -28.456141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.456141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.456141 (E_RNA) where: Base-Base interactions energy: -7.641 where: short stacking energy: -7.641 Base-Backbone interact. energy: -0.000 local terms energy: -20.815469 where: bonds (distance) C4'-P energy: -5.606 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -2.301 flat angles P-C4'-P energy: -3.572 tors. eta vs tors. theta energy: -3.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 106 Temperature: 1.300000 Total energy: -30.004344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.004344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.004344 (E_RNA) where: Base-Base interactions energy: -9.666 where: short stacking energy: -9.666 Base-Backbone interact. energy: -0.021 local terms energy: -20.316894 where: bonds (distance) C4'-P energy: -3.668 bonds (distance) P-C4' energy: -4.780 flat angles C4'-P-C4' energy: -5.440 flat angles P-C4'-P energy: -3.675 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: 10, replica: 6 ===================================== Write number: 106 Temperature: 1.350000 Total energy: -26.047507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.047507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.047507 (E_RNA) where: Base-Base interactions energy: -9.175 where: short stacking energy: -9.175 Base-Backbone interact. energy: -0.003 local terms energy: -16.869639 where: bonds (distance) C4'-P energy: 0.732 bonds (distance) P-C4' energy: -5.261 flat angles C4'-P-C4' energy: -4.842 flat angles P-C4'-P energy: -4.553 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: 107 Temperature: 0.900000 Total energy: -31.017776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.017776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.017776 (E_RNA) where: Base-Base interactions energy: -13.566 where: short stacking energy: -13.566 Base-Backbone interact. energy: -0.003 local terms energy: -17.448774 where: bonds (distance) C4'-P energy: -1.644 bonds (distance) P-C4' energy: -3.645 flat angles C4'-P-C4' energy: -5.451 flat angles P-C4'-P energy: -4.400 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: 2, replica: 5 ===================================== Write number: 107 Temperature: 0.950000 Total energy: -31.256601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.256601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.256601 (E_RNA) where: Base-Base interactions energy: -10.927 where: short stacking energy: -10.927 Base-Backbone interact. energy: -0.000 local terms energy: -20.328758 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -4.519 flat angles C4'-P-C4' energy: -5.006 flat angles P-C4'-P energy: -4.017 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: 3, replica: 2 ===================================== Write number: 107 Temperature: 1.000000 Total energy: -31.676012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.676012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.676012 (E_RNA) where: Base-Base interactions energy: -11.133 where: short stacking energy: -11.568 Base-Backbone interact. energy: -0.002 local terms energy: -20.540902 where: bonds (distance) C4'-P energy: -4.219 bonds (distance) P-C4' energy: -3.677 flat angles C4'-P-C4' energy: -4.798 flat angles P-C4'-P energy: -4.312 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: 4, replica: 7 ===================================== Write number: 107 Temperature: 1.050000 Total energy: -27.102941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.102941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.102941 (E_RNA) where: Base-Base interactions energy: -8.390 where: short stacking energy: -8.390 Base-Backbone interact. energy: -0.001 local terms energy: -18.712027 where: bonds (distance) C4'-P energy: -4.111 bonds (distance) P-C4' energy: -5.227 flat angles C4'-P-C4' energy: -4.888 flat angles P-C4'-P energy: -3.225 tors. eta vs tors. theta energy: -1.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 107 Temperature: 1.100000 Total energy: -29.409865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.409865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.409865 (E_RNA) where: Base-Base interactions energy: -8.055 where: short stacking energy: -8.055 Base-Backbone interact. energy: -0.581 local terms energy: -20.774215 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -4.709 flat angles C4'-P-C4' energy: -4.568 flat angles P-C4'-P energy: -4.304 tors. eta vs tors. theta energy: -1.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 107 Temperature: 1.150000 Total energy: -31.495640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.495640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.495640 (E_RNA) where: Base-Base interactions energy: -10.516 where: short stacking energy: -10.516 Base-Backbone interact. energy: -0.000 local terms energy: -20.979658 where: bonds (distance) C4'-P energy: -4.501 bonds (distance) P-C4' energy: -4.448 flat angles C4'-P-C4' energy: -5.716 flat angles P-C4'-P energy: -3.599 tors. eta vs tors. theta energy: -2.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 107 Temperature: 1.200000 Total energy: -28.399349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.399349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.399349 (E_RNA) where: Base-Base interactions energy: -11.574 where: short stacking energy: -11.574 Base-Backbone interact. energy: -0.080 local terms energy: -16.745265 where: bonds (distance) C4'-P energy: -2.390 bonds (distance) P-C4' energy: -4.381 flat angles C4'-P-C4' energy: -3.901 flat angles P-C4'-P energy: -3.764 tors. eta vs tors. theta energy: -2.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 107 Temperature: 1.250000 Total energy: -27.668521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.668521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.668521 (E_RNA) where: Base-Base interactions energy: -7.650 where: short stacking energy: -7.650 Base-Backbone interact. energy: -0.000 local terms energy: -20.018291 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -2.335 flat angles P-C4'-P energy: -2.991 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: 9, replica: 8 ===================================== Write number: 107 Temperature: 1.300000 Total energy: -23.948409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.948409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.948409 (E_RNA) where: Base-Base interactions energy: -7.671 where: short stacking energy: -7.671 Base-Backbone interact. energy: -0.034 local terms energy: -16.243468 where: bonds (distance) C4'-P energy: -3.752 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.262 flat angles P-C4'-P energy: -2.133 tors. eta vs tors. theta energy: 0.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 107 Temperature: 1.350000 Total energy: -25.929000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.929000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.929000 (E_RNA) where: Base-Base interactions energy: -8.151 where: short stacking energy: -8.151 Base-Backbone interact. energy: -0.000 local terms energy: -17.778196 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -4.118 flat angles P-C4'-P energy: -3.661 tors. eta vs tors. theta energy: 0.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 108 Temperature: 0.900000 Total energy: -34.327906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.327906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.327906 (E_RNA) where: Base-Base interactions energy: -11.851 where: short stacking energy: -11.851 Base-Backbone interact. energy: -0.000 local terms energy: -22.476579 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -4.045 flat angles P-C4'-P energy: -3.424 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: 2, replica: 10 ===================================== Write number: 108 Temperature: 0.950000 Total energy: -31.717858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.717858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.717858 (E_RNA) where: Base-Base interactions energy: -11.662 where: short stacking energy: -11.662 Base-Backbone interact. energy: -0.000 local terms energy: -20.055345 where: bonds (distance) C4'-P energy: -4.421 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.075 flat angles P-C4'-P energy: -3.941 tors. eta vs tors. theta energy: -0.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 108 Temperature: 1.000000 Total energy: -33.991246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.991246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.991246 (E_RNA) where: Base-Base interactions energy: -12.610 where: short stacking energy: -12.610 Base-Backbone interact. energy: -0.072 local terms energy: -21.309362 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -3.011 flat angles P-C4'-P energy: -3.082 tors. eta vs tors. theta energy: -4.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 108 Temperature: 1.050000 Total energy: -28.110083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.110083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.110083 (E_RNA) where: Base-Base interactions energy: -11.724 where: short stacking energy: -11.724 Base-Backbone interact. energy: -0.440 local terms energy: -15.945542 where: bonds (distance) C4'-P energy: -2.637 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -3.546 flat angles P-C4'-P energy: -0.971 tors. eta vs tors. theta energy: -3.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 108 Temperature: 1.100000 Total energy: -31.086765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.086765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.086765 (E_RNA) where: Base-Base interactions energy: -11.058 where: short stacking energy: -11.058 Base-Backbone interact. energy: -0.000 local terms energy: -20.028715 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -4.690 flat angles P-C4'-P energy: -2.290 tors. eta vs tors. theta energy: -2.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 108 Temperature: 1.150000 Total energy: -27.316001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.316001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.316001 (E_RNA) where: Base-Base interactions energy: -8.814 where: short stacking energy: -8.814 Base-Backbone interact. energy: -0.000 local terms energy: -18.502287 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.553 flat angles P-C4'-P energy: -2.411 tors. eta vs tors. theta energy: -0.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 108 Temperature: 1.200000 Total energy: -22.901104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.901104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.901104 (E_RNA) where: Base-Base interactions energy: -7.059 where: short stacking energy: -7.059 Base-Backbone interact. energy: -0.191 local terms energy: -15.651297 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -3.568 flat angles C4'-P-C4' energy: -3.312 flat angles P-C4'-P energy: -4.121 tors. eta vs tors. theta energy: 0.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 108 Temperature: 1.250000 Total energy: -30.620762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.620762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.620762 (E_RNA) where: Base-Base interactions energy: -10.564 where: short stacking energy: -10.564 Base-Backbone interact. energy: -0.008 local terms energy: -20.049336 where: bonds (distance) C4'-P energy: -3.863 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.290 flat angles P-C4'-P energy: -3.776 tors. eta vs tors. theta energy: -1.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 108 Temperature: 1.300000 Total energy: -23.903365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.903365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.903365 (E_RNA) where: Base-Base interactions energy: -8.446 where: short stacking energy: -8.446 Base-Backbone interact. energy: -0.066 local terms energy: -15.391887 where: bonds (distance) C4'-P energy: -3.080 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -2.928 flat angles P-C4'-P energy: -3.972 tors. eta vs tors. theta energy: 0.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 108 Temperature: 1.350000 Total energy: -29.344026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.344026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.344026 (E_RNA) where: Base-Base interactions energy: -10.197 where: short stacking energy: -10.197 Base-Backbone interact. energy: -0.001 local terms energy: -19.145838 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -1.681 flat angles P-C4'-P energy: -3.707 tors. eta vs tors. theta energy: -3.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 109 Temperature: 0.900000 Total energy: -36.293218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.293218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.293218 (E_RNA) where: Base-Base interactions energy: -14.693 where: short stacking energy: -14.693 Base-Backbone interact. energy: -0.000 local terms energy: -21.600539 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -5.206 flat angles C4'-P-C4' energy: -5.435 flat angles P-C4'-P energy: -3.322 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: 2, replica: 10 ===================================== Write number: 109 Temperature: 0.950000 Total energy: -31.319110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.319110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.319110 (E_RNA) where: Base-Base interactions energy: -10.340 where: short stacking energy: -10.340 Base-Backbone interact. energy: -0.098 local terms energy: -20.880226 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -4.942 flat angles C4'-P-C4' energy: -4.873 flat angles P-C4'-P energy: -3.615 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: 7 ===================================== Write number: 109 Temperature: 1.000000 Total energy: -34.056004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.056004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.056004 (E_RNA) where: Base-Base interactions energy: -14.576 where: short stacking energy: -14.576 Base-Backbone interact. energy: -0.000 local terms energy: -19.480113 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -4.026 flat angles C4'-P-C4' energy: -4.550 flat angles P-C4'-P energy: -2.907 tors. eta vs tors. theta energy: -2.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 109 Temperature: 1.050000 Total energy: -29.674277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.674277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.674277 (E_RNA) where: Base-Base interactions energy: -8.780 where: short stacking energy: -8.780 Base-Backbone interact. energy: -0.026 local terms energy: -20.868317 where: bonds (distance) C4'-P energy: -4.405 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -5.278 flat angles P-C4'-P energy: -3.934 tors. eta vs tors. theta energy: -1.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 109 Temperature: 1.100000 Total energy: -33.824385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.824385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.824385 (E_RNA) where: Base-Base interactions energy: -12.240 where: short stacking energy: -12.240 Base-Backbone interact. energy: -0.001 local terms energy: -21.583760 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -3.962 flat angles P-C4'-P energy: -4.521 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: 1 ===================================== Write number: 109 Temperature: 1.150000 Total energy: -22.621853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.621853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.621853 (E_RNA) where: Base-Base interactions energy: -5.753 where: short stacking energy: -5.753 Base-Backbone interact. energy: -0.062 local terms energy: -16.807424 where: bonds (distance) C4'-P energy: -4.513 bonds (distance) P-C4' energy: -5.286 flat angles C4'-P-C4' energy: -3.196 flat angles P-C4'-P energy: -2.973 tors. eta vs tors. theta energy: -0.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 109 Temperature: 1.200000 Total energy: -26.324149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.324149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.324149 (E_RNA) where: Base-Base interactions energy: -7.729 where: short stacking energy: -7.729 Base-Backbone interact. energy: -1.572 local terms energy: -17.022474 where: bonds (distance) C4'-P energy: -4.397 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.295 flat angles P-C4'-P energy: -2.522 tors. eta vs tors. theta energy: 0.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 109 Temperature: 1.250000 Total energy: -24.973050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.973050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.973050 (E_RNA) where: Base-Base interactions energy: -7.890 where: short stacking energy: -7.890 Base-Backbone interact. energy: -0.002 local terms energy: -17.081470 where: bonds (distance) C4'-P energy: -3.093 bonds (distance) P-C4' energy: -4.381 flat angles C4'-P-C4' energy: -4.155 flat angles P-C4'-P energy: -2.557 tors. eta vs tors. theta energy: -2.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 109 Temperature: 1.300000 Total energy: -26.306129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.306129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.306129 (E_RNA) where: Base-Base interactions energy: -8.065 where: short stacking energy: -8.065 Base-Backbone interact. energy: 0.474 local terms energy: -18.715151 where: bonds (distance) C4'-P energy: -4.413 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -5.553 flat angles P-C4'-P energy: -3.294 tors. eta vs tors. theta energy: 0.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 109 Temperature: 1.350000 Total energy: -31.300046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.300046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.300046 (E_RNA) where: Base-Base interactions energy: -13.761 where: short stacking energy: -13.761 Base-Backbone interact. energy: -0.060 local terms energy: -17.479223 where: bonds (distance) C4'-P energy: -3.544 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.231 flat angles P-C4'-P energy: -0.997 tors. eta vs tors. theta energy: -1.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 110 Temperature: 0.900000 Total energy: -35.215685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.215685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.215685 (E_RNA) where: Base-Base interactions energy: -10.337 where: short stacking energy: -10.337 Base-Backbone interact. energy: -0.000 local terms energy: -24.878287 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.348 flat angles P-C4'-P energy: -4.288 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: 2, replica: 5 ===================================== Write number: 110 Temperature: 0.950000 Total energy: -32.552264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.552264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.552264 (E_RNA) where: Base-Base interactions energy: -13.409 where: short stacking energy: -13.409 Base-Backbone interact. energy: -0.000 local terms energy: -19.143564 where: bonds (distance) C4'-P energy: -4.653 bonds (distance) P-C4' energy: -4.678 flat angles C4'-P-C4' energy: -5.486 flat angles P-C4'-P energy: -3.866 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: 3, replica: 7 ===================================== Write number: 110 Temperature: 1.000000 Total energy: -27.712692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.712692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.712692 (E_RNA) where: Base-Base interactions energy: -6.395 where: short stacking energy: -6.395 Base-Backbone interact. energy: -0.000 local terms energy: -21.317913 where: bonds (distance) C4'-P energy: -4.786 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.024 flat angles P-C4'-P energy: -2.068 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: 4, replica: 9 ===================================== Write number: 110 Temperature: 1.050000 Total energy: -31.255736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.255736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.255736 (E_RNA) where: Base-Base interactions energy: -13.781 where: short stacking energy: -13.781 Base-Backbone interact. energy: -0.000 local terms energy: -17.474015 where: bonds (distance) C4'-P energy: -2.878 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -3.922 flat angles P-C4'-P energy: -3.409 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: 1 ===================================== Write number: 110 Temperature: 1.100000 Total energy: -28.892322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.892322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.892322 (E_RNA) where: Base-Base interactions energy: -11.537 where: short stacking energy: -11.537 Base-Backbone interact. energy: -0.009 local terms energy: -17.346235 where: bonds (distance) C4'-P energy: -2.381 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -5.261 flat angles P-C4'-P energy: -2.878 tors. eta vs tors. theta energy: -1.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 110 Temperature: 1.150000 Total energy: -28.353247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.353247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.353247 (E_RNA) where: Base-Base interactions energy: -10.997 where: short stacking energy: -10.997 Base-Backbone interact. energy: -0.003 local terms energy: -17.353820 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -2.817 flat angles C4'-P-C4' energy: -4.578 flat angles P-C4'-P energy: -3.843 tors. eta vs tors. theta energy: -0.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 110 Temperature: 1.200000 Total energy: -33.493022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.493022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.493022 (E_RNA) where: Base-Base interactions energy: -11.390 where: short stacking energy: -11.390 Base-Backbone interact. energy: -0.000 local terms energy: -22.103463 where: bonds (distance) C4'-P energy: -5.010 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.168 flat angles P-C4'-P energy: -3.614 tors. eta vs tors. theta energy: -3.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 110 Temperature: 1.250000 Total energy: -24.645389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.645389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.645389 (E_RNA) where: Base-Base interactions energy: -4.484 where: short stacking energy: -4.484 Base-Backbone interact. energy: -0.001 local terms energy: -20.160675 where: bonds (distance) C4'-P energy: -4.315 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -3.325 flat angles P-C4'-P energy: -4.401 tors. eta vs tors. theta energy: -2.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 110 Temperature: 1.300000 Total energy: -32.404355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.404355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.404355 (E_RNA) where: Base-Base interactions energy: -11.832 where: short stacking energy: -11.832 Base-Backbone interact. energy: -0.000 local terms energy: -20.572497 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -5.231 flat angles C4'-P-C4' energy: -4.320 flat angles P-C4'-P energy: -3.077 tors. eta vs tors. theta energy: -2.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 110 Temperature: 1.350000 Total energy: -24.303882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.303882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.303882 (E_RNA) where: Base-Base interactions energy: -9.250 where: short stacking energy: -9.250 Base-Backbone interact. energy: -0.000 local terms energy: -15.054133 where: bonds (distance) C4'-P energy: -2.406 bonds (distance) P-C4' energy: -4.446 flat angles C4'-P-C4' energy: -5.030 flat angles P-C4'-P energy: -1.662 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: 1, replica: 10 ===================================== Write number: 111 Temperature: 0.900000 Total energy: -34.964659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.964659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.964659 (E_RNA) where: Base-Base interactions energy: -12.446 where: short stacking energy: -12.446 Base-Backbone interact. energy: -0.099 local terms energy: -22.419348 where: bonds (distance) C4'-P energy: -5.010 bonds (distance) P-C4' energy: -4.860 flat angles C4'-P-C4' energy: -4.746 flat angles P-C4'-P energy: -3.230 tors. eta vs tors. theta energy: -4.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 111 Temperature: 0.950000 Total energy: -32.903237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.903237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.903237 (E_RNA) where: Base-Base interactions energy: -10.579 where: short stacking energy: -10.579 Base-Backbone interact. energy: -0.092 local terms energy: -22.232278 where: bonds (distance) C4'-P energy: -4.600 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.278 flat angles P-C4'-P energy: -3.861 tors. eta vs tors. theta energy: -2.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 111 Temperature: 1.000000 Total energy: -36.146655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.146655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.146655 (E_RNA) where: Base-Base interactions energy: -13.301 where: short stacking energy: -13.301 Base-Backbone interact. energy: -0.000 local terms energy: -22.845726 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -4.414 flat angles C4'-P-C4' energy: -3.118 flat angles P-C4'-P energy: -4.351 tors. eta vs tors. theta energy: -5.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 111 Temperature: 1.050000 Total energy: -29.429042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.429042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.429042 (E_RNA) where: Base-Base interactions energy: -9.274 where: short stacking energy: -9.274 Base-Backbone interact. energy: -0.040 local terms energy: -20.115739 where: bonds (distance) C4'-P energy: -5.275 bonds (distance) P-C4' energy: -4.976 flat angles C4'-P-C4' energy: -3.441 flat angles P-C4'-P energy: -3.492 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: 5, replica: 9 ===================================== Write number: 111 Temperature: 1.100000 Total energy: -30.543410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.543410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.543410 (E_RNA) where: Base-Base interactions energy: -11.765 where: short stacking energy: -11.765 Base-Backbone interact. energy: -0.002 local terms energy: -18.776460 where: bonds (distance) C4'-P energy: -4.307 bonds (distance) P-C4' energy: -4.811 flat angles C4'-P-C4' energy: -3.372 flat angles P-C4'-P energy: -3.471 tors. eta vs tors. theta energy: -2.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 111 Temperature: 1.150000 Total energy: -26.437158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.437158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.437158 (E_RNA) where: Base-Base interactions energy: -8.738 where: short stacking energy: -8.738 Base-Backbone interact. energy: -0.003 local terms energy: -17.696336 where: bonds (distance) C4'-P energy: -4.840 bonds (distance) P-C4' energy: -5.290 flat angles C4'-P-C4' energy: -5.456 flat angles P-C4'-P energy: -1.919 tors. eta vs tors. theta energy: -0.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 111 Temperature: 1.200000 Total energy: -26.955856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.955856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.955856 (E_RNA) where: Base-Base interactions energy: -7.285 where: short stacking energy: -7.285 Base-Backbone interact. energy: -0.002 local terms energy: -19.668708 where: bonds (distance) C4'-P energy: -5.010 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -4.287 flat angles P-C4'-P energy: -3.049 tors. eta vs tors. theta energy: -1.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 111 Temperature: 1.250000 Total energy: -27.056519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.056519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.056519 (E_RNA) where: Base-Base interactions energy: -7.533 where: short stacking energy: -7.533 Base-Backbone interact. energy: -0.003 local terms energy: -19.519731 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -3.402 flat angles C4'-P-C4' energy: -5.392 flat angles P-C4'-P energy: -4.535 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: 3 ===================================== Write number: 111 Temperature: 1.300000 Total energy: -22.768481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.768481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.768481 (E_RNA) where: Base-Base interactions energy: -5.639 where: short stacking energy: -5.639 Base-Backbone interact. energy: -0.135 local terms energy: -16.994358 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.072 flat angles C4'-P-C4' energy: -2.665 flat angles P-C4'-P energy: -3.136 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: 8 ===================================== Write number: 111 Temperature: 1.350000 Total energy: -27.492770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.492770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.492770 (E_RNA) where: Base-Base interactions energy: -6.585 where: short stacking energy: -6.585 Base-Backbone interact. energy: -0.041 local terms energy: -20.866487 where: bonds (distance) C4'-P energy: -5.018 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -5.081 flat angles P-C4'-P energy: -2.059 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: 1, replica: 7 ===================================== Write number: 112 Temperature: 0.900000 Total energy: -34.743781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.743781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.743781 (E_RNA) where: Base-Base interactions energy: -12.425 where: short stacking energy: -12.425 Base-Backbone interact. energy: -0.000 local terms energy: -22.318420 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.305 flat angles C4'-P-C4' energy: -3.944 flat angles P-C4'-P energy: -3.774 tors. eta vs tors. theta energy: -3.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 112 Temperature: 0.950000 Total energy: -32.498905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.498905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.498905 (E_RNA) where: Base-Base interactions energy: -9.373 where: short stacking energy: -9.373 Base-Backbone interact. energy: -0.016 local terms energy: -23.109353 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -5.607 flat angles P-C4'-P energy: -2.879 tors. eta vs tors. theta energy: -3.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 112 Temperature: 1.000000 Total energy: -30.761692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.761692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.761692 (E_RNA) where: Base-Base interactions energy: -11.501 where: short stacking energy: -11.501 Base-Backbone interact. energy: -0.000 local terms energy: -19.260363 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -5.463 flat angles C4'-P-C4' energy: -4.199 flat angles P-C4'-P energy: -3.466 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: 4, replica: 5 ===================================== Write number: 112 Temperature: 1.050000 Total energy: -28.997577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.997577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.997577 (E_RNA) where: Base-Base interactions energy: -7.126 where: short stacking energy: -7.126 Base-Backbone interact. energy: -0.001 local terms energy: -21.870617 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.072 flat angles C4'-P-C4' energy: -4.409 flat angles P-C4'-P energy: -4.397 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: 4 ===================================== Write number: 112 Temperature: 1.100000 Total energy: -27.730082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.730082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.730082 (E_RNA) where: Base-Base interactions energy: -11.414 where: short stacking energy: -11.414 Base-Backbone interact. energy: -0.000 local terms energy: -16.315627 where: bonds (distance) C4'-P energy: -2.034 bonds (distance) P-C4' energy: -5.072 flat angles C4'-P-C4' energy: -4.680 flat angles P-C4'-P energy: -2.941 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: 6, replica: 9 ===================================== Write number: 112 Temperature: 1.150000 Total energy: -30.631443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.631443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.631443 (E_RNA) where: Base-Base interactions energy: -11.722 where: short stacking energy: -10.895 Base-Backbone interact. energy: -0.031 local terms energy: -18.878092 where: bonds (distance) C4'-P energy: -3.652 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -4.780 flat angles P-C4'-P energy: -3.134 tors. eta vs tors. theta energy: -1.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 112 Temperature: 1.200000 Total energy: -30.379550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.379550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.379550 (E_RNA) where: Base-Base interactions energy: -11.235 where: short stacking energy: -11.235 Base-Backbone interact. energy: -0.004 local terms energy: -19.141005 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -4.642 flat angles C4'-P-C4' energy: -4.746 flat angles P-C4'-P energy: -2.874 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: 8, replica: 2 ===================================== Write number: 112 Temperature: 1.250000 Total energy: -27.509973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.509973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.509973 (E_RNA) where: Base-Base interactions energy: -7.311 where: short stacking energy: -7.311 Base-Backbone interact. energy: -0.100 local terms energy: -20.098800 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -3.373 flat angles P-C4'-P energy: -2.674 tors. eta vs tors. theta energy: -2.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 112 Temperature: 1.300000 Total energy: -28.232498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.232498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.232498 (E_RNA) where: Base-Base interactions energy: -12.499 where: short stacking energy: -12.499 Base-Backbone interact. energy: -0.000 local terms energy: -15.733390 where: bonds (distance) C4'-P energy: -3.983 bonds (distance) P-C4' energy: -4.875 flat angles C4'-P-C4' energy: 0.312 flat angles P-C4'-P energy: -4.097 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: 10, replica: 3 ===================================== Write number: 112 Temperature: 1.350000 Total energy: -27.228004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.228004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.228004 (E_RNA) where: Base-Base interactions energy: -6.252 where: short stacking energy: -6.252 Base-Backbone interact. energy: -0.000 local terms energy: -20.975973 where: bonds (distance) C4'-P energy: -3.731 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -3.719 flat angles P-C4'-P energy: -4.742 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: 7 ===================================== Write number: 113 Temperature: 0.900000 Total energy: -36.480936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.480936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.480936 (E_RNA) where: Base-Base interactions energy: -15.115 where: short stacking energy: -15.115 Base-Backbone interact. energy: -0.025 local terms energy: -21.340153 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -4.580 flat angles P-C4'-P energy: -2.984 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: 2, replica: 1 ===================================== Write number: 113 Temperature: 0.950000 Total energy: -36.146420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.146420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.146420 (E_RNA) where: Base-Base interactions energy: -12.108 where: short stacking energy: -12.108 Base-Backbone interact. energy: -0.000 local terms energy: -24.037944 where: bonds (distance) C4'-P energy: -4.315 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -5.065 flat angles P-C4'-P energy: -3.962 tors. eta vs tors. theta energy: -4.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 113 Temperature: 1.000000 Total energy: -30.631303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.631303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.631303 (E_RNA) where: Base-Base interactions energy: -12.056 where: short stacking energy: -12.056 Base-Backbone interact. energy: -0.000 local terms energy: -18.575476 where: bonds (distance) C4'-P energy: -3.659 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -4.586 flat angles P-C4'-P energy: -3.461 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: 4, replica: 4 ===================================== Write number: 113 Temperature: 1.050000 Total energy: -27.662890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.662890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.662890 (E_RNA) where: Base-Base interactions energy: -7.008 where: short stacking energy: -7.008 Base-Backbone interact. energy: 0.014 local terms energy: -20.668738 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.066 flat angles P-C4'-P energy: -4.542 tors. eta vs tors. theta energy: -1.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 113 Temperature: 1.100000 Total energy: -28.600478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.600478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.600478 (E_RNA) where: Base-Base interactions energy: -11.600 where: short stacking energy: -11.600 Base-Backbone interact. energy: -0.000 local terms energy: -17.000964 where: bonds (distance) C4'-P energy: -3.764 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.459 flat angles P-C4'-P energy: -0.737 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: 6, replica: 6 ===================================== Write number: 113 Temperature: 1.150000 Total energy: -27.725767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.725767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.725767 (E_RNA) where: Base-Base interactions energy: -8.107 where: short stacking energy: -8.107 Base-Backbone interact. energy: -0.000 local terms energy: -19.618688 where: bonds (distance) C4'-P energy: -4.191 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.275 flat angles P-C4'-P energy: -2.996 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: 7, replica: 9 ===================================== Write number: 113 Temperature: 1.200000 Total energy: -27.701045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.701045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.701045 (E_RNA) where: Base-Base interactions energy: -6.126 where: short stacking energy: -6.126 Base-Backbone interact. energy: -0.298 local terms energy: -21.277820 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -3.385 flat angles P-C4'-P energy: -4.103 tors. eta vs tors. theta energy: -3.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 113 Temperature: 1.250000 Total energy: -25.227011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.227011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.227011 (E_RNA) where: Base-Base interactions energy: -8.798 where: short stacking energy: -8.798 Base-Backbone interact. energy: -0.006 local terms energy: -16.422569 where: bonds (distance) C4'-P energy: -4.716 bonds (distance) P-C4' energy: -4.939 flat angles C4'-P-C4' energy: -4.779 flat angles P-C4'-P energy: -1.414 tors. eta vs tors. theta energy: -0.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 113 Temperature: 1.300000 Total energy: -22.942384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.942384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.942384 (E_RNA) where: Base-Base interactions energy: -3.850 where: short stacking energy: -3.850 Base-Backbone interact. energy: -0.009 local terms energy: -19.083074 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -4.219 flat angles C4'-P-C4' energy: -5.539 flat angles P-C4'-P energy: -4.011 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: 10, replica: 3 ===================================== Write number: 113 Temperature: 1.350000 Total energy: -24.586746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.586746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.586746 (E_RNA) where: Base-Base interactions energy: -7.937 where: short stacking energy: -7.937 Base-Backbone interact. energy: -0.000 local terms energy: -16.649471 where: bonds (distance) C4'-P energy: -4.919 bonds (distance) P-C4' energy: -4.026 flat angles C4'-P-C4' energy: -4.201 flat angles P-C4'-P energy: -1.766 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: 1, replica: 1 ===================================== Write number: 114 Temperature: 0.900000 Total energy: -34.117447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.117447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.117447 (E_RNA) where: Base-Base interactions energy: -10.746 where: short stacking energy: -10.746 Base-Backbone interact. energy: -0.000 local terms energy: -23.371387 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -4.875 flat angles C4'-P-C4' energy: -4.895 flat angles P-C4'-P energy: -4.135 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: 2, replica: 7 ===================================== Write number: 114 Temperature: 0.950000 Total energy: -30.993798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.993798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.993798 (E_RNA) where: Base-Base interactions energy: -11.543 where: short stacking energy: -11.543 Base-Backbone interact. energy: -0.001 local terms energy: -19.450011 where: bonds (distance) C4'-P energy: -4.261 bonds (distance) P-C4' energy: -4.618 flat angles C4'-P-C4' energy: -4.956 flat angles P-C4'-P energy: -3.869 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: 3, replica: 4 ===================================== Write number: 114 Temperature: 1.000000 Total energy: -35.887335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.887335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.887335 (E_RNA) where: Base-Base interactions energy: -12.586 where: short stacking energy: -12.586 Base-Backbone interact. energy: -0.002 local terms energy: -23.300024 where: bonds (distance) C4'-P energy: -4.297 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -4.990 flat angles P-C4'-P energy: -3.780 tors. eta vs tors. theta energy: -5.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 114 Temperature: 1.050000 Total energy: -32.340246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.340246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.340246 (E_RNA) where: Base-Base interactions energy: -13.582 where: short stacking energy: -13.582 Base-Backbone interact. energy: -0.001 local terms energy: -18.758022 where: bonds (distance) C4'-P energy: -4.439 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -4.174 flat angles P-C4'-P energy: -2.621 tors. eta vs tors. theta energy: -2.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 114 Temperature: 1.100000 Total energy: -28.232591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.232591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.232591 (E_RNA) where: Base-Base interactions energy: -10.214 where: short stacking energy: -10.214 Base-Backbone interact. energy: -0.098 local terms energy: -17.920170 where: bonds (distance) C4'-P energy: -4.485 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -5.348 flat angles P-C4'-P energy: -1.294 tors. eta vs tors. theta energy: -0.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 114 Temperature: 1.150000 Total energy: -32.309001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.309001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.309001 (E_RNA) where: Base-Base interactions energy: -11.192 where: short stacking energy: -11.192 Base-Backbone interact. energy: -0.000 local terms energy: -21.116720 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.176 flat angles P-C4'-P energy: -3.705 tors. eta vs tors. theta energy: -2.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 114 Temperature: 1.200000 Total energy: -24.535354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.535354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.535354 (E_RNA) where: Base-Base interactions energy: -11.811 where: short stacking energy: -11.911 Base-Backbone interact. energy: -0.021 local terms energy: -12.703019 where: bonds (distance) C4'-P energy: -4.637 bonds (distance) P-C4' energy: -5.566 flat angles C4'-P-C4' energy: -1.766 flat angles P-C4'-P energy: 0.929 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: 8, replica: 9 ===================================== Write number: 114 Temperature: 1.250000 Total energy: -26.018771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.018771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.018771 (E_RNA) where: Base-Base interactions energy: -9.729 where: short stacking energy: -9.729 Base-Backbone interact. energy: -0.020 local terms energy: -16.270002 where: bonds (distance) C4'-P energy: -4.609 bonds (distance) P-C4' energy: -2.620 flat angles C4'-P-C4' energy: -3.455 flat angles P-C4'-P energy: -2.374 tors. eta vs tors. theta energy: -3.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 114 Temperature: 1.300000 Total energy: -24.772560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.772560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.772560 (E_RNA) where: Base-Base interactions energy: -7.381 where: short stacking energy: -7.381 Base-Backbone interact. energy: -0.184 local terms energy: -17.207968 where: bonds (distance) C4'-P energy: -4.609 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.110 flat angles P-C4'-P energy: -2.182 tors. eta vs tors. theta energy: -0.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 114 Temperature: 1.350000 Total energy: -21.845759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.845759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.845759 (E_RNA) where: Base-Base interactions energy: -7.113 where: short stacking energy: -7.113 Base-Backbone interact. energy: -0.001 local terms energy: -14.732297 where: bonds (distance) C4'-P energy: -3.925 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -4.658 flat angles P-C4'-P energy: -1.864 tors. eta vs tors. theta energy: 0.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 115 Temperature: 0.900000 Total energy: -39.164275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.164275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.164275 (E_RNA) where: Base-Base interactions energy: -15.993 where: short stacking energy: -15.993 Base-Backbone interact. energy: -0.000 local terms energy: -23.171513 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -5.307 flat angles P-C4'-P energy: -2.031 tors. eta vs tors. theta energy: -4.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 115 Temperature: 0.950000 Total energy: -33.293071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.293071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.293071 (E_RNA) where: Base-Base interactions energy: -11.853 where: short stacking energy: -11.853 Base-Backbone interact. energy: -0.265 local terms energy: -21.174862 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -5.724 flat angles C4'-P-C4' energy: -4.458 flat angles P-C4'-P energy: -3.012 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: 3, replica: 7 ===================================== Write number: 115 Temperature: 1.000000 Total energy: -33.084876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.084876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.084876 (E_RNA) where: Base-Base interactions energy: -12.536 where: short stacking energy: -12.536 Base-Backbone interact. energy: -0.100 local terms energy: -20.449296 where: bonds (distance) C4'-P energy: -4.663 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -4.130 flat angles P-C4'-P energy: -4.139 tors. eta vs tors. theta energy: -1.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 115 Temperature: 1.050000 Total energy: -29.576261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.576261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.576261 (E_RNA) where: Base-Base interactions energy: -10.110 where: short stacking energy: -10.110 Base-Backbone interact. energy: 0.361 local terms energy: -19.827040 where: bonds (distance) C4'-P energy: -3.453 bonds (distance) P-C4' energy: -4.976 flat angles C4'-P-C4' energy: -5.579 flat angles P-C4'-P energy: -2.622 tors. eta vs tors. theta energy: -3.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 115 Temperature: 1.100000 Total energy: -28.992924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.992924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.992924 (E_RNA) where: Base-Base interactions energy: -11.905 where: short stacking energy: -7.154 Base-Backbone interact. energy: -0.002 local terms energy: -17.085912 where: bonds (distance) C4'-P energy: -3.826 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.125 flat angles P-C4'-P energy: -1.789 tors. eta vs tors. theta energy: -1.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 115 Temperature: 1.150000 Total energy: -31.334445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.334445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.334445 (E_RNA) where: Base-Base interactions energy: -10.500 where: short stacking energy: -10.500 Base-Backbone interact. energy: -0.000 local terms energy: -20.834709 where: bonds (distance) C4'-P energy: -4.865 bonds (distance) P-C4' energy: -4.406 flat angles C4'-P-C4' energy: -3.266 flat angles P-C4'-P energy: -4.094 tors. eta vs tors. theta energy: -4.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 115 Temperature: 1.200000 Total energy: -26.838060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.838060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.838060 (E_RNA) where: Base-Base interactions energy: -10.506 where: short stacking energy: -10.506 Base-Backbone interact. energy: -0.003 local terms energy: -16.329034 where: bonds (distance) C4'-P energy: -4.058 bonds (distance) P-C4' energy: -1.516 flat angles C4'-P-C4' energy: -5.024 flat angles P-C4'-P energy: -2.785 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: 8, replica: 9 ===================================== Write number: 115 Temperature: 1.250000 Total energy: -28.414589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.414589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.414589 (E_RNA) where: Base-Base interactions energy: -7.780 where: short stacking energy: -7.780 Base-Backbone interact. energy: -0.002 local terms energy: -20.632682 where: bonds (distance) C4'-P energy: -4.191 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.033 flat angles P-C4'-P energy: -4.610 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: 9, replica: 3 ===================================== Write number: 115 Temperature: 1.300000 Total energy: -27.291543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.291543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.291543 (E_RNA) where: Base-Base interactions energy: -11.574 where: short stacking energy: -11.574 Base-Backbone interact. energy: -0.008 local terms energy: -15.709444 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -2.938 flat angles P-C4'-P energy: -1.580 tors. eta vs tors. theta energy: 0.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 115 Temperature: 1.350000 Total energy: -26.945985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.945985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.945985 (E_RNA) where: Base-Base interactions energy: -10.811 where: short stacking energy: -10.811 Base-Backbone interact. energy: -0.124 local terms energy: -16.011246 where: bonds (distance) C4'-P energy: -2.824 bonds (distance) P-C4' energy: -4.547 flat angles C4'-P-C4' energy: -4.358 flat angles P-C4'-P energy: -3.456 tors. eta vs tors. theta energy: -0.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 116 Temperature: 0.900000 Total energy: -37.136285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.136285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.136285 (E_RNA) where: Base-Base interactions energy: -15.440 where: short stacking energy: -15.440 Base-Backbone interact. energy: -0.000 local terms energy: -21.696201 where: bonds (distance) C4'-P energy: -2.716 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.462 flat angles P-C4'-P energy: -3.195 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: 2, replica: 1 ===================================== Write number: 116 Temperature: 0.950000 Total energy: -34.318517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.318517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.318517 (E_RNA) where: Base-Base interactions energy: -11.310 where: short stacking energy: -11.310 Base-Backbone interact. energy: -0.005 local terms energy: -23.003816 where: bonds (distance) C4'-P energy: -4.628 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -4.556 flat angles P-C4'-P energy: -4.578 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: 3, replica: 5 ===================================== Write number: 116 Temperature: 1.000000 Total energy: -36.518755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.518755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.518755 (E_RNA) where: Base-Base interactions energy: -15.939 where: short stacking energy: -15.939 Base-Backbone interact. energy: -0.000 local terms energy: -20.579496 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -4.573 flat angles P-C4'-P energy: -3.494 tors. eta vs tors. theta energy: -2.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 116 Temperature: 1.050000 Total energy: -30.714729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.714729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.714729 (E_RNA) where: Base-Base interactions energy: -10.147 where: short stacking energy: -10.147 Base-Backbone interact. energy: -0.003 local terms energy: -20.565055 where: bonds (distance) C4'-P energy: -3.420 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.190 flat angles P-C4'-P energy: -3.064 tors. eta vs tors. theta energy: -2.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 116 Temperature: 1.100000 Total energy: -34.550448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.550448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.550448 (E_RNA) where: Base-Base interactions energy: -14.443 where: short stacking energy: -14.443 Base-Backbone interact. energy: -0.000 local terms energy: -20.107506 where: bonds (distance) C4'-P energy: -3.392 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -4.372 flat angles P-C4'-P energy: -3.437 tors. eta vs tors. theta energy: -3.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 116 Temperature: 1.150000 Total energy: -29.053278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.053278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.053278 (E_RNA) where: Base-Base interactions energy: -6.858 where: short stacking energy: -6.858 Base-Backbone interact. energy: -0.000 local terms energy: -22.195422 where: bonds (distance) C4'-P energy: -5.598 bonds (distance) P-C4' energy: -6.020 flat angles C4'-P-C4' energy: -3.642 flat angles P-C4'-P energy: -3.678 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: 7, replica: 6 ===================================== Write number: 116 Temperature: 1.200000 Total energy: -27.292001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.292001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.292001 (E_RNA) where: Base-Base interactions energy: -8.666 where: short stacking energy: -8.666 Base-Backbone interact. energy: -0.000 local terms energy: -18.626359 where: bonds (distance) C4'-P energy: -4.493 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -4.370 flat angles P-C4'-P energy: -1.981 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: 8, replica: 9 ===================================== Write number: 116 Temperature: 1.250000 Total energy: -25.037895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.037895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.037895 (E_RNA) where: Base-Base interactions energy: -11.006 where: short stacking energy: -11.006 Base-Backbone interact. energy: -0.000 local terms energy: -14.032302 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -3.215 flat angles C4'-P-C4' energy: -4.407 flat angles P-C4'-P energy: 0.742 tors. eta vs tors. theta energy: -2.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 116 Temperature: 1.300000 Total energy: -24.310563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.310563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.310563 (E_RNA) where: Base-Base interactions energy: -7.817 where: short stacking energy: -7.817 Base-Backbone interact. energy: -0.079 local terms energy: -16.414330 where: bonds (distance) C4'-P energy: -4.219 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -1.521 flat angles P-C4'-P energy: -2.662 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: 10, replica: 3 ===================================== Write number: 116 Temperature: 1.350000 Total energy: -25.697993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.697993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.697993 (E_RNA) where: Base-Base interactions energy: -9.435 where: short stacking energy: -9.435 Base-Backbone interact. energy: -0.029 local terms energy: -16.233523 where: bonds (distance) C4'-P energy: -3.475 bonds (distance) P-C4' energy: -3.572 flat angles C4'-P-C4' energy: -3.884 flat angles P-C4'-P energy: -3.425 tors. eta vs tors. theta energy: -1.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 117 Temperature: 0.900000 Total energy: -33.841010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.841010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.841010 (E_RNA) where: Base-Base interactions energy: -12.819 where: short stacking energy: -12.819 Base-Backbone interact. energy: -0.064 local terms energy: -20.958522 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -5.566 flat angles C4'-P-C4' energy: -4.802 flat angles P-C4'-P energy: -4.109 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: 2, replica: 5 ===================================== Write number: 117 Temperature: 0.950000 Total energy: -31.165906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.165906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.165906 (E_RNA) where: Base-Base interactions energy: -12.524 where: short stacking energy: -12.524 Base-Backbone interact. energy: -0.084 local terms energy: -18.558258 where: bonds (distance) C4'-P energy: -4.103 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -5.485 flat angles P-C4'-P energy: -2.412 tors. eta vs tors. theta energy: -0.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 117 Temperature: 1.000000 Total energy: -30.799612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.799612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.799612 (E_RNA) where: Base-Base interactions energy: -10.091 where: short stacking energy: -10.091 Base-Backbone interact. energy: -0.001 local terms energy: -20.707459 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -2.696 flat angles P-C4'-P energy: -3.295 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: 8 ===================================== Write number: 117 Temperature: 1.050000 Total energy: -32.389263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.389263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.389263 (E_RNA) where: Base-Base interactions energy: -9.868 where: short stacking energy: -9.868 Base-Backbone interact. energy: -0.000 local terms energy: -22.520853 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.209 flat angles P-C4'-P energy: -2.173 tors. eta vs tors. theta energy: -3.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 117 Temperature: 1.100000 Total energy: -28.296357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.296357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.296357 (E_RNA) where: Base-Base interactions energy: -9.846 where: short stacking energy: -9.846 Base-Backbone interact. energy: -0.000 local terms energy: -18.450065 where: bonds (distance) C4'-P energy: -3.172 bonds (distance) P-C4' energy: -3.212 flat angles C4'-P-C4' energy: -4.746 flat angles P-C4'-P energy: -3.655 tors. eta vs tors. theta energy: -3.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 117 Temperature: 1.150000 Total energy: -31.227919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.227919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.227919 (E_RNA) where: Base-Base interactions energy: -11.728 where: short stacking energy: -11.728 Base-Backbone interact. energy: -0.095 local terms energy: -19.404400 where: bonds (distance) C4'-P energy: -4.778 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.656 flat angles P-C4'-P energy: -3.720 tors. eta vs tors. theta energy: -0.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 117 Temperature: 1.200000 Total energy: -27.438234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.438234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.438234 (E_RNA) where: Base-Base interactions energy: -12.472 where: short stacking energy: -11.072 Base-Backbone interact. energy: 1.059 local terms energy: -16.025219 where: bonds (distance) C4'-P energy: -4.049 bonds (distance) P-C4' energy: -3.660 flat angles C4'-P-C4' energy: -5.151 flat angles P-C4'-P energy: -2.972 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: 8, replica: 2 ===================================== Write number: 117 Temperature: 1.250000 Total energy: -29.686578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.686578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.686578 (E_RNA) where: Base-Base interactions energy: -8.906 where: short stacking energy: -8.906 Base-Backbone interact. energy: -0.000 local terms energy: -20.780819 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.696 flat angles P-C4'-P energy: -3.718 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: 9, replica: 9 ===================================== Write number: 117 Temperature: 1.300000 Total energy: -25.905793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.905793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.905793 (E_RNA) where: Base-Base interactions energy: -5.824 where: short stacking energy: -5.824 Base-Backbone interact. energy: -0.077 local terms energy: -20.005043 where: bonds (distance) C4'-P energy: -3.428 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -4.480 flat angles P-C4'-P energy: -4.656 tors. eta vs tors. theta energy: -2.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 117 Temperature: 1.350000 Total energy: -24.976209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.976209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.976209 (E_RNA) where: Base-Base interactions energy: -7.153 where: short stacking energy: -7.153 Base-Backbone interact. energy: -0.000 local terms energy: -17.823062 where: bonds (distance) C4'-P energy: -2.575 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.033 flat angles P-C4'-P energy: -2.538 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: 1, replica: 5 ===================================== Write number: 118 Temperature: 0.900000 Total energy: -39.117342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.117342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.117342 (E_RNA) where: Base-Base interactions energy: -16.488 where: short stacking energy: -16.488 Base-Backbone interact. energy: -0.000 local terms energy: -22.629419 where: bonds (distance) C4'-P energy: -2.745 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -5.444 flat angles P-C4'-P energy: -4.306 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: 4 ===================================== Write number: 118 Temperature: 0.950000 Total energy: -33.556046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.556046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.556046 (E_RNA) where: Base-Base interactions energy: -11.220 where: short stacking energy: -11.220 Base-Backbone interact. energy: -0.000 local terms energy: -22.336029 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.286 flat angles C4'-P-C4' energy: -5.026 flat angles P-C4'-P energy: -3.439 tors. eta vs tors. theta energy: -3.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 118 Temperature: 1.000000 Total energy: -36.866195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.866195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.866195 (E_RNA) where: Base-Base interactions energy: -15.308 where: short stacking energy: -15.308 Base-Backbone interact. energy: -0.000 local terms energy: -21.558375 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -5.609 flat angles P-C4'-P energy: -1.228 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: 4, replica: 1 ===================================== Write number: 118 Temperature: 1.050000 Total energy: -26.194963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.194963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.194963 (E_RNA) where: Base-Base interactions energy: -6.813 where: short stacking energy: -6.813 Base-Backbone interact. energy: -0.001 local terms energy: -19.381683 where: bonds (distance) C4'-P energy: -4.235 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -5.359 flat angles P-C4'-P energy: -2.940 tors. eta vs tors. theta energy: -1.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 118 Temperature: 1.100000 Total energy: -30.830127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.830127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.830127 (E_RNA) where: Base-Base interactions energy: -9.848 where: short stacking energy: -9.848 Base-Backbone interact. energy: -0.000 local terms energy: -20.982330 where: bonds (distance) C4'-P energy: -3.482 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.273 flat angles P-C4'-P energy: -4.059 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: 6, replica: 7 ===================================== Write number: 118 Temperature: 1.150000 Total energy: -29.789226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.789226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.789226 (E_RNA) where: Base-Base interactions energy: -9.401 where: short stacking energy: -9.401 Base-Backbone interact. energy: -0.013 local terms energy: -20.375305 where: bonds (distance) C4'-P energy: -4.199 bonds (distance) P-C4' energy: -5.234 flat angles C4'-P-C4' energy: -5.558 flat angles P-C4'-P energy: -2.942 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: 2 ===================================== Write number: 118 Temperature: 1.200000 Total energy: -27.727545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.727545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.727545 (E_RNA) where: Base-Base interactions energy: -10.097 where: short stacking energy: -10.097 Base-Backbone interact. energy: -0.000 local terms energy: -17.629973 where: bonds (distance) C4'-P energy: -5.018 bonds (distance) P-C4' energy: -4.448 flat angles C4'-P-C4' energy: -1.369 flat angles P-C4'-P energy: -4.007 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: 10 ===================================== Write number: 118 Temperature: 1.250000 Total energy: -31.601633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.601633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.601633 (E_RNA) where: Base-Base interactions energy: -12.453 where: short stacking energy: -12.453 Base-Backbone interact. energy: -0.000 local terms energy: -19.148596 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -2.351 flat angles P-C4'-P energy: -3.038 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: 9, replica: 3 ===================================== Write number: 118 Temperature: 1.300000 Total energy: -25.112723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.112723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.112723 (E_RNA) where: Base-Base interactions energy: -6.146 where: short stacking energy: -6.146 Base-Backbone interact. energy: 0.298 local terms energy: -19.264218 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.298 flat angles C4'-P-C4' energy: -5.083 flat angles P-C4'-P energy: -2.295 tors. eta vs tors. theta energy: -1.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 118 Temperature: 1.350000 Total energy: -25.605267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.605267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.605267 (E_RNA) where: Base-Base interactions energy: -8.796 where: short stacking energy: -8.796 Base-Backbone interact. energy: -0.001 local terms energy: -16.808177 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -4.258 flat angles C4'-P-C4' energy: -3.155 flat angles P-C4'-P energy: -3.436 tors. eta vs tors. theta energy: -0.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 119 Temperature: 0.900000 Total energy: -35.127429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.127429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.127429 (E_RNA) where: Base-Base interactions energy: -11.917 where: short stacking energy: -11.917 Base-Backbone interact. energy: -0.000 local terms energy: -23.210692 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.554 flat angles P-C4'-P energy: -3.103 tors. eta vs tors. theta energy: -4.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 119 Temperature: 0.950000 Total energy: -33.643149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.643149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.643149 (E_RNA) where: Base-Base interactions energy: -11.910 where: short stacking energy: -11.910 Base-Backbone interact. energy: -0.000 local terms energy: -21.732839 where: bonds (distance) C4'-P energy: -4.911 bonds (distance) P-C4' energy: -4.411 flat angles C4'-P-C4' energy: -4.848 flat angles P-C4'-P energy: -2.991 tors. eta vs tors. theta energy: -4.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 119 Temperature: 1.000000 Total energy: -32.823669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.823669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.823669 (E_RNA) where: Base-Base interactions energy: -10.873 where: short stacking energy: -10.873 Base-Backbone interact. energy: -0.002 local terms energy: -21.948229 where: bonds (distance) C4'-P energy: -4.157 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -3.714 flat angles P-C4'-P energy: -4.524 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: 4, replica: 1 ===================================== Write number: 119 Temperature: 1.050000 Total energy: -33.259354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.259354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.259354 (E_RNA) where: Base-Base interactions energy: -11.220 where: short stacking energy: -11.220 Base-Backbone interact. energy: -0.032 local terms energy: -22.007474 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.333 flat angles C4'-P-C4' energy: -4.959 flat angles P-C4'-P energy: -4.504 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: 6 ===================================== Write number: 119 Temperature: 1.100000 Total energy: -35.156755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.156755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.156755 (E_RNA) where: Base-Base interactions energy: -14.606 where: short stacking energy: -14.606 Base-Backbone interact. energy: -0.000 local terms energy: -20.550411 where: bonds (distance) C4'-P energy: -3.768 bonds (distance) P-C4' energy: -4.473 flat angles C4'-P-C4' energy: -5.236 flat angles P-C4'-P energy: -1.445 tors. eta vs tors. theta energy: -5.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 119 Temperature: 1.150000 Total energy: -28.528941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.528941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.528941 (E_RNA) where: Base-Base interactions energy: -8.255 where: short stacking energy: -8.255 Base-Backbone interact. energy: -0.035 local terms energy: -20.238887 where: bonds (distance) C4'-P energy: -5.089 bonds (distance) P-C4' energy: -4.639 flat angles C4'-P-C4' energy: -5.505 flat angles P-C4'-P energy: -2.335 tors. eta vs tors. theta energy: -2.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 119 Temperature: 1.200000 Total energy: -26.775764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.775764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.775764 (E_RNA) where: Base-Base interactions energy: -8.930 where: short stacking energy: -8.930 Base-Backbone interact. energy: -0.070 local terms energy: -17.775398 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -4.706 flat angles C4'-P-C4' energy: -4.571 flat angles P-C4'-P energy: -3.840 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: 8, replica: 3 ===================================== Write number: 119 Temperature: 1.250000 Total energy: -22.024038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.024038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.024038 (E_RNA) where: Base-Base interactions energy: -2.987 where: short stacking energy: -2.987 Base-Backbone interact. energy: -0.100 local terms energy: -18.937692 where: bonds (distance) C4'-P energy: -2.418 bonds (distance) P-C4' energy: -4.019 flat angles C4'-P-C4' energy: -5.133 flat angles P-C4'-P energy: -4.350 tors. eta vs tors. theta energy: -3.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 119 Temperature: 1.300000 Total energy: -25.254855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.254855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.254855 (E_RNA) where: Base-Base interactions energy: -8.377 where: short stacking energy: -8.377 Base-Backbone interact. energy: -0.000 local terms energy: -16.878126 where: bonds (distance) C4'-P energy: -4.173 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.397 flat angles P-C4'-P energy: -3.273 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: 10, replica: 9 ===================================== Write number: 119 Temperature: 1.350000 Total energy: -30.345144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.345144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.345144 (E_RNA) where: Base-Base interactions energy: -10.987 where: short stacking energy: -10.987 Base-Backbone interact. energy: -0.014 local terms energy: -19.343940 where: bonds (distance) C4'-P energy: -3.925 bonds (distance) P-C4' energy: -3.615 flat angles C4'-P-C4' energy: -4.594 flat angles P-C4'-P energy: -3.840 tors. eta vs tors. theta energy: -3.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 120 Temperature: 0.900000 Total energy: -31.352377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.352377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.352377 (E_RNA) where: Base-Base interactions energy: -11.882 where: short stacking energy: -11.882 Base-Backbone interact. energy: -0.005 local terms energy: -19.466306 where: bonds (distance) C4'-P energy: -4.025 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -3.774 flat angles P-C4'-P energy: -3.894 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: 2, replica: 5 ===================================== Write number: 120 Temperature: 0.950000 Total energy: -38.005518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.005518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.005518 (E_RNA) where: Base-Base interactions energy: -13.957 where: short stacking energy: -13.957 Base-Backbone interact. energy: -0.003 local terms energy: -24.045484 where: bonds (distance) C4'-P energy: -4.129 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.083 flat angles P-C4'-P energy: -4.510 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: 3, replica: 8 ===================================== Write number: 120 Temperature: 1.000000 Total energy: -36.186530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.186530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.186530 (E_RNA) where: Base-Base interactions energy: -16.259 where: short stacking energy: -16.259 Base-Backbone interact. energy: -0.015 local terms energy: -19.912372 where: bonds (distance) C4'-P energy: -2.560 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.304 flat angles P-C4'-P energy: -3.274 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: 4, replica: 1 ===================================== Write number: 120 Temperature: 1.050000 Total energy: -30.584105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.584105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.584105 (E_RNA) where: Base-Base interactions energy: -11.272 where: short stacking energy: -11.272 Base-Backbone interact. energy: -0.005 local terms energy: -19.307499 where: bonds (distance) C4'-P energy: -4.173 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.532 flat angles P-C4'-P energy: -3.209 tors. eta vs tors. theta energy: -1.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 120 Temperature: 1.100000 Total energy: -28.803851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.803851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.803851 (E_RNA) where: Base-Base interactions energy: -7.240 where: short stacking energy: -7.240 Base-Backbone interact. energy: -0.000 local terms energy: -21.563617 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.494 flat angles C4'-P-C4' energy: -5.401 flat angles P-C4'-P energy: -2.679 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: 6, replica: 6 ===================================== Write number: 120 Temperature: 1.150000 Total energy: -29.308233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.308233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.308233 (E_RNA) where: Base-Base interactions energy: -9.955 where: short stacking energy: -9.955 Base-Backbone interact. energy: -0.034 local terms energy: -19.319216 where: bonds (distance) C4'-P energy: -3.800 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.735 flat angles P-C4'-P energy: -3.160 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: 7, replica: 3 ===================================== Write number: 120 Temperature: 1.200000 Total energy: -29.973223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.973223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.973223 (E_RNA) where: Base-Base interactions energy: -11.743 where: short stacking energy: -11.743 Base-Backbone interact. energy: -0.039 local terms energy: -18.191813 where: bonds (distance) C4'-P energy: -4.165 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -3.202 flat angles P-C4'-P energy: -4.226 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: 8, replica: 2 ===================================== Write number: 120 Temperature: 1.250000 Total energy: -29.024584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.024584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.024584 (E_RNA) where: Base-Base interactions energy: -9.072 where: short stacking energy: -9.072 Base-Backbone interact. energy: -0.000 local terms energy: -19.952137 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -3.414 flat angles P-C4'-P energy: -4.598 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: 9, replica: 9 ===================================== Write number: 120 Temperature: 1.300000 Total energy: -26.467936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.467936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.467936 (E_RNA) where: Base-Base interactions energy: -7.247 where: short stacking energy: -7.247 Base-Backbone interact. energy: -0.000 local terms energy: -19.221031 where: bonds (distance) C4'-P energy: -4.277 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -5.300 flat angles P-C4'-P energy: -2.055 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: 10, replica: 10 ===================================== Write number: 120 Temperature: 1.350000 Total energy: -24.710348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.710348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.710348 (E_RNA) where: Base-Base interactions energy: -5.909 where: short stacking energy: -5.909 Base-Backbone interact. energy: -0.206 local terms energy: -18.595287 where: bonds (distance) C4'-P energy: -4.493 bonds (distance) P-C4' energy: -5.065 flat angles C4'-P-C4' energy: -3.928 flat angles P-C4'-P energy: -3.826 tors. eta vs tors. theta energy: -1.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 121 Temperature: 0.900000 Total energy: -31.326747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.326747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.326747 (E_RNA) where: Base-Base interactions energy: -12.113 where: short stacking energy: -12.113 Base-Backbone interact. energy: -0.065 local terms energy: -19.149108 where: bonds (distance) C4'-P energy: -4.911 bonds (distance) P-C4' energy: -5.783 flat angles C4'-P-C4' energy: -3.568 flat angles P-C4'-P energy: -2.996 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: 2, replica: 8 ===================================== Write number: 121 Temperature: 0.950000 Total energy: -32.060183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.060183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.060183 (E_RNA) where: Base-Base interactions energy: -12.033 where: short stacking energy: -12.033 Base-Backbone interact. energy: -0.000 local terms energy: -20.026974 where: bonds (distance) C4'-P energy: -4.053 bonds (distance) P-C4' energy: -4.832 flat angles C4'-P-C4' energy: -5.336 flat angles P-C4'-P energy: -3.604 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: 5 ===================================== Write number: 121 Temperature: 1.000000 Total energy: -34.701699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.701699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.701699 (E_RNA) where: Base-Base interactions energy: -13.439 where: short stacking energy: -13.439 Base-Backbone interact. energy: -0.000 local terms energy: -21.262809 where: bonds (distance) C4'-P energy: -2.729 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.505 flat angles P-C4'-P energy: -2.950 tors. eta vs tors. theta energy: -4.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 121 Temperature: 1.050000 Total energy: -36.570255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.570255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.570255 (E_RNA) where: Base-Base interactions energy: -15.222 where: short stacking energy: -15.222 Base-Backbone interact. energy: -0.000 local terms energy: -21.348410 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.522 flat angles C4'-P-C4' energy: -4.304 flat angles P-C4'-P energy: -2.851 tors. eta vs tors. theta energy: -3.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 121 Temperature: 1.100000 Total energy: -37.285514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.285514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.285514 (E_RNA) where: Base-Base interactions energy: -14.537 where: short stacking energy: -14.537 Base-Backbone interact. energy: -0.000 local terms energy: -22.748129 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -2.240 flat angles C4'-P-C4' energy: -5.569 flat angles P-C4'-P energy: -4.390 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: 6, replica: 3 ===================================== Write number: 121 Temperature: 1.150000 Total energy: -32.286028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.286028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.286028 (E_RNA) where: Base-Base interactions energy: -12.102 where: short stacking energy: -12.102 Base-Backbone interact. energy: -0.015 local terms energy: -20.169564 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -3.875 flat angles P-C4'-P energy: -3.983 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: 7, replica: 6 ===================================== Write number: 121 Temperature: 1.200000 Total energy: -27.966118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.966118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.966118 (E_RNA) where: Base-Base interactions energy: -7.983 where: short stacking energy: -7.983 Base-Backbone interact. energy: -0.003 local terms energy: -19.979992 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -4.240 flat angles C4'-P-C4' energy: -4.002 flat angles P-C4'-P energy: -3.141 tors. eta vs tors. theta energy: -3.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 121 Temperature: 1.250000 Total energy: -29.397329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.397329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.397329 (E_RNA) where: Base-Base interactions energy: -10.518 where: short stacking energy: -10.518 Base-Backbone interact. energy: -0.000 local terms energy: -18.879075 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -4.835 flat angles C4'-P-C4' energy: -5.201 flat angles P-C4'-P energy: -1.976 tors. eta vs tors. theta energy: -1.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 121 Temperature: 1.300000 Total energy: -27.237636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.237636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.237636 (E_RNA) where: Base-Base interactions energy: -6.443 where: short stacking energy: -6.443 Base-Backbone interact. energy: -0.004 local terms energy: -20.790749 where: bonds (distance) C4'-P energy: -4.219 bonds (distance) P-C4' energy: -4.715 flat angles C4'-P-C4' energy: -5.169 flat angles P-C4'-P energy: -4.428 tors. eta vs tors. theta energy: -2.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 121 Temperature: 1.350000 Total energy: -25.269266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.269266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.269266 (E_RNA) where: Base-Base interactions energy: -7.867 where: short stacking energy: -7.867 Base-Backbone interact. energy: -0.025 local terms energy: -17.377447 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -5.305 flat angles C4'-P-C4' energy: -3.256 flat angles P-C4'-P energy: -2.252 tors. eta vs tors. theta energy: -1.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 122 Temperature: 0.900000 Total energy: -40.634886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.634886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.634886 (E_RNA) where: Base-Base interactions energy: -16.449 where: short stacking energy: -16.449 Base-Backbone interact. energy: -0.000 local terms energy: -24.186156 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -4.688 flat angles C4'-P-C4' energy: -5.510 flat angles P-C4'-P energy: -4.235 tors. eta vs tors. theta energy: -4.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 122 Temperature: 0.950000 Total energy: -32.885681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.885681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.885681 (E_RNA) where: Base-Base interactions energy: -10.723 where: short stacking energy: -10.723 Base-Backbone interact. energy: -0.000 local terms energy: -22.162433 where: bonds (distance) C4'-P energy: -4.307 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -3.043 flat angles P-C4'-P energy: -4.720 tors. eta vs tors. theta energy: -4.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 122 Temperature: 1.000000 Total energy: -33.982933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.982933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.982933 (E_RNA) where: Base-Base interactions energy: -11.214 where: short stacking energy: -11.214 Base-Backbone interact. energy: -0.000 local terms energy: -22.769188 where: bonds (distance) C4'-P energy: -4.653 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -5.255 flat angles P-C4'-P energy: -2.522 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: 4, replica: 5 ===================================== Write number: 122 Temperature: 1.050000 Total energy: -30.786316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.786316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.786316 (E_RNA) where: Base-Base interactions energy: -11.113 where: short stacking energy: -11.113 Base-Backbone interact. energy: -0.003 local terms energy: -19.669640 where: bonds (distance) C4'-P energy: -4.049 bonds (distance) P-C4' energy: -4.448 flat angles C4'-P-C4' energy: -4.471 flat angles P-C4'-P energy: -3.751 tors. eta vs tors. theta energy: -2.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 122 Temperature: 1.100000 Total energy: -26.545436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.545436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.545436 (E_RNA) where: Base-Base interactions energy: -7.325 where: short stacking energy: -7.325 Base-Backbone interact. energy: -0.002 local terms energy: -19.218531 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -4.782 flat angles C4'-P-C4' energy: -5.855 flat angles P-C4'-P energy: -2.369 tors. eta vs tors. theta energy: -1.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 122 Temperature: 1.150000 Total energy: -25.464624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.464624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.464624 (E_RNA) where: Base-Base interactions energy: -6.285 where: short stacking energy: -6.285 Base-Backbone interact. energy: -0.065 local terms energy: -19.114607 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.112 flat angles P-C4'-P energy: -2.618 tors. eta vs tors. theta energy: -0.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 122 Temperature: 1.200000 Total energy: -27.478296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.478296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.478296 (E_RNA) where: Base-Base interactions energy: -6.811 where: short stacking energy: -6.811 Base-Backbone interact. energy: -0.000 local terms energy: -20.666660 where: bonds (distance) C4'-P energy: -3.400 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -5.642 flat angles P-C4'-P energy: -3.875 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: 8, replica: 6 ===================================== Write number: 122 Temperature: 1.250000 Total energy: -25.307427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.307427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.307427 (E_RNA) where: Base-Base interactions energy: -7.001 where: short stacking energy: -7.001 Base-Backbone interact. energy: -0.094 local terms energy: -18.212384 where: bonds (distance) C4'-P energy: -3.839 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -5.115 flat angles P-C4'-P energy: -2.210 tors. eta vs tors. theta energy: -1.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 122 Temperature: 1.300000 Total energy: -24.664962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.664962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.664962 (E_RNA) where: Base-Base interactions energy: -7.463 where: short stacking energy: -7.463 Base-Backbone interact. energy: -0.000 local terms energy: -17.201837 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -4.922 flat angles P-C4'-P energy: -1.497 tors. eta vs tors. theta energy: -0.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 122 Temperature: 1.350000 Total energy: -25.075587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.075587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.075587 (E_RNA) where: Base-Base interactions energy: -7.601 where: short stacking energy: -7.601 Base-Backbone interact. energy: -0.000 local terms energy: -17.473945 where: bonds (distance) C4'-P energy: -4.753 bonds (distance) P-C4' energy: -4.255 flat angles C4'-P-C4' energy: -4.666 flat angles P-C4'-P energy: -2.283 tors. eta vs tors. theta energy: -1.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 123 Temperature: 0.900000 Total energy: -31.690824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.690824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.690824 (E_RNA) where: Base-Base interactions energy: -6.986 where: short stacking energy: -6.986 Base-Backbone interact. energy: -0.000 local terms energy: -24.705044 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -4.794 flat angles P-C4'-P energy: -4.480 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: 2, replica: 7 ===================================== Write number: 123 Temperature: 0.950000 Total energy: -34.091251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.091251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.091251 (E_RNA) where: Base-Base interactions energy: -10.851 where: short stacking energy: -10.851 Base-Backbone interact. energy: -0.001 local terms energy: -23.240056 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.660 flat angles P-C4'-P energy: -2.980 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: 4 ===================================== Write number: 123 Temperature: 1.000000 Total energy: -36.068571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.068571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.068571 (E_RNA) where: Base-Base interactions energy: -13.236 where: short stacking energy: -13.236 Base-Backbone interact. energy: -0.023 local terms energy: -22.809196 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -4.541 flat angles P-C4'-P energy: -4.634 tors. eta vs tors. theta energy: -2.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 123 Temperature: 1.050000 Total energy: -33.662114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.662114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.662114 (E_RNA) where: Base-Base interactions energy: -9.858 where: short stacking energy: -9.858 Base-Backbone interact. energy: -0.000 local terms energy: -23.803793 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -5.393 flat angles P-C4'-P energy: -2.997 tors. eta vs tors. theta energy: -4.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 123 Temperature: 1.100000 Total energy: -29.430507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.430507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.430507 (E_RNA) where: Base-Base interactions energy: -7.952 where: short stacking energy: -7.973 Base-Backbone interact. energy: -0.126 local terms energy: -21.351826 where: bonds (distance) C4'-P energy: -4.981 bonds (distance) P-C4' energy: -5.234 flat angles C4'-P-C4' energy: -5.372 flat angles P-C4'-P energy: -3.966 tors. eta vs tors. theta energy: -1.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 123 Temperature: 1.150000 Total energy: -26.281487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.281487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.281487 (E_RNA) where: Base-Base interactions energy: -6.769 where: short stacking energy: -6.769 Base-Backbone interact. energy: -0.001 local terms energy: -19.511317 where: bonds (distance) C4'-P energy: -4.485 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -3.961 flat angles P-C4'-P energy: -4.277 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: 7, replica: 1 ===================================== Write number: 123 Temperature: 1.200000 Total energy: -25.054524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.054524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.054524 (E_RNA) where: Base-Base interactions energy: -6.002 where: short stacking energy: -6.002 Base-Backbone interact. energy: -0.055 local terms energy: -18.998135 where: bonds (distance) C4'-P energy: -3.412 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.852 flat angles P-C4'-P energy: -2.599 tors. eta vs tors. theta energy: -1.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 123 Temperature: 1.250000 Total energy: -28.966758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.966758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.966758 (E_RNA) where: Base-Base interactions energy: -11.365 where: short stacking energy: -11.365 Base-Backbone interact. energy: -0.001 local terms energy: -17.600052 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -1.811 flat angles C4'-P-C4' energy: -5.731 flat angles P-C4'-P energy: -3.169 tors. eta vs tors. theta energy: -1.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 123 Temperature: 1.300000 Total energy: -29.154379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.154379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.154379 (E_RNA) where: Base-Base interactions energy: -8.291 where: short stacking energy: -7.488 Base-Backbone interact. energy: -0.000 local terms energy: -20.863573 where: bonds (distance) C4'-P energy: -4.840 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.446 flat angles P-C4'-P energy: -1.629 tors. eta vs tors. theta energy: -3.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 123 Temperature: 1.350000 Total energy: -23.497180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.497180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.497180 (E_RNA) where: Base-Base interactions energy: -7.332 where: short stacking energy: -7.332 Base-Backbone interact. energy: -0.169 local terms energy: -15.995818 where: bonds (distance) C4'-P energy: -4.103 bonds (distance) P-C4' energy: -3.768 flat angles C4'-P-C4' energy: -4.994 flat angles P-C4'-P energy: -1.971 tors. eta vs tors. theta energy: -1.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 124 Temperature: 0.900000 Total energy: -38.504216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.504216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.504216 (E_RNA) where: Base-Base interactions energy: -15.507 where: short stacking energy: -15.507 Base-Backbone interact. energy: -0.000 local terms energy: -22.997472 where: bonds (distance) C4'-P energy: -5.010 bonds (distance) P-C4' energy: -4.875 flat angles C4'-P-C4' energy: -5.420 flat angles P-C4'-P energy: -3.411 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: 8 ===================================== Write number: 124 Temperature: 0.950000 Total energy: -34.040918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.040918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.040918 (E_RNA) where: Base-Base interactions energy: -12.131 where: short stacking energy: -12.131 Base-Backbone interact. energy: -0.000 local terms energy: -21.909700 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -4.853 flat angles P-C4'-P energy: -2.595 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: 3, replica: 5 ===================================== Write number: 124 Temperature: 1.000000 Total energy: -28.398214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.398214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.398214 (E_RNA) where: Base-Base interactions energy: -9.102 where: short stacking energy: -9.102 Base-Backbone interact. energy: -0.455 local terms energy: -18.841949 where: bonds (distance) C4'-P energy: -4.057 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.224 flat angles P-C4'-P energy: -4.122 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: 4, replica: 4 ===================================== Write number: 124 Temperature: 1.050000 Total energy: -32.318235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.318235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.318235 (E_RNA) where: Base-Base interactions energy: -13.126 where: short stacking energy: -13.126 Base-Backbone interact. energy: -0.021 local terms energy: -19.170858 where: bonds (distance) C4'-P energy: -5.275 bonds (distance) P-C4' energy: -3.991 flat angles C4'-P-C4' energy: -3.556 flat angles P-C4'-P energy: -3.813 tors. eta vs tors. theta energy: -2.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 124 Temperature: 1.100000 Total energy: -26.106969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.106969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.106969 (E_RNA) where: Base-Base interactions energy: -6.377 where: short stacking energy: -6.377 Base-Backbone interact. energy: -0.007 local terms energy: -19.723291 where: bonds (distance) C4'-P energy: -5.283 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -2.784 flat angles P-C4'-P energy: -4.159 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: 3 ===================================== Write number: 124 Temperature: 1.150000 Total energy: -29.585126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.585126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.585126 (E_RNA) where: Base-Base interactions energy: -12.813 where: short stacking energy: -12.813 Base-Backbone interact. energy: -0.002 local terms energy: -16.770292 where: bonds (distance) C4'-P energy: -4.645 bonds (distance) P-C4' energy: -4.534 flat angles C4'-P-C4' energy: -5.000 flat angles P-C4'-P energy: -3.046 tors. eta vs tors. theta energy: 0.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 124 Temperature: 1.200000 Total energy: -26.202016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.202016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.202016 (E_RNA) where: Base-Base interactions energy: -7.560 where: short stacking energy: -7.560 Base-Backbone interact. energy: -0.001 local terms energy: -18.641765 where: bonds (distance) C4'-P energy: -4.413 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -3.061 flat angles P-C4'-P energy: -2.932 tors. eta vs tors. theta energy: -2.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 124 Temperature: 1.250000 Total energy: -28.218399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.218399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.218399 (E_RNA) where: Base-Base interactions energy: -7.207 where: short stacking energy: -7.207 Base-Backbone interact. energy: -0.002 local terms energy: -21.009656 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.043 flat angles C4'-P-C4' energy: -5.366 flat angles P-C4'-P energy: -3.904 tors. eta vs tors. theta energy: -1.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 124 Temperature: 1.300000 Total energy: -24.186948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.186948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.186948 (E_RNA) where: Base-Base interactions energy: -9.125 where: short stacking energy: -9.125 Base-Backbone interact. energy: -0.004 local terms energy: -15.057935 where: bonds (distance) C4'-P energy: -3.374 bonds (distance) P-C4' energy: -3.307 flat angles C4'-P-C4' energy: -4.937 flat angles P-C4'-P energy: -1.883 tors. eta vs tors. theta energy: -1.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 124 Temperature: 1.350000 Total energy: -27.296970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.296970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.296970 (E_RNA) where: Base-Base interactions energy: -7.213 where: short stacking energy: -7.213 Base-Backbone interact. energy: -0.059 local terms energy: -20.024769 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -4.084 flat angles C4'-P-C4' energy: -5.389 flat angles P-C4'-P energy: -3.991 tors. eta vs tors. theta energy: -1.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 125 Temperature: 0.900000 Total energy: -32.227215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.227215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.227215 (E_RNA) where: Base-Base interactions energy: -12.916 where: short stacking energy: -12.924 Base-Backbone interact. energy: -0.026 local terms energy: -19.284843 where: bonds (distance) C4'-P energy: -5.275 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -3.464 flat angles P-C4'-P energy: -2.670 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: 5 ===================================== Write number: 125 Temperature: 0.950000 Total energy: -39.110606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.110606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.110606 (E_RNA) where: Base-Base interactions energy: -13.534 where: short stacking energy: -13.534 Base-Backbone interact. energy: -0.000 local terms energy: -25.576673 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -4.658 flat angles P-C4'-P energy: -3.783 tors. eta vs tors. theta energy: -5.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 125 Temperature: 1.000000 Total energy: -34.773815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.773815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.773815 (E_RNA) where: Base-Base interactions energy: -14.617 where: short stacking energy: -14.617 Base-Backbone interact. energy: -0.009 local terms energy: -20.147301 where: bonds (distance) C4'-P energy: -4.513 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.156 flat angles P-C4'-P energy: -3.147 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: 4, replica: 9 ===================================== Write number: 125 Temperature: 1.050000 Total energy: -32.029150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.029150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.029150 (E_RNA) where: Base-Base interactions energy: -11.266 where: short stacking energy: -11.266 Base-Backbone interact. energy: -0.003 local terms energy: -20.759735 where: bonds (distance) C4'-P energy: -4.786 bonds (distance) P-C4' energy: -5.476 flat angles C4'-P-C4' energy: -4.980 flat angles P-C4'-P energy: -4.683 tors. eta vs tors. theta energy: -0.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 125 Temperature: 1.100000 Total energy: -31.512013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.512013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.512013 (E_RNA) where: Base-Base interactions energy: -13.904 where: short stacking energy: -13.904 Base-Backbone interact. energy: -0.097 local terms energy: -17.510687 where: bonds (distance) C4'-P energy: -2.531 bonds (distance) P-C4' energy: -3.934 flat angles C4'-P-C4' energy: -3.610 flat angles P-C4'-P energy: -3.532 tors. eta vs tors. theta energy: -3.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 125 Temperature: 1.150000 Total energy: -29.240622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.240622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.240622 (E_RNA) where: Base-Base interactions energy: -6.557 where: short stacking energy: -6.557 Base-Backbone interact. energy: -0.021 local terms energy: -22.662761 where: bonds (distance) C4'-P energy: -4.555 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.587 flat angles P-C4'-P energy: -4.767 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: 7, replica: 3 ===================================== Write number: 125 Temperature: 1.200000 Total energy: -31.154954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.154954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.154954 (E_RNA) where: Base-Base interactions energy: -8.814 where: short stacking energy: -8.814 Base-Backbone interact. energy: -0.000 local terms energy: -22.341382 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -5.212 flat angles P-C4'-P energy: -2.805 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: 8, replica: 2 ===================================== Write number: 125 Temperature: 1.250000 Total energy: -28.590220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.590220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.590220 (E_RNA) where: Base-Base interactions energy: -11.224 where: short stacking energy: -11.224 Base-Backbone interact. energy: -0.000 local terms energy: -17.366526 where: bonds (distance) C4'-P energy: -2.825 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -1.796 flat angles P-C4'-P energy: -2.377 tors. eta vs tors. theta energy: -4.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 125 Temperature: 1.300000 Total energy: -22.531246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.531246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.531246 (E_RNA) where: Base-Base interactions energy: -4.726 where: short stacking energy: -4.726 Base-Backbone interact. energy: -0.138 local terms energy: -17.667108 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -3.841 flat angles P-C4'-P energy: -4.182 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: 10, replica: 10 ===================================== Write number: 125 Temperature: 1.350000 Total energy: -29.969842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.969842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.969842 (E_RNA) where: Base-Base interactions energy: -9.327 where: short stacking energy: -9.327 Base-Backbone interact. energy: -0.000 local terms energy: -20.642413 where: bonds (distance) C4'-P energy: -3.723 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -4.125 flat angles P-C4'-P energy: -4.057 tors. eta vs tors. theta energy: -3.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 126 Temperature: 0.900000 Total energy: -38.667787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.667787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.667787 (E_RNA) where: Base-Base interactions energy: -15.210 where: short stacking energy: -15.210 Base-Backbone interact. energy: -0.000 local terms energy: -23.457529 where: bonds (distance) C4'-P energy: -5.196 bonds (distance) P-C4' energy: -4.783 flat angles C4'-P-C4' energy: -4.845 flat angles P-C4'-P energy: -4.224 tors. eta vs tors. theta energy: -4.409 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: 7 ===================================== Write number: 126 Temperature: 0.950000 Total energy: -33.095985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.095985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.095985 (E_RNA) where: Base-Base interactions energy: -13.050 where: short stacking energy: -13.050 Base-Backbone interact. energy: -0.000 local terms energy: -20.045703 where: bonds (distance) C4'-P energy: -4.235 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -3.391 flat angles P-C4'-P energy: -3.758 tors. eta vs tors. theta energy: -3.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 126 Temperature: 1.000000 Total energy: -27.474181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.474181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.474181 (E_RNA) where: Base-Base interactions energy: -11.403 where: short stacking energy: -11.403 Base-Backbone interact. energy: -0.003 local terms energy: -16.068199 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.227 flat angles C4'-P-C4' energy: -3.595 flat angles P-C4'-P energy: -3.650 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: 4, replica: 8 ===================================== Write number: 126 Temperature: 1.050000 Total energy: -30.686886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.686886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.686886 (E_RNA) where: Base-Base interactions energy: -10.075 where: short stacking energy: -10.075 Base-Backbone interact. energy: -0.001 local terms energy: -20.611603 where: bonds (distance) C4'-P energy: -4.637 bonds (distance) P-C4' energy: -4.994 flat angles C4'-P-C4' energy: -4.863 flat angles P-C4'-P energy: -3.963 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: 5, replica: 1 ===================================== Write number: 126 Temperature: 1.100000 Total energy: -28.533351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.533351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.533351 (E_RNA) where: Base-Base interactions energy: -10.900 where: short stacking energy: -10.900 Base-Backbone interact. energy: -0.073 local terms energy: -17.560667 where: bonds (distance) C4'-P energy: -4.600 bonds (distance) P-C4' energy: -4.452 flat angles C4'-P-C4' energy: -4.517 flat angles P-C4'-P energy: -3.027 tors. eta vs tors. theta energy: -0.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 126 Temperature: 1.150000 Total energy: -29.763843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.763843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.763843 (E_RNA) where: Base-Base interactions energy: -11.247 where: short stacking energy: -11.247 Base-Backbone interact. energy: -0.016 local terms energy: -18.500924 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -4.814 flat angles C4'-P-C4' energy: -2.284 flat angles P-C4'-P energy: -4.121 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: 2 ===================================== Write number: 126 Temperature: 1.200000 Total energy: -27.338286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.338286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.338286 (E_RNA) where: Base-Base interactions energy: -11.687 where: short stacking energy: -11.687 Base-Backbone interact. energy: -0.000 local terms energy: -15.651044 where: bonds (distance) C4'-P energy: -4.157 bonds (distance) P-C4' energy: -5.494 flat angles C4'-P-C4' energy: -1.044 flat angles P-C4'-P energy: -3.159 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: 8, replica: 3 ===================================== Write number: 126 Temperature: 1.250000 Total energy: -29.550588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.550588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.550588 (E_RNA) where: Base-Base interactions energy: -8.184 where: short stacking energy: -8.184 Base-Backbone interact. energy: -0.000 local terms energy: -21.366590 where: bonds (distance) C4'-P energy: -4.529 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -4.882 flat angles P-C4'-P energy: -2.250 tors. eta vs tors. theta energy: -3.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 126 Temperature: 1.300000 Total energy: -27.360325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.360325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.360325 (E_RNA) where: Base-Base interactions energy: -12.554 where: short stacking energy: -12.554 Base-Backbone interact. energy: -0.000 local terms energy: -14.805937 where: bonds (distance) C4'-P energy: -1.752 bonds (distance) P-C4' energy: -4.875 flat angles C4'-P-C4' energy: -4.941 flat angles P-C4'-P energy: -1.718 tors. eta vs tors. theta energy: -1.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 126 Temperature: 1.350000 Total energy: -31.178720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.178720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.178720 (E_RNA) where: Base-Base interactions energy: -11.328 where: short stacking energy: -11.328 Base-Backbone interact. energy: -0.000 local terms energy: -19.850674 where: bonds (distance) C4'-P energy: -4.580 bonds (distance) P-C4' energy: -3.482 flat angles C4'-P-C4' energy: -5.063 flat angles P-C4'-P energy: -2.149 tors. eta vs tors. theta energy: -4.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 127 Temperature: 0.900000 Total energy: -36.651264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.651264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.651264 (E_RNA) where: Base-Base interactions energy: -12.511 where: short stacking energy: -12.511 Base-Backbone interact. energy: -0.000 local terms energy: -24.140043 where: bonds (distance) C4'-P energy: -5.188 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.338 flat angles P-C4'-P energy: -3.344 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: 2, replica: 9 ===================================== Write number: 127 Temperature: 0.950000 Total energy: -36.800009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.800009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.800009 (E_RNA) where: Base-Base interactions energy: -15.858 where: short stacking energy: -15.858 Base-Backbone interact. energy: -0.015 local terms energy: -20.926946 where: bonds (distance) C4'-P energy: -4.120 bonds (distance) P-C4' energy: -5.298 flat angles C4'-P-C4' energy: -4.531 flat angles P-C4'-P energy: -3.478 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: 3, replica: 7 ===================================== Write number: 127 Temperature: 1.000000 Total energy: -33.875072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.875072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.875072 (E_RNA) where: Base-Base interactions energy: -10.584 where: short stacking energy: -10.584 Base-Backbone interact. energy: -0.000 local terms energy: -23.291468 where: bonds (distance) C4'-P energy: -3.830 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -5.162 flat angles P-C4'-P energy: -3.739 tors. eta vs tors. theta energy: -5.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 127 Temperature: 1.050000 Total energy: -35.492541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.492541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.492541 (E_RNA) where: Base-Base interactions energy: -15.500 where: short stacking energy: -15.500 Base-Backbone interact. energy: -0.000 local terms energy: -19.991912 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -3.986 flat angles P-C4'-P energy: -1.425 tors. eta vs tors. theta energy: -3.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 127 Temperature: 1.100000 Total energy: -33.046793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.046793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.046793 (E_RNA) where: Base-Base interactions energy: -10.832 where: short stacking energy: -10.832 Base-Backbone interact. energy: -0.000 local terms energy: -22.215057 where: bonds (distance) C4'-P energy: -4.049 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -5.398 flat angles P-C4'-P energy: -3.933 tors. eta vs tors. theta energy: -2.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 127 Temperature: 1.150000 Total energy: -26.996999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.996999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.996999 (E_RNA) where: Base-Base interactions energy: -6.560 where: short stacking energy: -6.560 Base-Backbone interact. energy: -0.000 local terms energy: -20.436902 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.976 flat angles P-C4'-P energy: -2.920 tors. eta vs tors. theta energy: -1.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 127 Temperature: 1.200000 Total energy: -28.250671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.250671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.250671 (E_RNA) where: Base-Base interactions energy: -11.799 where: short stacking energy: -11.799 Base-Backbone interact. energy: -0.004 local terms energy: -16.447444 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -1.694 flat angles P-C4'-P energy: -2.571 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: 3 ===================================== Write number: 127 Temperature: 1.250000 Total energy: -28.956779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.956779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.956779 (E_RNA) where: Base-Base interactions energy: -9.035 where: short stacking energy: -9.035 Base-Backbone interact. energy: -0.066 local terms energy: -19.855820 where: bonds (distance) C4'-P energy: -3.607 bonds (distance) P-C4' energy: -5.516 flat angles C4'-P-C4' energy: -4.931 flat angles P-C4'-P energy: -3.472 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: 9, replica: 10 ===================================== Write number: 127 Temperature: 1.300000 Total energy: -30.108788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.108788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.108788 (E_RNA) where: Base-Base interactions energy: -12.721 where: short stacking energy: -12.721 Base-Backbone interact. energy: -0.000 local terms energy: -17.388051 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -2.607 flat angles C4'-P-C4' energy: -4.795 flat angles P-C4'-P energy: -3.195 tors. eta vs tors. theta energy: -1.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 127 Temperature: 1.350000 Total energy: -26.837125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.837125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.837125 (E_RNA) where: Base-Base interactions energy: -7.700 where: short stacking energy: -7.700 Base-Backbone interact. energy: -0.004 local terms energy: -19.133436 where: bonds (distance) C4'-P energy: -3.809 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.745 flat angles P-C4'-P energy: -1.847 tors. eta vs tors. theta energy: -1.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 128 Temperature: 0.900000 Total energy: -36.252086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.252086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.252086 (E_RNA) where: Base-Base interactions energy: -12.754 where: short stacking energy: -12.754 Base-Backbone interact. energy: -0.000 local terms energy: -23.497802 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -3.615 flat angles P-C4'-P energy: -4.025 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: 5 ===================================== Write number: 128 Temperature: 0.950000 Total energy: -30.112589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.112589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.112589 (E_RNA) where: Base-Base interactions energy: -10.416 where: short stacking energy: -8.138 Base-Backbone interact. energy: -0.232 local terms energy: -19.464377 where: bonds (distance) C4'-P energy: -4.016 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.686 flat angles P-C4'-P energy: -4.465 tors. eta vs tors. theta energy: 0.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 128 Temperature: 1.000000 Total energy: -35.219142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.219142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.219142 (E_RNA) where: Base-Base interactions energy: -12.570 where: short stacking energy: -12.570 Base-Backbone interact. energy: -0.000 local terms energy: -22.649294 where: bonds (distance) C4'-P energy: -4.281 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -3.920 flat angles P-C4'-P energy: -3.980 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: 4, replica: 7 ===================================== Write number: 128 Temperature: 1.050000 Total energy: -30.494608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.494608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.494608 (E_RNA) where: Base-Base interactions energy: -9.443 where: short stacking energy: -9.443 Base-Backbone interact. energy: -0.000 local terms energy: -21.051963 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -4.939 flat angles C4'-P-C4' energy: -4.340 flat angles P-C4'-P energy: -3.576 tors. eta vs tors. theta energy: -3.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 128 Temperature: 1.100000 Total energy: -27.541807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.541807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.541807 (E_RNA) where: Base-Base interactions energy: -11.594 where: short stacking energy: -11.594 Base-Backbone interact. energy: -0.004 local terms energy: -15.944113 where: bonds (distance) C4'-P energy: -5.275 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -3.178 flat angles P-C4'-P energy: -1.585 tors. eta vs tors. theta energy: -0.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 128 Temperature: 1.150000 Total energy: -27.769036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.769036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.769036 (E_RNA) where: Base-Base interactions energy: -9.436 where: short stacking energy: -9.436 Base-Backbone interact. energy: -0.000 local terms energy: -18.332723 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -4.029 flat angles C4'-P-C4' energy: -3.843 flat angles P-C4'-P energy: -1.889 tors. eta vs tors. theta energy: -3.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 128 Temperature: 1.200000 Total energy: -31.635811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.635811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.635811 (E_RNA) where: Base-Base interactions energy: -11.254 where: short stacking energy: -11.254 Base-Backbone interact. energy: -0.000 local terms energy: -20.381484 where: bonds (distance) C4'-P energy: -3.871 bonds (distance) P-C4' energy: -4.212 flat angles C4'-P-C4' energy: -4.841 flat angles P-C4'-P energy: -3.419 tors. eta vs tors. theta energy: -4.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 128 Temperature: 1.250000 Total energy: -25.366467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.366467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.366467 (E_RNA) where: Base-Base interactions energy: -9.859 where: short stacking energy: -9.859 Base-Backbone interact. energy: -0.038 local terms energy: -15.469518 where: bonds (distance) C4'-P energy: -5.275 bonds (distance) P-C4' energy: -1.884 flat angles C4'-P-C4' energy: -3.731 flat angles P-C4'-P energy: -4.132 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: 9, replica: 6 ===================================== Write number: 128 Temperature: 1.300000 Total energy: -31.319989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.319989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.319989 (E_RNA) where: Base-Base interactions energy: -10.120 where: short stacking energy: -10.120 Base-Backbone interact. energy: -0.004 local terms energy: -21.195911 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.043 flat angles C4'-P-C4' energy: -2.137 flat angles P-C4'-P energy: -4.351 tors. eta vs tors. theta energy: -4.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 128 Temperature: 1.350000 Total energy: -24.530212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.530212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.530212 (E_RNA) where: Base-Base interactions energy: -7.185 where: short stacking energy: -7.185 Base-Backbone interact. energy: -0.000 local terms energy: -17.345568 where: bonds (distance) C4'-P energy: -4.529 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -4.047 flat angles P-C4'-P energy: -0.984 tors. eta vs tors. theta energy: -2.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 129 Temperature: 0.900000 Total energy: -36.434214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.434214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.434214 (E_RNA) where: Base-Base interactions energy: -16.083 where: short stacking energy: -16.083 Base-Backbone interact. energy: -0.000 local terms energy: -20.351400 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -4.385 flat angles P-C4'-P energy: -1.896 tors. eta vs tors. theta energy: -3.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 129 Temperature: 0.950000 Total energy: -36.919571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.919571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.919571 (E_RNA) where: Base-Base interactions energy: -14.640 where: short stacking energy: -14.640 Base-Backbone interact. energy: -0.000 local terms energy: -22.279120 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -2.853 flat angles C4'-P-C4' energy: -5.539 flat angles P-C4'-P energy: -4.055 tors. eta vs tors. theta energy: -4.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 129 Temperature: 1.000000 Total energy: -34.951974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.951974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.951974 (E_RNA) where: Base-Base interactions energy: -14.737 where: short stacking energy: -14.737 Base-Backbone interact. energy: -0.004 local terms energy: -20.211778 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.047 flat angles P-C4'-P energy: -3.479 tors. eta vs tors. theta energy: -1.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 129 Temperature: 1.050000 Total energy: -34.224987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.224987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.224987 (E_RNA) where: Base-Base interactions energy: -11.565 where: short stacking energy: -11.565 Base-Backbone interact. energy: -0.000 local terms energy: -22.660347 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -5.348 flat angles P-C4'-P energy: -3.428 tors. eta vs tors. theta energy: -3.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 129 Temperature: 1.100000 Total energy: -31.189183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.189183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.189183 (E_RNA) where: Base-Base interactions energy: -10.114 where: short stacking energy: -10.114 Base-Backbone interact. energy: -0.001 local terms energy: -21.074269 where: bonds (distance) C4'-P energy: -4.361 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -4.295 flat angles P-C4'-P energy: -4.693 tors. eta vs tors. theta energy: -2.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 129 Temperature: 1.150000 Total energy: -29.939436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.939436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.939436 (E_RNA) where: Base-Base interactions energy: -7.940 where: short stacking energy: -7.940 Base-Backbone interact. energy: -0.001 local terms energy: -21.998552 where: bonds (distance) C4'-P energy: -4.235 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -4.917 flat angles P-C4'-P energy: -4.454 tors. eta vs tors. theta energy: -2.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 129 Temperature: 1.200000 Total energy: -26.855512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.855512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.855512 (E_RNA) where: Base-Base interactions energy: -8.438 where: short stacking energy: -8.438 Base-Backbone interact. energy: -0.135 local terms energy: -18.282178 where: bonds (distance) C4'-P energy: -4.663 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.356 flat angles P-C4'-P energy: -3.798 tors. eta vs tors. theta energy: 0.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 129 Temperature: 1.250000 Total energy: -28.944138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.944138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.944138 (E_RNA) where: Base-Base interactions energy: -10.268 where: short stacking energy: -10.268 Base-Backbone interact. energy: -0.001 local terms energy: -18.675248 where: bonds (distance) C4'-P energy: -2.833 bonds (distance) P-C4' energy: -4.935 flat angles C4'-P-C4' energy: -5.389 flat angles P-C4'-P energy: -3.287 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: 9, replica: 3 ===================================== Write number: 129 Temperature: 1.300000 Total energy: -30.680105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.680105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.680105 (E_RNA) where: Base-Base interactions energy: -9.916 where: short stacking energy: -9.916 Base-Backbone interact. energy: -0.006 local terms energy: -20.758092 where: bonds (distance) C4'-P energy: -3.835 bonds (distance) P-C4' energy: -5.783 flat angles C4'-P-C4' energy: -4.836 flat angles P-C4'-P energy: -1.476 tors. eta vs tors. theta energy: -4.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 129 Temperature: 1.350000 Total energy: -28.392018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.392018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.392018 (E_RNA) where: Base-Base interactions energy: -12.621 where: short stacking energy: -12.621 Base-Backbone interact. energy: -0.000 local terms energy: -15.770897 where: bonds (distance) C4'-P energy: -4.207 bonds (distance) P-C4' energy: -3.959 flat angles C4'-P-C4' energy: -1.834 flat angles P-C4'-P energy: -1.992 tors. eta vs tors. theta energy: -3.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 130 Temperature: 0.900000 Total energy: -39.230261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.230261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.230261 (E_RNA) where: Base-Base interactions energy: -16.644 where: short stacking energy: -16.644 Base-Backbone interact. energy: -0.000 local terms energy: -22.586465 where: bonds (distance) C4'-P energy: -4.609 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.111 flat angles P-C4'-P energy: -2.086 tors. eta vs tors. theta energy: -4.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 130 Temperature: 0.950000 Total energy: -32.379453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.379453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.379453 (E_RNA) where: Base-Base interactions energy: -11.289 where: short stacking energy: -11.319 Base-Backbone interact. energy: -0.001 local terms energy: -21.089100 where: bonds (distance) C4'-P energy: -4.795 bonds (distance) P-C4' energy: -5.522 flat angles C4'-P-C4' energy: -5.132 flat angles P-C4'-P energy: -2.355 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: 3, replica: 5 ===================================== Write number: 130 Temperature: 1.000000 Total energy: -33.673464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.673464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.673464 (E_RNA) where: Base-Base interactions energy: -12.200 where: short stacking energy: -12.243 Base-Backbone interact. energy: -0.161 local terms energy: -21.313178 where: bonds (distance) C4'-P energy: -5.159 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -4.750 flat angles P-C4'-P energy: -0.755 tors. eta vs tors. theta energy: -4.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 130 Temperature: 1.050000 Total energy: -29.987860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.987860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.987860 (E_RNA) where: Base-Base interactions energy: -11.001 where: short stacking energy: -11.001 Base-Backbone interact. energy: -0.068 local terms energy: -18.918200 where: bonds (distance) C4'-P energy: -4.865 bonds (distance) P-C4' energy: -4.642 flat angles C4'-P-C4' energy: -4.583 flat angles P-C4'-P energy: -4.602 tors. eta vs tors. theta energy: -0.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 130 Temperature: 1.100000 Total energy: -26.521506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.521506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.521506 (E_RNA) where: Base-Base interactions energy: -9.056 where: short stacking energy: -9.056 Base-Backbone interact. energy: -0.000 local terms energy: -17.465338 where: bonds (distance) C4'-P energy: -3.814 bonds (distance) P-C4' energy: -4.839 flat angles C4'-P-C4' energy: -4.778 flat angles P-C4'-P energy: -3.570 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: 6, replica: 2 ===================================== Write number: 130 Temperature: 1.150000 Total energy: -28.898773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.898773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.898773 (E_RNA) where: Base-Base interactions energy: -10.603 where: short stacking energy: -10.603 Base-Backbone interact. energy: -0.083 local terms energy: -18.212252 where: bonds (distance) C4'-P energy: -4.547 bonds (distance) P-C4' energy: -5.522 flat angles C4'-P-C4' energy: -4.117 flat angles P-C4'-P energy: -1.894 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: 7, replica: 6 ===================================== Write number: 130 Temperature: 1.200000 Total energy: -26.315267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.315267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.315267 (E_RNA) where: Base-Base interactions energy: -6.619 where: short stacking energy: -6.619 Base-Backbone interact. energy: -0.000 local terms energy: -19.696120 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -4.678 flat angles C4'-P-C4' energy: -4.922 flat angles P-C4'-P energy: -3.898 tors. eta vs tors. theta energy: -1.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 130 Temperature: 1.250000 Total energy: -23.953940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.953940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.953940 (E_RNA) where: Base-Base interactions energy: -3.977 where: short stacking energy: -3.977 Base-Backbone interact. energy: -0.481 local terms energy: -19.495489 where: bonds (distance) C4'-P energy: -5.159 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -3.976 flat angles P-C4'-P energy: -4.431 tors. eta vs tors. theta energy: -0.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 130 Temperature: 1.300000 Total energy: -30.022798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.022798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.022798 (E_RNA) where: Base-Base interactions energy: -10.425 where: short stacking energy: -10.425 Base-Backbone interact. energy: -0.000 local terms energy: -19.597720 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -4.190 flat angles C4'-P-C4' energy: -5.452 flat angles P-C4'-P energy: -3.742 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: 10, replica: 10 ===================================== Write number: 130 Temperature: 1.350000 Total energy: -26.145229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.145229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.145229 (E_RNA) where: Base-Base interactions energy: -11.357 where: short stacking energy: -11.357 Base-Backbone interact. energy: -0.000 local terms energy: -14.788503 where: bonds (distance) C4'-P energy: -4.501 bonds (distance) P-C4' energy: -4.832 flat angles C4'-P-C4' energy: -3.060 flat angles P-C4'-P energy: 0.627 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: 1, replica: 8 ===================================== Write number: 131 Temperature: 0.900000 Total energy: -38.085820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.085820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.085820 (E_RNA) where: Base-Base interactions energy: -14.516 where: short stacking energy: -14.516 Base-Backbone interact. energy: -0.001 local terms energy: -23.568448 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -5.466 flat angles C4'-P-C4' energy: -4.729 flat angles P-C4'-P energy: -4.201 tors. eta vs tors. theta energy: -4.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 131 Temperature: 0.950000 Total energy: -30.452660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.452660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.452660 (E_RNA) where: Base-Base interactions energy: -10.390 where: short stacking energy: -10.418 Base-Backbone interact. energy: 0.530 local terms energy: -20.592663 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -4.001 flat angles C4'-P-C4' energy: -4.632 flat angles P-C4'-P energy: -4.017 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: 9 ===================================== Write number: 131 Temperature: 1.000000 Total energy: -35.748407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.748407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.748407 (E_RNA) where: Base-Base interactions energy: -14.712 where: short stacking energy: -14.712 Base-Backbone interact. energy: -0.002 local terms energy: -21.034196 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -5.344 flat angles P-C4'-P energy: -2.457 tors. eta vs tors. theta energy: -3.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 131 Temperature: 1.050000 Total energy: -29.929394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.929394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.929394 (E_RNA) where: Base-Base interactions energy: -8.597 where: short stacking energy: -8.597 Base-Backbone interact. energy: -0.034 local terms energy: -21.298394 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -5.632 flat angles P-C4'-P energy: -3.569 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: 5, replica: 7 ===================================== Write number: 131 Temperature: 1.100000 Total energy: -35.079590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.079590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.079590 (E_RNA) where: Base-Base interactions energy: -13.849 where: short stacking energy: -13.849 Base-Backbone interact. energy: -0.000 local terms energy: -21.230810 where: bonds (distance) C4'-P energy: -3.702 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.040 flat angles P-C4'-P energy: -3.921 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: 6, replica: 6 ===================================== Write number: 131 Temperature: 1.150000 Total energy: -27.791027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.791027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.791027 (E_RNA) where: Base-Base interactions energy: -9.542 where: short stacking energy: -9.542 Base-Backbone interact. energy: -0.000 local terms energy: -18.249316 where: bonds (distance) C4'-P energy: -4.547 bonds (distance) P-C4' energy: -3.768 flat angles C4'-P-C4' energy: -3.863 flat angles P-C4'-P energy: -2.931 tors. eta vs tors. theta energy: -3.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 131 Temperature: 1.200000 Total energy: -30.321358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.321358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.321358 (E_RNA) where: Base-Base interactions energy: -7.686 where: short stacking energy: -7.686 Base-Backbone interact. energy: -0.000 local terms energy: -22.635730 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.463 flat angles P-C4'-P energy: -3.577 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: 8, replica: 3 ===================================== Write number: 131 Temperature: 1.250000 Total energy: -25.587830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.587830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.587830 (E_RNA) where: Base-Base interactions energy: -7.756 where: short stacking energy: -7.756 Base-Backbone interact. energy: -0.000 local terms energy: -17.832051 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.004 flat angles P-C4'-P energy: -2.419 tors. eta vs tors. theta energy: -0.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 131 Temperature: 1.300000 Total energy: -26.351825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.351825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.351825 (E_RNA) where: Base-Base interactions energy: -6.255 where: short stacking energy: -6.255 Base-Backbone interact. energy: -0.094 local terms energy: -20.003253 where: bonds (distance) C4'-P energy: -4.033 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -3.426 flat angles P-C4'-P energy: -4.502 tors. eta vs tors. theta energy: -2.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 131 Temperature: 1.350000 Total energy: -30.430342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.430342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.430342 (E_RNA) where: Base-Base interactions energy: -10.150 where: short stacking energy: -10.150 Base-Backbone interact. energy: -0.000 local terms energy: -20.280123 where: bonds (distance) C4'-P energy: -3.197 bonds (distance) P-C4' energy: -3.212 flat angles C4'-P-C4' energy: -4.685 flat angles P-C4'-P energy: -3.523 tors. eta vs tors. theta energy: -5.663 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: 5 ===================================== Write number: 132 Temperature: 0.900000 Total energy: -28.792251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.792251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.792251 (E_RNA) where: Base-Base interactions energy: -8.424 where: short stacking energy: -8.424 Base-Backbone interact. energy: -0.081 local terms energy: -20.287747 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -5.494 flat angles C4'-P-C4' energy: -4.957 flat angles P-C4'-P energy: -4.364 tors. eta vs tors. theta energy: -0.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 132 Temperature: 0.950000 Total energy: -36.260570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.260570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.260570 (E_RNA) where: Base-Base interactions energy: -15.240 where: short stacking energy: -15.240 Base-Backbone interact. energy: -0.058 local terms energy: -20.962708 where: bonds (distance) C4'-P energy: -4.297 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -3.782 flat angles P-C4'-P energy: -3.268 tors. eta vs tors. theta energy: -3.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 132 Temperature: 1.000000 Total energy: -31.009823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.009823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.009823 (E_RNA) where: Base-Base interactions energy: -11.310 where: short stacking energy: -6.149 Base-Backbone interact. energy: -0.144 local terms energy: -19.555697 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -3.641 flat angles C4'-P-C4' energy: -5.904 flat angles P-C4'-P energy: -4.378 tors. eta vs tors. theta energy: -0.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 132 Temperature: 1.050000 Total energy: -31.825512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.825512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.825512 (E_RNA) where: Base-Base interactions energy: -12.687 where: short stacking energy: -12.687 Base-Backbone interact. energy: -0.002 local terms energy: -19.136237 where: bonds (distance) C4'-P energy: -4.199 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -3.242 flat angles P-C4'-P energy: -4.094 tors. eta vs tors. theta energy: -1.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 132 Temperature: 1.100000 Total energy: -30.237916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.237916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.237916 (E_RNA) where: Base-Base interactions energy: -10.584 where: short stacking energy: -10.584 Base-Backbone interact. energy: 0.056 local terms energy: -19.709788 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -4.706 flat angles C4'-P-C4' energy: -4.847 flat angles P-C4'-P energy: -3.922 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: 6, replica: 6 ===================================== Write number: 132 Temperature: 1.150000 Total energy: -28.926641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.926641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.926641 (E_RNA) where: Base-Base interactions energy: -9.896 where: short stacking energy: -9.896 Base-Backbone interact. energy: -0.019 local terms energy: -19.011280 where: bonds (distance) C4'-P energy: -3.995 bonds (distance) P-C4' energy: -4.026 flat angles C4'-P-C4' energy: -4.254 flat angles P-C4'-P energy: -4.074 tors. eta vs tors. theta energy: -2.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 132 Temperature: 1.200000 Total energy: -29.262934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.262934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.262934 (E_RNA) where: Base-Base interactions energy: -11.082 where: short stacking energy: -11.082 Base-Backbone interact. energy: -0.007 local terms energy: -18.173741 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -3.934 flat angles C4'-P-C4' energy: -4.801 flat angles P-C4'-P energy: -2.007 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: 8, replica: 2 ===================================== Write number: 132 Temperature: 1.250000 Total energy: -26.586839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.586839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.586839 (E_RNA) where: Base-Base interactions energy: -8.843 where: short stacking energy: -8.843 Base-Backbone interact. energy: -0.000 local terms energy: -17.744211 where: bonds (distance) C4'-P energy: -1.834 bonds (distance) P-C4' energy: -5.473 flat angles C4'-P-C4' energy: -2.487 flat angles P-C4'-P energy: -4.216 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: 9, replica: 1 ===================================== Write number: 132 Temperature: 1.300000 Total energy: -26.729049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.729049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.729049 (E_RNA) where: Base-Base interactions energy: -7.901 where: short stacking energy: -7.901 Base-Backbone interact. energy: -0.115 local terms energy: -18.712940 where: bonds (distance) C4'-P energy: -5.283 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -4.375 flat angles P-C4'-P energy: -3.910 tors. eta vs tors. theta energy: 0.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 132 Temperature: 1.350000 Total energy: -23.632110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.632110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.632110 (E_RNA) where: Base-Base interactions energy: -5.487 where: short stacking energy: -5.487 Base-Backbone interact. energy: -0.021 local terms energy: -18.124504 where: bonds (distance) C4'-P energy: -4.140 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -2.976 flat angles P-C4'-P energy: -2.656 tors. eta vs tors. theta energy: -3.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 133 Temperature: 0.900000 Total energy: -36.953557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.953557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.953557 (E_RNA) where: Base-Base interactions energy: -13.983 where: short stacking energy: -10.064 Base-Backbone interact. energy: -0.000 local terms energy: -22.970167 where: bonds (distance) C4'-P energy: -4.145 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -5.260 flat angles P-C4'-P energy: -3.799 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: 4 ===================================== Write number: 133 Temperature: 0.950000 Total energy: -34.462275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.462275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.462275 (E_RNA) where: Base-Base interactions energy: -11.271 where: short stacking energy: -11.271 Base-Backbone interact. energy: -0.000 local terms energy: -23.190880 where: bonds (distance) C4'-P energy: -4.753 bonds (distance) P-C4' energy: -5.762 flat angles C4'-P-C4' energy: -5.435 flat angles P-C4'-P energy: -3.337 tors. eta vs tors. theta energy: -3.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 133 Temperature: 1.000000 Total energy: -39.072251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.072251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.072251 (E_RNA) where: Base-Base interactions energy: -15.171 where: short stacking energy: -15.171 Base-Backbone interact. energy: -0.000 local terms energy: -23.901336 where: bonds (distance) C4'-P energy: -4.609 bonds (distance) P-C4' energy: -4.969 flat angles C4'-P-C4' energy: -4.817 flat angles P-C4'-P energy: -4.293 tors. eta vs tors. theta energy: -5.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 133 Temperature: 1.050000 Total energy: -31.815175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.815175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.815175 (E_RNA) where: Base-Base interactions energy: -10.737 where: short stacking energy: -10.737 Base-Backbone interact. energy: -0.000 local terms energy: -21.077951 where: bonds (distance) C4'-P energy: -4.501 bonds (distance) P-C4' energy: -5.311 flat angles C4'-P-C4' energy: -5.480 flat angles P-C4'-P energy: -3.753 tors. eta vs tors. theta energy: -2.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 133 Temperature: 1.100000 Total energy: -34.375652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.375652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.375652 (E_RNA) where: Base-Base interactions energy: -12.046 where: short stacking energy: -12.046 Base-Backbone interact. energy: -0.000 local terms energy: -22.330131 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -4.706 flat angles C4'-P-C4' energy: -5.343 flat angles P-C4'-P energy: -3.848 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: 6, replica: 3 ===================================== Write number: 133 Temperature: 1.150000 Total energy: -30.635994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.635994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.635994 (E_RNA) where: Base-Base interactions energy: -10.394 where: short stacking energy: -10.394 Base-Backbone interact. energy: -0.000 local terms energy: -20.241730 where: bonds (distance) C4'-P energy: -4.235 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -3.577 flat angles P-C4'-P energy: -3.612 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: 7, replica: 6 ===================================== Write number: 133 Temperature: 1.200000 Total energy: -30.400239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.400239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.400239 (E_RNA) where: Base-Base interactions energy: -14.755 where: short stacking energy: -14.755 Base-Backbone interact. energy: -0.031 local terms energy: -15.614061 where: bonds (distance) C4'-P energy: -4.111 bonds (distance) P-C4' energy: -5.100 flat angles C4'-P-C4' energy: -4.471 flat angles P-C4'-P energy: -0.226 tors. eta vs tors. theta energy: -1.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 133 Temperature: 1.250000 Total energy: -24.813365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.813365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.813365 (E_RNA) where: Base-Base interactions energy: -5.219 where: short stacking energy: -5.219 Base-Backbone interact. energy: -0.002 local terms energy: -19.592025 where: bonds (distance) C4'-P energy: -5.498 bonds (distance) P-C4' energy: -4.427 flat angles C4'-P-C4' energy: -4.802 flat angles P-C4'-P energy: -3.435 tors. eta vs tors. theta energy: -1.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 133 Temperature: 1.300000 Total energy: -26.771739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.771739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.771739 (E_RNA) where: Base-Base interactions energy: -6.906 where: short stacking energy: -6.906 Base-Backbone interact. energy: -0.000 local terms energy: -19.865375 where: bonds (distance) C4'-P energy: -4.273 bonds (distance) P-C4' energy: -5.333 flat angles C4'-P-C4' energy: -2.319 flat angles P-C4'-P energy: -4.159 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: 10, replica: 10 ===================================== Write number: 133 Temperature: 1.350000 Total energy: -26.958015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.958015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.958015 (E_RNA) where: Base-Base interactions energy: -4.967 where: short stacking energy: -4.967 Base-Backbone interact. energy: -0.001 local terms energy: -21.990121 where: bonds (distance) C4'-P energy: -4.538 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -4.180 flat angles P-C4'-P energy: -3.543 tors. eta vs tors. theta energy: -4.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 134 Temperature: 0.900000 Total energy: -38.793074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.793074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.793074 (E_RNA) where: Base-Base interactions energy: -15.453 where: short stacking energy: -15.453 Base-Backbone interact. energy: -0.005 local terms energy: -23.335077 where: bonds (distance) C4'-P energy: -4.335 bonds (distance) P-C4' energy: -5.516 flat angles C4'-P-C4' energy: -5.662 flat angles P-C4'-P energy: -4.354 tors. eta vs tors. theta energy: -3.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 134 Temperature: 0.950000 Total energy: -40.069145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.069145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.069145 (E_RNA) where: Base-Base interactions energy: -15.786 where: short stacking energy: -15.786 Base-Backbone interact. energy: -0.000 local terms energy: -24.283031 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -4.706 flat angles C4'-P-C4' energy: -5.641 flat angles P-C4'-P energy: -3.799 tors. eta vs tors. theta energy: -4.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 134 Temperature: 1.000000 Total energy: -29.608241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.608241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.608241 (E_RNA) where: Base-Base interactions energy: -11.450 where: short stacking energy: -11.450 Base-Backbone interact. energy: -0.006 local terms energy: -18.151667 where: bonds (distance) C4'-P energy: -3.676 bonds (distance) P-C4' energy: -4.839 flat angles C4'-P-C4' energy: -4.553 flat angles P-C4'-P energy: -3.014 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: 4, replica: 8 ===================================== Write number: 134 Temperature: 1.050000 Total energy: -34.638648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.638648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.638648 (E_RNA) where: Base-Base interactions energy: -13.246 where: short stacking energy: -13.246 Base-Backbone interact. energy: -0.000 local terms energy: -21.392801 where: bonds (distance) C4'-P energy: -4.219 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -5.071 flat angles P-C4'-P energy: -2.744 tors. eta vs tors. theta energy: -3.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 134 Temperature: 1.100000 Total energy: -28.489600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.489600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.489600 (E_RNA) where: Base-Base interactions energy: -10.775 where: short stacking energy: -10.775 Base-Backbone interact. energy: -0.006 local terms energy: -17.708557 where: bonds (distance) C4'-P energy: -1.380 bonds (distance) P-C4' energy: -5.004 flat angles C4'-P-C4' energy: -4.986 flat angles P-C4'-P energy: -3.241 tors. eta vs tors. theta energy: -3.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 134 Temperature: 1.150000 Total energy: -25.480405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.480405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.480405 (E_RNA) where: Base-Base interactions energy: -10.102 where: short stacking energy: -10.102 Base-Backbone interact. energy: -0.041 local terms energy: -15.337186 where: bonds (distance) C4'-P energy: -3.747 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: 0.303 flat angles P-C4'-P energy: -4.217 tors. eta vs tors. theta energy: -2.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 134 Temperature: 1.200000 Total energy: -30.358792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.358792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.358792 (E_RNA) where: Base-Base interactions energy: -8.309 where: short stacking energy: -8.309 Base-Backbone interact. energy: -0.000 local terms energy: -22.049572 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -3.238 flat angles P-C4'-P energy: -3.696 tors. eta vs tors. theta energy: -4.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 134 Temperature: 1.250000 Total energy: -29.849345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.849345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.849345 (E_RNA) where: Base-Base interactions energy: -9.204 where: short stacking energy: -9.204 Base-Backbone interact. energy: -0.000 local terms energy: -20.644869 where: bonds (distance) C4'-P energy: -4.567 bonds (distance) P-C4' energy: -4.230 flat angles C4'-P-C4' energy: -4.602 flat angles P-C4'-P energy: -2.588 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: 9, replica: 10 ===================================== Write number: 134 Temperature: 1.300000 Total energy: -26.866328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.866328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.866328 (E_RNA) where: Base-Base interactions energy: -8.696 where: short stacking energy: -8.696 Base-Backbone interact. energy: -0.024 local terms energy: -18.146163 where: bonds (distance) C4'-P energy: -4.637 bonds (distance) P-C4' energy: -5.467 flat angles C4'-P-C4' energy: -5.294 flat angles P-C4'-P energy: -4.195 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: 10, replica: 2 ===================================== Write number: 134 Temperature: 1.350000 Total energy: -23.403783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.403783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.403783 (E_RNA) where: Base-Base interactions energy: -4.064 where: short stacking energy: -4.064 Base-Backbone interact. energy: -0.004 local terms energy: -19.335547 where: bonds (distance) C4'-P energy: -5.159 bonds (distance) P-C4' energy: -5.305 flat angles C4'-P-C4' energy: -3.710 flat angles P-C4'-P energy: -3.422 tors. eta vs tors. theta energy: -1.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 135 Temperature: 0.900000 Total energy: -37.965473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.965473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.965473 (E_RNA) where: Base-Base interactions energy: -15.286 where: short stacking energy: -15.286 Base-Backbone interact. energy: -0.035 local terms energy: -22.644809 where: bonds (distance) C4'-P energy: -4.235 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.381 flat angles P-C4'-P energy: -2.455 tors. eta vs tors. theta energy: -4.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 135 Temperature: 0.950000 Total energy: -32.554222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.554222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.554222 (E_RNA) where: Base-Base interactions energy: -14.073 where: short stacking energy: -14.073 Base-Backbone interact. energy: -0.000 local terms energy: -18.481340 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.072 flat angles C4'-P-C4' energy: -5.294 flat angles P-C4'-P energy: -1.232 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: 3, replica: 5 ===================================== Write number: 135 Temperature: 1.000000 Total energy: -30.390746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.390746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.390746 (E_RNA) where: Base-Base interactions energy: -13.432 where: short stacking energy: -13.432 Base-Backbone interact. energy: -0.000 local terms energy: -16.959000 where: bonds (distance) C4'-P energy: -2.853 bonds (distance) P-C4' energy: -5.494 flat angles C4'-P-C4' energy: -4.145 flat angles P-C4'-P energy: -3.063 tors. eta vs tors. theta energy: -1.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 135 Temperature: 1.050000 Total energy: -29.727858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.727858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.727858 (E_RNA) where: Base-Base interactions energy: -10.992 where: short stacking energy: -10.992 Base-Backbone interact. energy: -0.127 local terms energy: -18.609370 where: bonds (distance) C4'-P energy: -4.744 bonds (distance) P-C4' energy: -4.410 flat angles C4'-P-C4' energy: -3.593 flat angles P-C4'-P energy: -4.711 tors. eta vs tors. theta energy: -1.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 135 Temperature: 1.100000 Total energy: -32.493556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.493556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.493556 (E_RNA) where: Base-Base interactions energy: -12.484 where: short stacking energy: -12.484 Base-Backbone interact. energy: -0.000 local terms energy: -20.009043 where: bonds (distance) C4'-P energy: -4.778 bonds (distance) P-C4' energy: -5.065 flat angles C4'-P-C4' energy: -5.259 flat angles P-C4'-P energy: -2.170 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: 6, replica: 6 ===================================== Write number: 135 Temperature: 1.150000 Total energy: -31.093948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.093948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.093948 (E_RNA) where: Base-Base interactions energy: -10.054 where: short stacking energy: -10.054 Base-Backbone interact. energy: -0.008 local terms energy: -21.031727 where: bonds (distance) C4'-P energy: -3.756 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -5.309 flat angles P-C4'-P energy: -3.821 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: 7, replica: 9 ===================================== Write number: 135 Temperature: 1.200000 Total energy: -26.045187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.045187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.045187 (E_RNA) where: Base-Base interactions energy: -7.661 where: short stacking energy: -7.661 Base-Backbone interact. energy: -0.015 local terms energy: -18.368918 where: bonds (distance) C4'-P energy: -3.826 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -3.159 flat angles P-C4'-P energy: -3.651 tors. eta vs tors. theta energy: -1.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 135 Temperature: 1.250000 Total energy: -25.886675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.886675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.886675 (E_RNA) where: Base-Base interactions energy: -9.778 where: short stacking energy: -9.778 Base-Backbone interact. energy: -0.002 local terms energy: -16.107215 where: bonds (distance) C4'-P energy: -2.744 bonds (distance) P-C4' energy: -4.240 flat angles C4'-P-C4' energy: -5.141 flat angles P-C4'-P energy: -1.544 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: 1 ===================================== Write number: 135 Temperature: 1.300000 Total energy: -31.470023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.470023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.470023 (E_RNA) where: Base-Base interactions energy: -8.459 where: short stacking energy: -8.459 Base-Backbone interact. energy: -0.000 local terms energy: -23.010783 where: bonds (distance) C4'-P energy: -3.668 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.170 flat angles P-C4'-P energy: -3.678 tors. eta vs tors. theta energy: -5.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 135 Temperature: 1.350000 Total energy: -24.418776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.418776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.418776 (E_RNA) where: Base-Base interactions energy: -7.295 where: short stacking energy: -6.527 Base-Backbone interact. energy: 0.163 local terms energy: -17.286454 where: bonds (distance) C4'-P energy: -4.389 bonds (distance) P-C4' energy: -4.942 flat angles C4'-P-C4' energy: -4.456 flat angles P-C4'-P energy: -2.339 tors. eta vs tors. theta energy: -1.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 136 Temperature: 0.900000 Total energy: -35.658332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.658332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.658332 (E_RNA) where: Base-Base interactions energy: -11.763 where: short stacking energy: -11.763 Base-Backbone interact. energy: 0.007 local terms energy: -23.902954 where: bonds (distance) C4'-P energy: -5.275 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.067 flat angles P-C4'-P energy: -4.221 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: 2, replica: 4 ===================================== Write number: 136 Temperature: 0.950000 Total energy: -30.875124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.875124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.875124 (E_RNA) where: Base-Base interactions energy: -12.945 where: short stacking energy: -12.945 Base-Backbone interact. energy: -0.004 local terms energy: -17.925809 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -4.973 flat angles C4'-P-C4' energy: -4.663 flat angles P-C4'-P energy: -2.029 tors. eta vs tors. theta energy: -1.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 136 Temperature: 1.000000 Total energy: -26.908400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.908400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.908400 (E_RNA) where: Base-Base interactions energy: -8.477 where: short stacking energy: -8.477 Base-Backbone interact. energy: -0.000 local terms energy: -18.430855 where: bonds (distance) C4'-P energy: -3.644 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -3.740 flat angles P-C4'-P energy: -2.726 tors. eta vs tors. theta energy: -2.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 136 Temperature: 1.050000 Total energy: -37.843664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.843664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.843664 (E_RNA) where: Base-Base interactions energy: -15.444 where: short stacking energy: -15.444 Base-Backbone interact. energy: -0.000 local terms energy: -22.399906 where: bonds (distance) C4'-P energy: -3.925 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.396 flat angles P-C4'-P energy: -3.641 tors. eta vs tors. theta energy: -4.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 136 Temperature: 1.100000 Total energy: -31.384770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.384770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.384770 (E_RNA) where: Base-Base interactions energy: -12.335 where: short stacking energy: -12.335 Base-Backbone interact. energy: -0.048 local terms energy: -19.001418 where: bonds (distance) C4'-P energy: -3.305 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -4.454 flat angles P-C4'-P energy: -3.529 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: 6, replica: 8 ===================================== Write number: 136 Temperature: 1.150000 Total energy: -30.667875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.667875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.667875 (E_RNA) where: Base-Base interactions energy: -10.397 where: short stacking energy: -10.397 Base-Backbone interact. energy: -0.000 local terms energy: -20.270388 where: bonds (distance) C4'-P energy: -4.397 bonds (distance) P-C4' energy: -5.724 flat angles C4'-P-C4' energy: -2.358 flat angles P-C4'-P energy: -3.714 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: 7, replica: 10 ===================================== Write number: 136 Temperature: 1.200000 Total energy: -26.413872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.413872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.413872 (E_RNA) where: Base-Base interactions energy: -7.164 where: short stacking energy: -7.164 Base-Backbone interact. energy: -0.000 local terms energy: -19.250257 where: bonds (distance) C4'-P energy: -2.286 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.938 flat angles P-C4'-P energy: -4.560 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: 8, replica: 9 ===================================== Write number: 136 Temperature: 1.250000 Total energy: -28.373736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.373736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.373736 (E_RNA) where: Base-Base interactions energy: -8.393 where: short stacking energy: -8.393 Base-Backbone interact. energy: -0.185 local terms energy: -19.795654 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -3.814 flat angles P-C4'-P energy: -4.106 tors. eta vs tors. theta energy: -0.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 136 Temperature: 1.300000 Total energy: -24.247537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.247537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.247537 (E_RNA) where: Base-Base interactions energy: -4.110 where: short stacking energy: -4.110 Base-Backbone interact. energy: -0.099 local terms energy: -20.038226 where: bonds (distance) C4'-P energy: -5.205 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -5.366 flat angles P-C4'-P energy: -2.477 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: 10, replica: 1 ===================================== Write number: 136 Temperature: 1.350000 Total energy: -23.967652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.967652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.967652 (E_RNA) where: Base-Base interactions energy: -7.292 where: short stacking energy: -7.292 Base-Backbone interact. energy: -0.004 local terms energy: -16.672192 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -4.085 flat angles C4'-P-C4' energy: -3.384 flat angles P-C4'-P energy: -4.203 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: 7 ===================================== Write number: 137 Temperature: 0.900000 Total energy: -38.272923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.272923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.272923 (E_RNA) where: Base-Base interactions energy: -16.255 where: short stacking energy: -16.255 Base-Backbone interact. energy: -0.009 local terms energy: -22.008904 where: bonds (distance) C4'-P energy: -4.377 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -5.100 flat angles P-C4'-P energy: -4.143 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: 3 ===================================== Write number: 137 Temperature: 0.950000 Total energy: -34.667589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.667589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.667589 (E_RNA) where: Base-Base interactions energy: -12.891 where: short stacking energy: -12.891 Base-Backbone interact. energy: -0.007 local terms energy: -21.769326 where: bonds (distance) C4'-P energy: -4.663 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.264 flat angles P-C4'-P energy: -3.295 tors. eta vs tors. theta energy: -3.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 137 Temperature: 1.000000 Total energy: -31.399163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.399163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.399163 (E_RNA) where: Base-Base interactions energy: -12.609 where: short stacking energy: -12.609 Base-Backbone interact. energy: -0.000 local terms energy: -18.789756 where: bonds (distance) C4'-P energy: -3.006 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -2.409 flat angles P-C4'-P energy: -3.796 tors. eta vs tors. theta energy: -4.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 137 Temperature: 1.050000 Total energy: -29.429432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.429432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.429432 (E_RNA) where: Base-Base interactions energy: -8.302 where: short stacking energy: -8.302 Base-Backbone interact. energy: -0.000 local terms energy: -21.126935 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -3.620 flat angles P-C4'-P energy: -3.775 tors. eta vs tors. theta energy: -2.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 137 Temperature: 1.100000 Total energy: -24.552146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.552146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.552146 (E_RNA) where: Base-Base interactions energy: -7.314 where: short stacking energy: -7.314 Base-Backbone interact. energy: -0.001 local terms energy: -17.237153 where: bonds (distance) C4'-P energy: -2.521 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -5.251 flat angles P-C4'-P energy: -3.860 tors. eta vs tors. theta energy: -0.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 137 Temperature: 1.150000 Total energy: -30.428658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.428658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.428658 (E_RNA) where: Base-Base interactions energy: -10.262 where: short stacking energy: -10.262 Base-Backbone interact. energy: -0.000 local terms energy: -20.166262 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -5.225 flat angles P-C4'-P energy: -2.559 tors. eta vs tors. theta energy: -1.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 137 Temperature: 1.200000 Total energy: -25.386825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.386825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.386825 (E_RNA) where: Base-Base interactions energy: -9.515 where: short stacking energy: -9.515 Base-Backbone interact. energy: 1.200 local terms energy: -17.071931 where: bonds (distance) C4'-P energy: -3.320 bonds (distance) P-C4' energy: -5.540 flat angles C4'-P-C4' energy: -5.253 flat angles P-C4'-P energy: -3.204 tors. eta vs tors. theta energy: 0.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 137 Temperature: 1.250000 Total energy: -29.309177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.309177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.309177 (E_RNA) where: Base-Base interactions energy: -11.424 where: short stacking energy: -11.424 Base-Backbone interact. energy: -0.001 local terms energy: -17.884318 where: bonds (distance) C4'-P energy: -2.675 bonds (distance) P-C4' energy: -5.783 flat angles C4'-P-C4' energy: -4.389 flat angles P-C4'-P energy: -4.068 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: 9, replica: 9 ===================================== Write number: 137 Temperature: 1.300000 Total energy: -34.145864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.145864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.145864 (E_RNA) where: Base-Base interactions energy: -11.964 where: short stacking energy: -11.964 Base-Backbone interact. energy: 0.206 local terms energy: -22.388356 where: bonds (distance) C4'-P energy: -4.547 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -5.378 flat angles P-C4'-P energy: -3.814 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: 10, replica: 1 ===================================== Write number: 137 Temperature: 1.350000 Total energy: -24.873399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.873399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.873399 (E_RNA) where: Base-Base interactions energy: -8.349 where: short stacking energy: -8.349 Base-Backbone interact. energy: -0.000 local terms energy: -16.524042 where: bonds (distance) C4'-P energy: -2.680 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -2.760 flat angles P-C4'-P energy: -3.958 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: 1, replica: 3 ===================================== Write number: 138 Temperature: 0.900000 Total energy: -29.131538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.131538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.131538 (E_RNA) where: Base-Base interactions energy: -7.485 where: short stacking energy: -7.485 Base-Backbone interact. energy: -0.000 local terms energy: -21.646903 where: bonds (distance) C4'-P energy: -5.010 bonds (distance) P-C4' energy: -5.566 flat angles C4'-P-C4' energy: -5.096 flat angles P-C4'-P energy: -3.773 tors. eta vs tors. theta energy: -2.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 138 Temperature: 0.950000 Total energy: -34.038674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.038674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.038674 (E_RNA) where: Base-Base interactions energy: -14.785 where: short stacking energy: -14.785 Base-Backbone interact. energy: -0.000 local terms energy: -19.253171 where: bonds (distance) C4'-P energy: -2.691 bonds (distance) P-C4' energy: -4.388 flat angles C4'-P-C4' energy: -4.763 flat angles P-C4'-P energy: -2.415 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: 3, replica: 4 ===================================== Write number: 138 Temperature: 1.000000 Total energy: -35.346704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.346704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.346704 (E_RNA) where: Base-Base interactions energy: -15.423 where: short stacking energy: -15.423 Base-Backbone interact. energy: -0.000 local terms energy: -19.924073 where: bonds (distance) C4'-P energy: -4.865 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -4.282 flat angles P-C4'-P energy: -1.677 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: 6 ===================================== Write number: 138 Temperature: 1.050000 Total energy: -35.053864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.053864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.053864 (E_RNA) where: Base-Base interactions energy: -11.370 where: short stacking energy: -11.370 Base-Backbone interact. energy: -0.000 local terms energy: -23.683465 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.608 flat angles P-C4'-P energy: -3.189 tors. eta vs tors. theta energy: -3.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 138 Temperature: 1.100000 Total energy: -30.306507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.306507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.306507 (E_RNA) where: Base-Base interactions energy: -6.464 where: short stacking energy: -6.464 Base-Backbone interact. energy: -0.000 local terms energy: -23.842935 where: bonds (distance) C4'-P energy: -3.392 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.220 flat angles P-C4'-P energy: -3.713 tors. eta vs tors. theta energy: -5.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 138 Temperature: 1.150000 Total energy: -28.076629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.076629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.076629 (E_RNA) where: Base-Base interactions energy: -7.085 where: short stacking energy: -7.085 Base-Backbone interact. energy: -0.000 local terms energy: -20.990920 where: bonds (distance) C4'-P energy: -4.663 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -4.752 flat angles P-C4'-P energy: -3.537 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: 7, replica: 2 ===================================== Write number: 138 Temperature: 1.200000 Total energy: -30.922346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.922346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.922346 (E_RNA) where: Base-Base interactions energy: -9.683 where: short stacking energy: -9.683 Base-Backbone interact. energy: -0.000 local terms energy: -21.239325 where: bonds (distance) C4'-P energy: -5.188 bonds (distance) P-C4' energy: -2.842 flat angles C4'-P-C4' energy: -4.822 flat angles P-C4'-P energy: -2.293 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: 8, replica: 8 ===================================== Write number: 138 Temperature: 1.250000 Total energy: -29.884059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.884059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.884059 (E_RNA) where: Base-Base interactions energy: -12.376 where: short stacking energy: -12.376 Base-Backbone interact. energy: -0.000 local terms energy: -17.508053 where: bonds (distance) C4'-P energy: -2.514 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -4.250 flat angles P-C4'-P energy: -2.438 tors. eta vs tors. theta energy: -2.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 138 Temperature: 1.300000 Total energy: -22.900426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.900426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.900426 (E_RNA) where: Base-Base interactions energy: -6.118 where: short stacking energy: -6.118 Base-Backbone interact. energy: -0.000 local terms energy: -16.782702 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -2.894 flat angles P-C4'-P energy: -2.875 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: 10, replica: 9 ===================================== Write number: 138 Temperature: 1.350000 Total energy: -24.337573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.337573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.337573 (E_RNA) where: Base-Base interactions energy: -3.714 where: short stacking energy: -3.714 Base-Backbone interact. energy: -0.058 local terms energy: -20.566106 where: bonds (distance) C4'-P energy: -3.544 bonds (distance) P-C4' energy: -5.995 flat angles C4'-P-C4' energy: -5.014 flat angles P-C4'-P energy: -3.417 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: 1, replica: 3 ===================================== Write number: 139 Temperature: 0.900000 Total energy: -34.087867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.087867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.087867 (E_RNA) where: Base-Base interactions energy: -12.416 where: short stacking energy: -12.416 Base-Backbone interact. energy: -0.016 local terms energy: -21.655631 where: bonds (distance) C4'-P energy: -4.509 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.642 flat angles P-C4'-P energy: -3.080 tors. eta vs tors. theta energy: -3.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 139 Temperature: 0.950000 Total energy: -29.579312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.579312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.579312 (E_RNA) where: Base-Base interactions energy: -7.728 where: short stacking energy: -7.728 Base-Backbone interact. energy: -0.062 local terms energy: -21.789840 where: bonds (distance) C4'-P energy: -5.018 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.646 flat angles P-C4'-P energy: -3.970 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: 3, replica: 7 ===================================== Write number: 139 Temperature: 1.000000 Total energy: -27.766921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.766921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.766921 (E_RNA) where: Base-Base interactions energy: -7.880 where: short stacking energy: -7.880 Base-Backbone interact. energy: -0.109 local terms energy: -19.778373 where: bonds (distance) C4'-P energy: -4.663 bonds (distance) P-C4' energy: -5.516 flat angles C4'-P-C4' energy: -4.583 flat angles P-C4'-P energy: -4.550 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: 4, replica: 6 ===================================== Write number: 139 Temperature: 1.050000 Total energy: -28.291644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.291644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.291644 (E_RNA) where: Base-Base interactions energy: -9.096 where: short stacking energy: -9.096 Base-Backbone interact. energy: -0.000 local terms energy: -19.195308 where: bonds (distance) C4'-P energy: -4.547 bonds (distance) P-C4' energy: -5.467 flat angles C4'-P-C4' energy: -4.145 flat angles P-C4'-P energy: -3.173 tors. eta vs tors. theta energy: -1.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 139 Temperature: 1.100000 Total energy: -29.424911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.424911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.424911 (E_RNA) where: Base-Base interactions energy: -11.515 where: short stacking energy: -11.515 Base-Backbone interact. energy: -0.013 local terms energy: -17.896807 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -4.190 flat angles C4'-P-C4' energy: -4.762 flat angles P-C4'-P energy: -2.872 tors. eta vs tors. theta energy: -1.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 139 Temperature: 1.150000 Total energy: -27.450836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.450836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.450836 (E_RNA) where: Base-Base interactions energy: -7.906 where: short stacking energy: -7.906 Base-Backbone interact. energy: -0.238 local terms energy: -19.306734 where: bonds (distance) C4'-P energy: -4.753 bonds (distance) P-C4' energy: -5.730 flat angles C4'-P-C4' energy: -4.956 flat angles P-C4'-P energy: -3.934 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: 7, replica: 5 ===================================== Write number: 139 Temperature: 1.200000 Total energy: -27.581008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.581008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.581008 (E_RNA) where: Base-Base interactions energy: -8.627 where: short stacking energy: -8.627 Base-Backbone interact. energy: -0.001 local terms energy: -18.952980 where: bonds (distance) C4'-P energy: -3.544 bonds (distance) P-C4' energy: -5.311 flat angles C4'-P-C4' energy: -5.665 flat angles P-C4'-P energy: -4.486 tors. eta vs tors. theta energy: 0.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 139 Temperature: 1.250000 Total energy: -31.081854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.081854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.081854 (E_RNA) where: Base-Base interactions energy: -10.559 where: short stacking energy: -10.559 Base-Backbone interact. energy: -0.002 local terms energy: -20.520714 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -5.494 flat angles C4'-P-C4' energy: -4.496 flat angles P-C4'-P energy: -3.706 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: 9, replica: 8 ===================================== Write number: 139 Temperature: 1.300000 Total energy: -26.238930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.238930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.238930 (E_RNA) where: Base-Base interactions energy: -9.370 where: short stacking energy: -9.370 Base-Backbone interact. energy: -0.059 local terms energy: -16.810630 where: bonds (distance) C4'-P energy: -4.041 bonds (distance) P-C4' energy: -4.713 flat angles C4'-P-C4' energy: -2.130 flat angles P-C4'-P energy: -4.809 tors. eta vs tors. theta energy: -1.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 139 Temperature: 1.350000 Total energy: -27.950892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.950892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.950892 (E_RNA) where: Base-Base interactions energy: -10.282 where: short stacking energy: -10.282 Base-Backbone interact. energy: -0.090 local terms energy: -17.578235 where: bonds (distance) C4'-P energy: -3.891 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -4.397 flat angles P-C4'-P energy: -1.171 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: 140 Temperature: 0.900000 Total energy: -40.822306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.822306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.822306 (E_RNA) where: Base-Base interactions energy: -16.993 where: short stacking energy: -16.993 Base-Backbone interact. energy: -0.000 local terms energy: -23.828821 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -4.242 flat angles P-C4'-P energy: -4.096 tors. eta vs tors. theta energy: -4.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 140 Temperature: 0.950000 Total energy: -37.242189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.242189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.242189 (E_RNA) where: Base-Base interactions energy: -14.382 where: short stacking energy: -14.382 Base-Backbone interact. energy: -0.000 local terms energy: -22.859586 where: bonds (distance) C4'-P energy: -4.787 bonds (distance) P-C4' energy: -5.494 flat angles C4'-P-C4' energy: -5.183 flat angles P-C4'-P energy: -3.424 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: 3, replica: 6 ===================================== Write number: 140 Temperature: 1.000000 Total energy: -33.716691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.716691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.716691 (E_RNA) where: Base-Base interactions energy: -12.546 where: short stacking energy: -12.546 Base-Backbone interact. energy: -0.062 local terms energy: -21.108981 where: bonds (distance) C4'-P energy: -4.716 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -5.288 flat angles P-C4'-P energy: -4.026 tors. eta vs tors. theta energy: -1.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 140 Temperature: 1.050000 Total energy: -27.616388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.616388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.616388 (E_RNA) where: Base-Base interactions energy: -11.614 where: short stacking energy: -11.614 Base-Backbone interact. energy: 1.893 local terms energy: -17.895056 where: bonds (distance) C4'-P energy: -3.382 bonds (distance) P-C4' energy: -5.516 flat angles C4'-P-C4' energy: -3.978 flat angles P-C4'-P energy: -2.984 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: 5, replica: 2 ===================================== Write number: 140 Temperature: 1.100000 Total energy: -26.036440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.036440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.036440 (E_RNA) where: Base-Base interactions energy: -11.640 where: short stacking energy: -11.640 Base-Backbone interact. energy: -0.004 local terms energy: -14.392289 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -3.277 flat angles C4'-P-C4' energy: -3.971 flat angles P-C4'-P energy: -2.736 tors. eta vs tors. theta energy: 0.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 140 Temperature: 1.150000 Total energy: -32.155679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.155679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.155679 (E_RNA) where: Base-Base interactions energy: -13.400 where: short stacking energy: -13.400 Base-Backbone interact. energy: -0.000 local terms energy: -18.755671 where: bonds (distance) C4'-P energy: -2.009 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -4.885 flat angles P-C4'-P energy: -3.442 tors. eta vs tors. theta energy: -2.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 140 Temperature: 1.200000 Total energy: -23.775207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.775207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.775207 (E_RNA) where: Base-Base interactions energy: -7.106 where: short stacking energy: -7.106 Base-Backbone interact. energy: -0.001 local terms energy: -16.668092 where: bonds (distance) C4'-P energy: -4.227 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -3.251 flat angles P-C4'-P energy: -3.409 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: 8, replica: 5 ===================================== Write number: 140 Temperature: 1.250000 Total energy: -24.971264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.971264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.971264 (E_RNA) where: Base-Base interactions energy: -3.564 where: short stacking energy: -3.564 Base-Backbone interact. energy: -0.002 local terms energy: -21.405364 where: bonds (distance) C4'-P energy: -4.485 bonds (distance) P-C4' energy: -5.522 flat angles C4'-P-C4' energy: -5.712 flat angles P-C4'-P energy: -2.739 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: 9, replica: 9 ===================================== Write number: 140 Temperature: 1.300000 Total energy: -22.778575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.778575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.778575 (E_RNA) where: Base-Base interactions energy: -3.232 where: short stacking energy: -2.787 Base-Backbone interact. energy: -0.001 local terms energy: -19.545830 where: bonds (distance) C4'-P energy: -4.008 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -4.152 flat angles P-C4'-P energy: -4.380 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: 10, replica: 8 ===================================== Write number: 140 Temperature: 1.350000 Total energy: -25.914547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.914547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.914547 (E_RNA) where: Base-Base interactions energy: -8.420 where: short stacking energy: -8.420 Base-Backbone interact. energy: -0.087 local terms energy: -17.406977 where: bonds (distance) C4'-P energy: -4.253 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -3.250 flat angles P-C4'-P energy: -2.042 tors. eta vs tors. theta energy: -1.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 141 Temperature: 0.900000 Total energy: -33.962818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.962818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.962818 (E_RNA) where: Base-Base interactions energy: -13.090 where: short stacking energy: -13.090 Base-Backbone interact. energy: -0.023 local terms energy: -20.850637 where: bonds (distance) C4'-P energy: -4.227 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.845 flat angles P-C4'-P energy: -4.384 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: 2, replica: 6 ===================================== Write number: 141 Temperature: 0.950000 Total energy: -33.833770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.833770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.833770 (E_RNA) where: Base-Base interactions energy: -12.580 where: short stacking energy: -12.580 Base-Backbone interact. energy: -0.001 local terms energy: -21.252622 where: bonds (distance) C4'-P energy: -4.513 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -5.241 flat angles P-C4'-P energy: -3.415 tors. eta vs tors. theta energy: -2.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 141 Temperature: 1.000000 Total energy: -34.147514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.147514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.147514 (E_RNA) where: Base-Base interactions energy: -13.267 where: short stacking energy: -13.267 Base-Backbone interact. energy: -0.000 local terms energy: -20.880836 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -3.994 flat angles C4'-P-C4' energy: -4.657 flat angles P-C4'-P energy: -3.670 tors. eta vs tors. theta energy: -3.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 141 Temperature: 1.050000 Total energy: -30.880010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.880010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.880010 (E_RNA) where: Base-Base interactions energy: -12.088 where: short stacking energy: -12.088 Base-Backbone interact. energy: -0.065 local terms energy: -18.726632 where: bonds (distance) C4'-P energy: -4.911 bonds (distance) P-C4' energy: -3.994 flat angles C4'-P-C4' energy: -3.077 flat angles P-C4'-P energy: -2.213 tors. eta vs tors. theta energy: -4.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 141 Temperature: 1.100000 Total energy: -27.584933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.584933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.584933 (E_RNA) where: Base-Base interactions energy: -7.800 where: short stacking energy: -7.800 Base-Backbone interact. energy: -0.000 local terms energy: -19.784756 where: bonds (distance) C4'-P energy: -3.648 bonds (distance) P-C4' energy: -5.783 flat angles C4'-P-C4' energy: -4.909 flat angles P-C4'-P energy: -3.738 tors. eta vs tors. theta energy: -1.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 141 Temperature: 1.150000 Total energy: -27.941214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.941214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.941214 (E_RNA) where: Base-Base interactions energy: -8.538 where: short stacking energy: -8.538 Base-Backbone interact. energy: -0.105 local terms energy: -19.298381 where: bonds (distance) C4'-P energy: -4.778 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -4.425 flat angles P-C4'-P energy: -4.061 tors. eta vs tors. theta energy: -0.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 141 Temperature: 1.200000 Total energy: -31.596671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.596671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.596671 (E_RNA) where: Base-Base interactions energy: -11.943 where: short stacking energy: -11.943 Base-Backbone interact. energy: -0.089 local terms energy: -19.563840 where: bonds (distance) C4'-P energy: -5.391 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -4.136 flat angles P-C4'-P energy: -1.664 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: 8, replica: 9 ===================================== Write number: 141 Temperature: 1.250000 Total energy: -31.119589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.119589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.119589 (E_RNA) where: Base-Base interactions energy: -10.310 where: short stacking energy: -10.310 Base-Backbone interact. energy: -0.000 local terms energy: -20.808959 where: bonds (distance) C4'-P energy: -3.809 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.858 flat angles P-C4'-P energy: -3.437 tors. eta vs tors. theta energy: -2.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 141 Temperature: 1.300000 Total energy: -28.783011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.783011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.783011 (E_RNA) where: Base-Base interactions energy: -11.495 where: short stacking energy: -11.495 Base-Backbone interact. energy: -0.000 local terms energy: -17.287503 where: bonds (distance) C4'-P energy: -4.389 bonds (distance) P-C4' energy: -4.860 flat angles C4'-P-C4' energy: -2.768 flat angles P-C4'-P energy: -1.952 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: 10, replica: 8 ===================================== Write number: 141 Temperature: 1.350000 Total energy: -26.531589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.531589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.531589 (E_RNA) where: Base-Base interactions energy: -6.667 where: short stacking energy: -6.667 Base-Backbone interact. energy: -0.000 local terms energy: -19.864713 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.656 flat angles P-C4'-P energy: -3.413 tors. eta vs tors. theta energy: -0.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 142 Temperature: 0.900000 Total energy: -35.104177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.104177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.104177 (E_RNA) where: Base-Base interactions energy: -13.911 where: short stacking energy: -13.911 Base-Backbone interact. energy: -0.000 local terms energy: -21.193371 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.738 flat angles P-C4'-P energy: -1.678 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: 2, replica: 4 ===================================== Write number: 142 Temperature: 0.950000 Total energy: -36.912885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.912885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.912885 (E_RNA) where: Base-Base interactions energy: -14.818 where: short stacking energy: -14.818 Base-Backbone interact. energy: -0.000 local terms energy: -22.094658 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -4.973 flat angles C4'-P-C4' energy: -4.961 flat angles P-C4'-P energy: -1.288 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: 2 ===================================== Write number: 142 Temperature: 1.000000 Total energy: -28.288982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.288982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.288982 (E_RNA) where: Base-Base interactions energy: -6.611 where: short stacking energy: -6.611 Base-Backbone interact. energy: -0.017 local terms energy: -21.660745 where: bonds (distance) C4'-P energy: -5.498 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -4.460 flat angles P-C4'-P energy: -3.511 tors. eta vs tors. theta energy: -1.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 142 Temperature: 1.050000 Total energy: -29.299615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.299615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.299615 (E_RNA) where: Base-Base interactions energy: -10.144 where: short stacking energy: -10.144 Base-Backbone interact. energy: -0.000 local terms energy: -19.155357 where: bonds (distance) C4'-P energy: -3.992 bonds (distance) P-C4' energy: -4.867 flat angles C4'-P-C4' energy: -5.308 flat angles P-C4'-P energy: -3.658 tors. eta vs tors. theta energy: -1.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 142 Temperature: 1.100000 Total energy: -30.524287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.524287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.524287 (E_RNA) where: Base-Base interactions energy: -10.236 where: short stacking energy: -10.236 Base-Backbone interact. energy: -0.000 local terms energy: -20.288728 where: bonds (distance) C4'-P energy: -3.900 bonds (distance) P-C4' energy: -5.212 flat angles C4'-P-C4' energy: -4.620 flat angles P-C4'-P energy: -3.550 tors. eta vs tors. theta energy: -3.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 142 Temperature: 1.150000 Total energy: -35.405065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.405065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.405065 (E_RNA) where: Base-Base interactions energy: -12.617 where: short stacking energy: -12.617 Base-Backbone interact. energy: -0.000 local terms energy: -22.788303 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.875 flat angles P-C4'-P energy: -3.254 tors. eta vs tors. theta energy: -3.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 142 Temperature: 1.200000 Total energy: -26.021633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.021633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.021633 (E_RNA) where: Base-Base interactions energy: -7.653 where: short stacking energy: -7.653 Base-Backbone interact. energy: -0.002 local terms energy: -18.366981 where: bonds (distance) C4'-P energy: -5.391 bonds (distance) P-C4' energy: -5.047 flat angles C4'-P-C4' energy: -2.709 flat angles P-C4'-P energy: -3.358 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: 8, replica: 10 ===================================== Write number: 142 Temperature: 1.250000 Total energy: -29.297081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.297081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.297081 (E_RNA) where: Base-Base interactions energy: -11.605 where: short stacking energy: -11.605 Base-Backbone interact. energy: -0.006 local terms energy: -17.685495 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.065 flat angles C4'-P-C4' energy: -1.975 flat angles P-C4'-P energy: -4.626 tors. eta vs tors. theta energy: -0.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 142 Temperature: 1.300000 Total energy: -28.393394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.393394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.393394 (E_RNA) where: Base-Base interactions energy: -7.957 where: short stacking energy: -7.957 Base-Backbone interact. energy: -0.001 local terms energy: -20.435162 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -4.807 flat angles C4'-P-C4' energy: -4.939 flat angles P-C4'-P energy: -3.317 tors. eta vs tors. theta energy: -2.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 142 Temperature: 1.350000 Total energy: -23.917168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.917168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.917168 (E_RNA) where: Base-Base interactions energy: -8.946 where: short stacking energy: -8.946 Base-Backbone interact. energy: -0.000 local terms energy: -14.971133 where: bonds (distance) C4'-P energy: -4.103 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -0.540 flat angles P-C4'-P energy: -1.233 tors. eta vs tors. theta energy: -3.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 143 Temperature: 0.900000 Total energy: -32.397921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.397921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.397921 (E_RNA) where: Base-Base interactions energy: -10.657 where: short stacking energy: -10.657 Base-Backbone interact. energy: -0.004 local terms energy: -21.736914 where: bonds (distance) C4'-P energy: -4.289 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.397 flat angles P-C4'-P energy: -4.420 tors. eta vs tors. theta energy: -3.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 143 Temperature: 0.950000 Total energy: -32.078553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.078553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.078553 (E_RNA) where: Base-Base interactions energy: -11.988 where: short stacking energy: -11.988 Base-Backbone interact. energy: -0.004 local terms energy: -20.086366 where: bonds (distance) C4'-P energy: -3.876 bonds (distance) P-C4' energy: -5.494 flat angles C4'-P-C4' energy: -5.274 flat angles P-C4'-P energy: -4.434 tors. eta vs tors. theta energy: -1.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 143 Temperature: 1.000000 Total energy: -30.445561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.445561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.445561 (E_RNA) where: Base-Base interactions energy: -11.244 where: short stacking energy: -11.244 Base-Backbone interact. energy: -0.092 local terms energy: -19.110349 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -3.861 flat angles P-C4'-P energy: -1.437 tors. eta vs tors. theta energy: -2.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 143 Temperature: 1.050000 Total energy: -31.282609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.282609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.282609 (E_RNA) where: Base-Base interactions energy: -11.140 where: short stacking energy: -11.140 Base-Backbone interact. energy: -0.007 local terms energy: -20.135773 where: bonds (distance) C4'-P energy: -3.338 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.207 flat angles P-C4'-P energy: -3.828 tors. eta vs tors. theta energy: -1.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 143 Temperature: 1.100000 Total energy: -27.389732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.389732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.389732 (E_RNA) where: Base-Base interactions energy: -12.001 where: short stacking energy: -12.001 Base-Backbone interact. energy: -0.062 local terms energy: -15.326501 where: bonds (distance) C4'-P energy: -4.066 bonds (distance) P-C4' energy: -4.385 flat angles C4'-P-C4' energy: -3.088 flat angles P-C4'-P energy: -3.776 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: 6, replica: 9 ===================================== Write number: 143 Temperature: 1.150000 Total energy: -27.314809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.314809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.314809 (E_RNA) where: Base-Base interactions energy: -8.364 where: short stacking energy: -8.364 Base-Backbone interact. energy: -0.001 local terms energy: -18.949870 where: bonds (distance) C4'-P energy: -5.196 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -2.909 flat angles P-C4'-P energy: -4.023 tors. eta vs tors. theta energy: -0.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 143 Temperature: 1.200000 Total energy: -26.701800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.701800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.701800 (E_RNA) where: Base-Base interactions energy: -11.669 where: short stacking energy: -11.669 Base-Backbone interact. energy: -0.000 local terms energy: -15.031986 where: bonds (distance) C4'-P energy: -3.288 bonds (distance) P-C4' energy: -5.730 flat angles C4'-P-C4' energy: -3.948 flat angles P-C4'-P energy: 0.303 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: 8 ===================================== Write number: 143 Temperature: 1.250000 Total energy: -27.932662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.932662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.932662 (E_RNA) where: Base-Base interactions energy: -9.933 where: short stacking energy: -9.933 Base-Backbone interact. energy: -0.099 local terms energy: -17.900807 where: bonds (distance) C4'-P energy: -1.280 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -4.311 flat angles P-C4'-P energy: -3.872 tors. eta vs tors. theta energy: -2.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 143 Temperature: 1.300000 Total energy: -26.084024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.084024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.084024 (E_RNA) where: Base-Base interactions energy: -8.425 where: short stacking energy: -8.425 Base-Backbone interact. energy: -0.000 local terms energy: -17.658867 where: bonds (distance) C4'-P energy: -4.786 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -2.953 flat angles P-C4'-P energy: -1.988 tors. eta vs tors. theta energy: -2.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 143 Temperature: 1.350000 Total energy: -25.011828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.011828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.011828 (E_RNA) where: Base-Base interactions energy: -7.419 where: short stacking energy: -7.419 Base-Backbone interact. energy: -0.008 local terms energy: -17.585516 where: bonds (distance) C4'-P energy: -4.016 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -5.153 flat angles P-C4'-P energy: -1.630 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: 1, replica: 4 ===================================== Write number: 144 Temperature: 0.900000 Total energy: -33.743185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.743185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.743185 (E_RNA) where: Base-Base interactions energy: -13.071 where: short stacking energy: -13.071 Base-Backbone interact. energy: -0.001 local terms energy: -20.671052 where: bonds (distance) C4'-P energy: -2.001 bonds (distance) P-C4' energy: -5.526 flat angles C4'-P-C4' energy: -5.155 flat angles P-C4'-P energy: -3.621 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: 2, replica: 6 ===================================== Write number: 144 Temperature: 0.950000 Total energy: -37.561429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.561429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.561429 (E_RNA) where: Base-Base interactions energy: -13.477 where: short stacking energy: -13.477 Base-Backbone interact. energy: -0.000 local terms energy: -24.084369 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.889 flat angles P-C4'-P energy: -3.360 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: 3, replica: 1 ===================================== Write number: 144 Temperature: 1.000000 Total energy: -29.628236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.628236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.628236 (E_RNA) where: Base-Base interactions energy: -7.380 where: short stacking energy: -7.380 Base-Backbone interact. energy: -0.001 local terms energy: -22.247045 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -5.083 flat angles P-C4'-P energy: -3.135 tors. eta vs tors. theta energy: -2.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 144 Temperature: 1.050000 Total energy: -33.839942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.839942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.839942 (E_RNA) where: Base-Base interactions energy: -10.242 where: short stacking energy: -10.242 Base-Backbone interact. energy: -0.000 local terms energy: -23.597731 where: bonds (distance) C4'-P energy: -4.753 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.376 flat angles P-C4'-P energy: -4.008 tors. eta vs tors. theta energy: -3.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 144 Temperature: 1.100000 Total energy: -29.866868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.866868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.866868 (E_RNA) where: Base-Base interactions energy: -8.234 where: short stacking energy: -8.234 Base-Backbone interact. energy: -0.000 local terms energy: -21.632602 where: bonds (distance) C4'-P energy: -4.637 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -3.099 flat angles P-C4'-P energy: -3.738 tors. eta vs tors. theta energy: -4.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 144 Temperature: 1.150000 Total energy: -31.419476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.419476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.419476 (E_RNA) where: Base-Base interactions energy: -10.997 where: short stacking energy: -10.997 Base-Backbone interact. energy: -0.013 local terms energy: -20.409823 where: bonds (distance) C4'-P energy: -4.725 bonds (distance) P-C4' energy: -4.522 flat angles C4'-P-C4' energy: -5.440 flat angles P-C4'-P energy: -3.012 tors. eta vs tors. theta energy: -2.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 144 Temperature: 1.200000 Total energy: -32.346561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.346561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.346561 (E_RNA) where: Base-Base interactions energy: -10.819 where: short stacking energy: -10.819 Base-Backbone interact. energy: -0.025 local terms energy: -21.502363 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -4.951 flat angles C4'-P-C4' energy: -5.520 flat angles P-C4'-P energy: -4.560 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: 8, replica: 7 ===================================== Write number: 144 Temperature: 1.250000 Total energy: -26.160341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.160341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.160341 (E_RNA) where: Base-Base interactions energy: -7.728 where: short stacking energy: -7.728 Base-Backbone interact. energy: -0.697 local terms energy: -17.735301 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -6.020 flat angles C4'-P-C4' energy: -4.062 flat angles P-C4'-P energy: -2.961 tors. eta vs tors. theta energy: 0.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 144 Temperature: 1.300000 Total energy: -30.605008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.605008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.605008 (E_RNA) where: Base-Base interactions energy: -10.397 where: short stacking energy: -10.397 Base-Backbone interact. energy: -0.018 local terms energy: -20.190676 where: bonds (distance) C4'-P energy: -4.405 bonds (distance) P-C4' energy: -4.448 flat angles C4'-P-C4' energy: -4.592 flat angles P-C4'-P energy: -4.019 tors. eta vs tors. theta energy: -2.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 144 Temperature: 1.350000 Total energy: -26.766835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.766835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.766835 (E_RNA) where: Base-Base interactions energy: -7.514 where: short stacking energy: -7.514 Base-Backbone interact. energy: -0.001 local terms energy: -19.252245 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -4.706 flat angles C4'-P-C4' energy: -4.607 flat angles P-C4'-P energy: -3.623 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: 1, replica: 4 ===================================== Write number: 145 Temperature: 0.900000 Total energy: -33.864564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.864564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.864564 (E_RNA) where: Base-Base interactions energy: -13.367 where: short stacking energy: -13.367 Base-Backbone interact. energy: -0.056 local terms energy: -20.442012 where: bonds (distance) C4'-P energy: -4.199 bonds (distance) P-C4' energy: -3.274 flat angles C4'-P-C4' energy: -4.778 flat angles P-C4'-P energy: -4.930 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: 2, replica: 1 ===================================== Write number: 145 Temperature: 0.950000 Total energy: -29.947457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.947457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.947457 (E_RNA) where: Base-Base interactions energy: -11.236 where: short stacking energy: -11.236 Base-Backbone interact. energy: -0.150 local terms energy: -18.561466 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -4.832 flat angles C4'-P-C4' energy: -3.419 flat angles P-C4'-P energy: -4.229 tors. eta vs tors. theta energy: -0.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 145 Temperature: 1.000000 Total energy: -33.789340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.789340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.789340 (E_RNA) where: Base-Base interactions energy: -11.624 where: short stacking energy: -11.624 Base-Backbone interact. energy: -0.000 local terms energy: -22.164787 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.721 flat angles P-C4'-P energy: -2.546 tors. eta vs tors. theta energy: -3.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 145 Temperature: 1.050000 Total energy: -34.059834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.059834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.059834 (E_RNA) where: Base-Base interactions energy: -12.092 where: short stacking energy: -12.092 Base-Backbone interact. energy: -0.002 local terms energy: -21.965278 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -3.997 flat angles C4'-P-C4' energy: -5.330 flat angles P-C4'-P energy: -3.855 tors. eta vs tors. theta energy: -3.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 145 Temperature: 1.100000 Total energy: -32.459291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.459291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.459291 (E_RNA) where: Base-Base interactions energy: -11.815 where: short stacking energy: -11.815 Base-Backbone interact. energy: -0.009 local terms energy: -20.635565 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.153 flat angles P-C4'-P energy: -2.484 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: 6, replica: 8 ===================================== Write number: 145 Temperature: 1.150000 Total energy: -30.473197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.473197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.473197 (E_RNA) where: Base-Base interactions energy: -11.047 where: short stacking energy: -11.047 Base-Backbone interact. energy: -0.000 local terms energy: -19.426127 where: bonds (distance) C4'-P energy: -4.919 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.654 flat angles P-C4'-P energy: -1.933 tors. eta vs tors. theta energy: -1.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 145 Temperature: 1.200000 Total energy: -30.742729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.742729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.742729 (E_RNA) where: Base-Base interactions energy: -8.893 where: short stacking energy: -8.893 Base-Backbone interact. energy: -0.001 local terms energy: -21.848485 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.777 flat angles P-C4'-P energy: -3.693 tors. eta vs tors. theta energy: -2.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 145 Temperature: 1.250000 Total energy: -34.070802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.070802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.070802 (E_RNA) where: Base-Base interactions energy: -13.190 where: short stacking energy: -13.190 Base-Backbone interact. energy: -0.000 local terms energy: -20.881057 where: bonds (distance) C4'-P energy: -4.273 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -4.976 flat angles P-C4'-P energy: -2.977 tors. eta vs tors. theta energy: -3.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 145 Temperature: 1.300000 Total energy: -25.816653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.816653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.816653 (E_RNA) where: Base-Base interactions energy: -7.816 where: short stacking energy: -7.816 Base-Backbone interact. energy: -0.090 local terms energy: -17.910500 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -4.678 flat angles P-C4'-P energy: -2.819 tors. eta vs tors. theta energy: 0.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 145 Temperature: 1.350000 Total energy: -24.705668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.705668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.705668 (E_RNA) where: Base-Base interactions energy: -8.732 where: short stacking energy: -8.732 Base-Backbone interact. energy: -0.000 local terms energy: -15.973565 where: bonds (distance) C4'-P energy: -2.531 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -3.182 flat angles P-C4'-P energy: -2.888 tors. eta vs tors. theta energy: -1.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 146 Temperature: 0.900000 Total energy: -33.334195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.334195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.334195 (E_RNA) where: Base-Base interactions energy: -11.255 where: short stacking energy: -11.255 Base-Backbone interact. energy: -0.000 local terms energy: -22.078963 where: bonds (distance) C4'-P energy: -4.369 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -5.152 flat angles P-C4'-P energy: -3.495 tors. eta vs tors. theta energy: -3.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 146 Temperature: 0.950000 Total energy: -32.938310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.938310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.938310 (E_RNA) where: Base-Base interactions energy: -11.771 where: short stacking energy: -11.771 Base-Backbone interact. energy: -0.189 local terms energy: -20.977801 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -3.950 flat angles P-C4'-P energy: -4.469 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: 3, replica: 9 ===================================== Write number: 146 Temperature: 1.000000 Total energy: -26.562487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.562487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.562487 (E_RNA) where: Base-Base interactions energy: -9.220 where: short stacking energy: -9.220 Base-Backbone interact. energy: -0.055 local terms energy: -17.287529 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -2.678 flat angles P-C4'-P energy: -3.312 tors. eta vs tors. theta energy: -0.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 146 Temperature: 1.050000 Total energy: -30.021815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.021815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.021815 (E_RNA) where: Base-Base interactions energy: -9.455 where: short stacking energy: -9.671 Base-Backbone interact. energy: -0.032 local terms energy: -20.535765 where: bonds (distance) C4'-P energy: -4.513 bonds (distance) P-C4' energy: -5.569 flat angles C4'-P-C4' energy: -5.486 flat angles P-C4'-P energy: -3.702 tors. eta vs tors. theta energy: -1.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 146 Temperature: 1.100000 Total energy: -34.428371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.428371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.428371 (E_RNA) where: Base-Base interactions energy: -14.301 where: short stacking energy: -14.301 Base-Backbone interact. energy: -0.001 local terms energy: -20.126289 where: bonds (distance) C4'-P energy: -2.923 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -3.736 flat angles P-C4'-P energy: -4.171 tors. eta vs tors. theta energy: -3.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 146 Temperature: 1.150000 Total energy: -31.795120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.795120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.795120 (E_RNA) where: Base-Base interactions energy: -14.400 where: short stacking energy: -14.400 Base-Backbone interact. energy: -0.023 local terms energy: -17.371969 where: bonds (distance) C4'-P energy: -4.227 bonds (distance) P-C4' energy: -5.001 flat angles C4'-P-C4' energy: -3.848 flat angles P-C4'-P energy: -1.847 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: 5 ===================================== Write number: 146 Temperature: 1.200000 Total energy: -31.706738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.706738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.706738 (E_RNA) where: Base-Base interactions energy: -11.825 where: short stacking energy: -11.825 Base-Backbone interact. energy: -0.000 local terms energy: -19.881861 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -4.040 flat angles C4'-P-C4' energy: -5.079 flat angles P-C4'-P energy: -3.884 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: 8, replica: 3 ===================================== Write number: 146 Temperature: 1.250000 Total energy: -26.666865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.666865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.666865 (E_RNA) where: Base-Base interactions energy: -6.826 where: short stacking energy: -6.826 Base-Backbone interact. energy: 0.023 local terms energy: -19.864226 where: bonds (distance) C4'-P energy: -4.307 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -5.058 flat angles P-C4'-P energy: -2.561 tors. eta vs tors. theta energy: -1.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 146 Temperature: 1.300000 Total energy: -31.355224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.355224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.355224 (E_RNA) where: Base-Base interactions energy: -9.969 where: short stacking energy: -9.969 Base-Backbone interact. energy: -0.001 local terms energy: -21.385630 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -5.336 flat angles C4'-P-C4' energy: -4.642 flat angles P-C4'-P energy: -3.783 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: 10, replica: 10 ===================================== Write number: 146 Temperature: 1.350000 Total energy: -24.732103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.732103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.732103 (E_RNA) where: Base-Base interactions energy: -8.780 where: short stacking energy: -8.780 Base-Backbone interact. energy: -0.007 local terms energy: -15.945288 where: bonds (distance) C4'-P energy: -4.529 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -2.771 flat angles P-C4'-P energy: -3.145 tors. eta vs tors. theta energy: -0.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 147 Temperature: 0.900000 Total energy: -34.266639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.266639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.266639 (E_RNA) where: Base-Base interactions energy: -13.525 where: short stacking energy: -13.525 Base-Backbone interact. energy: -0.000 local terms energy: -20.741808 where: bonds (distance) C4'-P energy: -3.668 bonds (distance) P-C4' energy: -4.814 flat angles C4'-P-C4' energy: -5.437 flat angles P-C4'-P energy: -3.552 tors. eta vs tors. theta energy: -3.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 147 Temperature: 0.950000 Total energy: -36.087390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.087390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.087390 (E_RNA) where: Base-Base interactions energy: -13.373 where: short stacking energy: -13.373 Base-Backbone interact. energy: -0.000 local terms energy: -22.714776 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -3.824 flat angles P-C4'-P energy: -4.171 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: 3, replica: 9 ===================================== Write number: 147 Temperature: 1.000000 Total energy: -36.428184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.428184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.428184 (E_RNA) where: Base-Base interactions energy: -15.781 where: short stacking energy: -15.781 Base-Backbone interact. energy: -0.000 local terms energy: -20.647228 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -4.807 flat angles C4'-P-C4' energy: -5.069 flat angles P-C4'-P energy: -2.821 tors. eta vs tors. theta energy: -2.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 147 Temperature: 1.050000 Total energy: -28.809682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.809682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.809682 (E_RNA) where: Base-Base interactions energy: -10.006 where: short stacking energy: -10.006 Base-Backbone interact. energy: -0.000 local terms energy: -18.803519 where: bonds (distance) C4'-P energy: -3.598 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.061 flat angles P-C4'-P energy: -3.961 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: 5, replica: 6 ===================================== Write number: 147 Temperature: 1.100000 Total energy: -30.960679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.960679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.960679 (E_RNA) where: Base-Base interactions energy: -10.858 where: short stacking energy: -10.858 Base-Backbone interact. energy: -0.000 local terms energy: -20.102209 where: bonds (distance) C4'-P energy: -5.018 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -4.271 flat angles P-C4'-P energy: -2.579 tors. eta vs tors. theta energy: -2.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 147 Temperature: 1.150000 Total energy: -26.383883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.383883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.383883 (E_RNA) where: Base-Base interactions energy: -7.367 where: short stacking energy: -7.367 Base-Backbone interact. energy: -0.000 local terms energy: -19.017026 where: bonds (distance) C4'-P energy: -4.513 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -4.076 flat angles P-C4'-P energy: -4.371 tors. eta vs tors. theta energy: -0.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 147 Temperature: 1.200000 Total energy: -31.914205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.914205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.914205 (E_RNA) where: Base-Base interactions energy: -9.993 where: short stacking energy: -9.993 Base-Backbone interact. energy: -0.006 local terms energy: -21.914994 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -4.783 flat angles C4'-P-C4' energy: -5.167 flat angles P-C4'-P energy: -4.124 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: 8, replica: 7 ===================================== Write number: 147 Temperature: 1.250000 Total energy: -22.329459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.329459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.329459 (E_RNA) where: Base-Base interactions energy: -2.654 where: short stacking energy: -2.654 Base-Backbone interact. energy: -0.000 local terms energy: -19.675370 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -3.399 flat angles C4'-P-C4' energy: -5.172 flat angles P-C4'-P energy: -2.640 tors. eta vs tors. theta energy: -3.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 147 Temperature: 1.300000 Total energy: -28.739439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.739439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.739439 (E_RNA) where: Base-Base interactions energy: -9.510 where: short stacking energy: -9.510 Base-Backbone interact. energy: -0.000 local terms energy: -19.229024 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -3.557 flat angles C4'-P-C4' energy: -3.704 flat angles P-C4'-P energy: -4.109 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: 10, replica: 10 ===================================== Write number: 147 Temperature: 1.350000 Total energy: -27.880131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.880131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.880131 (E_RNA) where: Base-Base interactions energy: -10.039 where: short stacking energy: -10.039 Base-Backbone interact. energy: -0.001 local terms energy: -17.840285 where: bonds (distance) C4'-P energy: -4.008 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -3.112 flat angles P-C4'-P energy: -2.728 tors. eta vs tors. theta energy: -2.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 148 Temperature: 0.900000 Total energy: -37.348277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.348277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.348277 (E_RNA) where: Base-Base interactions energy: -13.458 where: short stacking energy: -13.458 Base-Backbone interact. energy: -0.000 local terms energy: -23.889956 where: bonds (distance) C4'-P energy: -4.981 bonds (distance) P-C4' energy: -4.835 flat angles C4'-P-C4' energy: -4.780 flat angles P-C4'-P energy: -3.503 tors. eta vs tors. theta energy: -5.791 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: 2, replica: 1 ===================================== Write number: 148 Temperature: 0.950000 Total energy: -32.807180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.807180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.807180 (E_RNA) where: Base-Base interactions energy: -11.735 where: short stacking energy: -11.735 Base-Backbone interact. energy: -0.066 local terms energy: -21.006694 where: bonds (distance) C4'-P energy: -4.981 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -5.064 flat angles P-C4'-P energy: -3.026 tors. eta vs tors. theta energy: -2.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 148 Temperature: 1.000000 Total energy: -31.645801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.645801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.645801 (E_RNA) where: Base-Base interactions energy: -9.401 where: short stacking energy: -9.401 Base-Backbone interact. energy: -0.000 local terms energy: -22.245003 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -5.783 flat angles C4'-P-C4' energy: -3.649 flat angles P-C4'-P energy: -3.968 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: 9 ===================================== Write number: 148 Temperature: 1.050000 Total energy: -31.234234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.234234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.234234 (E_RNA) where: Base-Base interactions energy: -9.008 where: short stacking energy: -9.008 Base-Backbone interact. energy: -0.001 local terms energy: -22.226133 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -4.890 flat angles P-C4'-P energy: -3.574 tors. eta vs tors. theta energy: -2.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 148 Temperature: 1.100000 Total energy: -29.665333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.665333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.665333 (E_RNA) where: Base-Base interactions energy: -8.619 where: short stacking energy: -8.619 Base-Backbone interact. energy: -0.084 local terms energy: -20.962311 where: bonds (distance) C4'-P energy: -4.261 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.400 flat angles P-C4'-P energy: -4.449 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: 6 ===================================== Write number: 148 Temperature: 1.150000 Total energy: -27.702758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.702758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.702758 (E_RNA) where: Base-Base interactions energy: -7.594 where: short stacking energy: -7.594 Base-Backbone interact. energy: -0.043 local terms energy: -20.066031 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.045 flat angles P-C4'-P energy: -2.660 tors. eta vs tors. theta energy: -1.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 148 Temperature: 1.200000 Total energy: -26.339883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.339883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.339883 (E_RNA) where: Base-Base interactions energy: -5.397 where: short stacking energy: -5.397 Base-Backbone interact. energy: -0.049 local terms energy: -20.894413 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -3.924 flat angles C4'-P-C4' energy: -5.275 flat angles P-C4'-P energy: -2.990 tors. eta vs tors. theta energy: -3.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 148 Temperature: 1.250000 Total energy: -34.267950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.267950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.267950 (E_RNA) where: Base-Base interactions energy: -11.896 where: short stacking energy: -11.896 Base-Backbone interact. energy: -0.000 local terms energy: -22.371972 where: bonds (distance) C4'-P energy: -4.423 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -3.593 flat angles P-C4'-P energy: -3.487 tors. eta vs tors. theta energy: -4.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 148 Temperature: 1.300000 Total energy: -24.937312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.937312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.937312 (E_RNA) where: Base-Base interactions energy: -7.541 where: short stacking energy: -7.541 Base-Backbone interact. energy: -0.000 local terms energy: -17.395962 where: bonds (distance) C4'-P energy: -4.637 bonds (distance) P-C4' energy: -4.411 flat angles C4'-P-C4' energy: -4.503 flat angles P-C4'-P energy: -3.214 tors. eta vs tors. theta energy: -0.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 148 Temperature: 1.350000 Total energy: -24.980478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.980478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.980478 (E_RNA) where: Base-Base interactions energy: -6.986 where: short stacking energy: -6.986 Base-Backbone interact. energy: -0.003 local terms energy: -17.991401 where: bonds (distance) C4'-P energy: -4.547 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.141 flat angles P-C4'-P energy: -2.335 tors. eta vs tors. theta energy: 0.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 149 Temperature: 0.900000 Total energy: -33.594223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.594223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.594223 (E_RNA) where: Base-Base interactions energy: -9.103 where: short stacking energy: -9.103 Base-Backbone interact. energy: -0.000 local terms energy: -24.491422 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.994 flat angles P-C4'-P energy: -2.837 tors. eta vs tors. theta energy: -5.395 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: 2, replica: 8 ===================================== Write number: 149 Temperature: 0.950000 Total energy: -34.085714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.085714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.085714 (E_RNA) where: Base-Base interactions energy: -15.605 where: short stacking energy: -15.605 Base-Backbone interact. energy: 0.304 local terms energy: -18.785362 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -2.829 flat angles P-C4'-P energy: -3.576 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: 3, replica: 1 ===================================== Write number: 149 Temperature: 1.000000 Total energy: -38.789418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.789418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.789418 (E_RNA) where: Base-Base interactions energy: -13.466 where: short stacking energy: -13.466 Base-Backbone interact. energy: -0.000 local terms energy: -25.323497 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.516 flat angles C4'-P-C4' energy: -4.563 flat angles P-C4'-P energy: -3.726 tors. eta vs tors. theta energy: -6.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 149 Temperature: 1.050000 Total energy: -37.762523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.762523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.762523 (E_RNA) where: Base-Base interactions energy: -15.690 where: short stacking energy: -15.690 Base-Backbone interact. energy: -0.000 local terms energy: -22.071988 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -4.547 flat angles C4'-P-C4' energy: -4.696 flat angles P-C4'-P energy: -4.209 tors. eta vs tors. theta energy: -3.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 149 Temperature: 1.100000 Total energy: -31.364993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.364993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.364993 (E_RNA) where: Base-Base interactions energy: -10.382 where: short stacking energy: -10.382 Base-Backbone interact. energy: -0.000 local terms energy: -20.982999 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.060 flat angles P-C4'-P energy: -2.710 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: 6, replica: 2 ===================================== Write number: 149 Temperature: 1.150000 Total energy: -31.346614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.346614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.346614 (E_RNA) where: Base-Base interactions energy: -12.217 where: short stacking energy: -12.217 Base-Backbone interact. energy: -0.001 local terms energy: -19.128853 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -3.994 flat angles C4'-P-C4' energy: -4.030 flat angles P-C4'-P energy: -4.457 tors. eta vs tors. theta energy: -1.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 149 Temperature: 1.200000 Total energy: -28.584514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.584514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.584514 (E_RNA) where: Base-Base interactions energy: -10.632 where: short stacking energy: -10.632 Base-Backbone interact. energy: -0.000 local terms energy: -17.952342 where: bonds (distance) C4'-P energy: -3.784 bonds (distance) P-C4' energy: -4.702 flat angles C4'-P-C4' energy: -4.073 flat angles P-C4'-P energy: -2.566 tors. eta vs tors. theta energy: -2.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 149 Temperature: 1.250000 Total energy: -26.254467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.254467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.254467 (E_RNA) where: Base-Base interactions energy: -8.871 where: short stacking energy: -8.871 Base-Backbone interact. energy: -0.000 local terms energy: -17.383268 where: bonds (distance) C4'-P energy: -4.041 bonds (distance) P-C4' energy: -3.854 flat angles C4'-P-C4' energy: -4.516 flat angles P-C4'-P energy: -3.145 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: 9, replica: 7 ===================================== Write number: 149 Temperature: 1.300000 Total energy: -23.778796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.778796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.778796 (E_RNA) where: Base-Base interactions energy: -5.075 where: short stacking energy: -5.075 Base-Backbone interact. energy: -0.100 local terms energy: -18.604227 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -3.561 flat angles P-C4'-P energy: -3.608 tors. eta vs tors. theta energy: -0.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 149 Temperature: 1.350000 Total energy: -27.686319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.686319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.686319 (E_RNA) where: Base-Base interactions energy: -6.545 where: short stacking energy: -6.545 Base-Backbone interact. energy: -0.038 local terms energy: -21.103030 where: bonds (distance) C4'-P energy: -4.323 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -4.429 flat angles P-C4'-P energy: -3.259 tors. eta vs tors. theta energy: -3.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 150 Temperature: 0.900000 Total energy: -38.608349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.608349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.608349 (E_RNA) where: Base-Base interactions energy: -15.191 where: short stacking energy: -15.191 Base-Backbone interact. energy: -0.000 local terms energy: -23.416872 where: bonds (distance) C4'-P energy: -4.191 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -5.801 flat angles P-C4'-P energy: -3.740 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: 2, replica: 4 ===================================== Write number: 150 Temperature: 0.950000 Total energy: -37.372129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.372129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.372129 (E_RNA) where: Base-Base interactions energy: -15.373 where: short stacking energy: -15.373 Base-Backbone interact. energy: -0.001 local terms energy: -21.997899 where: bonds (distance) C4'-P energy: -4.219 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -5.499 flat angles P-C4'-P energy: -2.230 tors. eta vs tors. theta energy: -4.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 150 Temperature: 1.000000 Total energy: -32.258503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.258503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.258503 (E_RNA) where: Base-Base interactions energy: -12.808 where: short stacking energy: -12.808 Base-Backbone interact. energy: -0.000 local terms energy: -19.450347 where: bonds (distance) C4'-P energy: -4.485 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.244 flat angles P-C4'-P energy: -2.412 tors. eta vs tors. theta energy: -1.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 150 Temperature: 1.050000 Total energy: -34.798986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.798986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.798986 (E_RNA) where: Base-Base interactions energy: -12.728 where: short stacking energy: -12.728 Base-Backbone interact. energy: -0.003 local terms energy: -22.067178 where: bonds (distance) C4'-P energy: -3.109 bonds (distance) P-C4' energy: -5.540 flat angles C4'-P-C4' energy: -4.661 flat angles P-C4'-P energy: -4.788 tors. eta vs tors. theta energy: -3.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 150 Temperature: 1.100000 Total energy: -28.611292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.611292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.611292 (E_RNA) where: Base-Base interactions energy: -8.439 where: short stacking energy: -8.439 Base-Backbone interact. energy: -0.022 local terms energy: -20.149858 where: bonds (distance) C4'-P energy: -4.227 bonds (distance) P-C4' energy: -5.286 flat angles C4'-P-C4' energy: -3.666 flat angles P-C4'-P energy: -3.275 tors. eta vs tors. theta energy: -3.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 150 Temperature: 1.150000 Total energy: -27.996253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.996253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.996253 (E_RNA) where: Base-Base interactions energy: -12.165 where: short stacking energy: -12.165 Base-Backbone interact. energy: -0.019 local terms energy: -15.812230 where: bonds (distance) C4'-P energy: 1.674 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -5.008 flat angles P-C4'-P energy: -3.024 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: 7, replica: 10 ===================================== Write number: 150 Temperature: 1.200000 Total energy: -27.319546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.319546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.319546 (E_RNA) where: Base-Base interactions energy: -9.045 where: short stacking energy: -9.045 Base-Backbone interact. energy: -0.000 local terms energy: -18.274764 where: bonds (distance) C4'-P energy: -3.731 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -3.236 flat angles P-C4'-P energy: -4.265 tors. eta vs tors. theta energy: -1.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 150 Temperature: 1.250000 Total energy: -30.113313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.113313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.113313 (E_RNA) where: Base-Base interactions energy: -11.210 where: short stacking energy: -11.210 Base-Backbone interact. energy: -0.000 local terms energy: -18.903107 where: bonds (distance) C4'-P energy: -3.951 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -3.474 flat angles P-C4'-P energy: -1.451 tors. eta vs tors. theta energy: -4.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 150 Temperature: 1.300000 Total energy: -27.256818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.256818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.256818 (E_RNA) where: Base-Base interactions energy: -10.317 where: short stacking energy: -10.317 Base-Backbone interact. energy: -0.000 local terms energy: -16.939039 where: bonds (distance) C4'-P energy: -4.716 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -3.320 flat angles P-C4'-P energy: -2.791 tors. eta vs tors. theta energy: 0.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 150 Temperature: 1.350000 Total energy: -26.305868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.305868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.305868 (E_RNA) where: Base-Base interactions energy: -6.821 where: short stacking energy: -6.821 Base-Backbone interact. energy: -0.000 local terms energy: -19.485076 where: bonds (distance) C4'-P energy: -3.536 bonds (distance) P-C4' energy: -4.427 flat angles C4'-P-C4' energy: -5.447 flat angles P-C4'-P energy: -2.793 tors. eta vs tors. theta energy: -3.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 151 Temperature: 0.900000 Total energy: -36.875972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.875972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.875972 (E_RNA) where: Base-Base interactions energy: -15.424 where: short stacking energy: -15.424 Base-Backbone interact. energy: -0.000 local terms energy: -21.451587 where: bonds (distance) C4'-P energy: -4.361 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.237 flat angles P-C4'-P energy: -2.011 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: 2, replica: 5 ===================================== Write number: 151 Temperature: 0.950000 Total energy: -31.677009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.677009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.677009 (E_RNA) where: Base-Base interactions energy: -13.228 where: short stacking energy: -13.228 Base-Backbone interact. energy: -0.009 local terms energy: -18.439556 where: bonds (distance) C4'-P energy: -4.493 bonds (distance) P-C4' energy: -4.787 flat angles C4'-P-C4' energy: -3.926 flat angles P-C4'-P energy: -3.322 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: 3, replica: 4 ===================================== Write number: 151 Temperature: 1.000000 Total energy: -28.581964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.581964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.581964 (E_RNA) where: Base-Base interactions energy: -8.240 where: short stacking energy: -8.240 Base-Backbone interact. energy: -0.099 local terms energy: -20.242522 where: bonds (distance) C4'-P energy: -3.917 bonds (distance) P-C4' energy: -4.621 flat angles C4'-P-C4' energy: -5.624 flat angles P-C4'-P energy: -3.743 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: 2 ===================================== Write number: 151 Temperature: 1.050000 Total energy: -27.519468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.519468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.519468 (E_RNA) where: Base-Base interactions energy: -8.109 where: short stacking energy: -8.109 Base-Backbone interact. energy: -0.000 local terms energy: -19.409999 where: bonds (distance) C4'-P energy: -5.391 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.279 flat angles P-C4'-P energy: -0.971 tors. eta vs tors. theta energy: -2.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 151 Temperature: 1.100000 Total energy: -25.647890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.647890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.647890 (E_RNA) where: Base-Base interactions energy: -7.160 where: short stacking energy: -7.160 Base-Backbone interact. energy: 0.387 local terms energy: -18.875162 where: bonds (distance) C4'-P energy: -4.111 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.318 flat angles P-C4'-P energy: -4.590 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: 6, replica: 9 ===================================== Write number: 151 Temperature: 1.150000 Total energy: -34.255551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.255551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.255551 (E_RNA) where: Base-Base interactions energy: -12.737 where: short stacking energy: -12.737 Base-Backbone interact. energy: -0.000 local terms energy: -21.518717 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.046 flat angles P-C4'-P energy: -2.467 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: 7, replica: 10 ===================================== Write number: 151 Temperature: 1.200000 Total energy: -30.257372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.257372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.257372 (E_RNA) where: Base-Base interactions energy: -8.964 where: short stacking energy: -8.964 Base-Backbone interact. energy: -0.000 local terms energy: -21.293566 where: bonds (distance) C4'-P energy: -4.513 bonds (distance) P-C4' energy: -3.811 flat angles C4'-P-C4' energy: -4.428 flat angles P-C4'-P energy: -3.735 tors. eta vs tors. theta energy: -4.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 151 Temperature: 1.250000 Total energy: -26.553011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.553011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.553011 (E_RNA) where: Base-Base interactions energy: -9.276 where: short stacking energy: -9.276 Base-Backbone interact. energy: -0.000 local terms energy: -17.276852 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -3.727 flat angles P-C4'-P energy: -3.372 tors. eta vs tors. theta energy: 0.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 151 Temperature: 1.300000 Total energy: -25.512782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.512782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.512782 (E_RNA) where: Base-Base interactions energy: -8.949 where: short stacking energy: -8.949 Base-Backbone interact. energy: -0.008 local terms energy: -16.556481 where: bonds (distance) C4'-P energy: -4.397 bonds (distance) P-C4' energy: -4.942 flat angles C4'-P-C4' energy: -4.117 flat angles P-C4'-P energy: -1.862 tors. eta vs tors. theta energy: -1.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 151 Temperature: 1.350000 Total energy: -27.171419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.171419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.171419 (E_RNA) where: Base-Base interactions energy: -9.609 where: short stacking energy: -9.609 Base-Backbone interact. energy: -0.038 local terms energy: -17.524766 where: bonds (distance) C4'-P energy: -3.652 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -4.496 flat angles P-C4'-P energy: -4.114 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: 152 Temperature: 0.900000 Total energy: -39.583624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.583624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.583624 (E_RNA) where: Base-Base interactions energy: -15.401 where: short stacking energy: -15.401 Base-Backbone interact. energy: -0.000 local terms energy: -24.182181 where: bonds (distance) C4'-P energy: -5.275 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -5.264 flat angles P-C4'-P energy: -3.642 tors. eta vs tors. theta energy: -4.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 152 Temperature: 0.950000 Total energy: -34.672464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.672464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.672464 (E_RNA) where: Base-Base interactions energy: -11.796 where: short stacking energy: -11.796 Base-Backbone interact. energy: -0.000 local terms energy: -22.876945 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.022 flat angles P-C4'-P energy: -3.220 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: 3, replica: 2 ===================================== Write number: 152 Temperature: 1.000000 Total energy: -34.791364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.791364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.791364 (E_RNA) where: Base-Base interactions energy: -13.920 where: short stacking energy: -11.411 Base-Backbone interact. energy: -0.007 local terms energy: -20.864305 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -4.473 flat angles C4'-P-C4' energy: -3.800 flat angles P-C4'-P energy: -4.420 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: 4, replica: 4 ===================================== Write number: 152 Temperature: 1.050000 Total energy: -33.604466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.604466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.604466 (E_RNA) where: Base-Base interactions energy: -11.928 where: short stacking energy: -11.928 Base-Backbone interact. energy: -0.000 local terms energy: -21.675954 where: bonds (distance) C4'-P energy: -3.843 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -5.545 flat angles P-C4'-P energy: -2.977 tors. eta vs tors. theta energy: -3.531 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: 5, replica: 9 ===================================== Write number: 152 Temperature: 1.100000 Total energy: -27.716902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.716902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.716902 (E_RNA) where: Base-Base interactions energy: -9.060 where: short stacking energy: -9.060 Base-Backbone interact. energy: -0.000 local terms energy: -18.656779 where: bonds (distance) C4'-P energy: -3.358 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.320 flat angles P-C4'-P energy: -2.337 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: 6, replica: 1 ===================================== Write number: 152 Temperature: 1.150000 Total energy: -28.238682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.238682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.238682 (E_RNA) where: Base-Base interactions energy: -11.766 where: short stacking energy: -11.766 Base-Backbone interact. energy: -0.024 local terms energy: -16.448254 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -3.969 flat angles C4'-P-C4' energy: -5.288 flat angles P-C4'-P energy: -2.437 tors. eta vs tors. theta energy: 0.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 152 Temperature: 1.200000 Total energy: -25.336097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.336097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.336097 (E_RNA) where: Base-Base interactions energy: -6.424 where: short stacking energy: -6.424 Base-Backbone interact. energy: -0.000 local terms energy: -18.911935 where: bonds (distance) C4'-P energy: -3.775 bonds (distance) P-C4' energy: -4.381 flat angles C4'-P-C4' energy: -4.944 flat angles P-C4'-P energy: -3.988 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: 8, replica: 10 ===================================== Write number: 152 Temperature: 1.250000 Total energy: -26.253795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.253795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.253795 (E_RNA) where: Base-Base interactions energy: -8.116 where: short stacking energy: -8.116 Base-Backbone interact. energy: -0.000 local terms energy: -18.137607 where: bonds (distance) C4'-P energy: -1.892 bonds (distance) P-C4' energy: -4.879 flat angles C4'-P-C4' energy: -2.972 flat angles P-C4'-P energy: -4.788 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: 9, replica: 7 ===================================== Write number: 152 Temperature: 1.300000 Total energy: -25.188013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.188013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.188013 (E_RNA) where: Base-Base interactions energy: -9.493 where: short stacking energy: -9.493 Base-Backbone interact. energy: -0.000 local terms energy: -15.695212 where: bonds (distance) C4'-P energy: -5.275 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -3.344 flat angles P-C4'-P energy: 0.326 tors. eta vs tors. theta energy: -1.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 152 Temperature: 1.350000 Total energy: -29.349636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.349636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.349636 (E_RNA) where: Base-Base interactions energy: -9.397 where: short stacking energy: -9.397 Base-Backbone interact. energy: -0.000 local terms energy: -19.952494 where: bonds (distance) C4'-P energy: -5.126 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -3.844 flat angles P-C4'-P energy: -2.373 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: 1, replica: 8 ===================================== Write number: 153 Temperature: 0.900000 Total energy: -37.061716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.061716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.061716 (E_RNA) where: Base-Base interactions energy: -14.714 where: short stacking energy: -14.714 Base-Backbone interact. energy: -0.001 local terms energy: -22.346814 where: bonds (distance) C4'-P energy: -5.089 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.639 flat angles P-C4'-P energy: -3.673 tors. eta vs tors. theta energy: -3.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 153 Temperature: 0.950000 Total energy: -32.782993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.782993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.782993 (E_RNA) where: Base-Base interactions energy: -11.422 where: short stacking energy: -11.422 Base-Backbone interact. energy: -0.000 local terms energy: -21.360729 where: bonds (distance) C4'-P energy: -3.135 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.782 flat angles P-C4'-P energy: -4.306 tors. eta vs tors. theta energy: -1.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 153 Temperature: 1.000000 Total energy: -35.659139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.659139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.659139 (E_RNA) where: Base-Base interactions energy: -10.547 where: short stacking energy: -10.547 Base-Backbone interact. energy: -0.000 local terms energy: -25.111800 where: bonds (distance) C4'-P energy: -4.786 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -5.220 flat angles P-C4'-P energy: -4.171 tors. eta vs tors. theta energy: -4.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 153 Temperature: 1.050000 Total energy: -31.364937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.364937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.364937 (E_RNA) where: Base-Base interactions energy: -10.712 where: short stacking energy: -10.712 Base-Backbone interact. energy: -0.072 local terms energy: -20.580908 where: bonds (distance) C4'-P energy: -4.315 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.731 flat angles P-C4'-P energy: -1.827 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: 5, replica: 4 ===================================== Write number: 153 Temperature: 1.100000 Total energy: -28.855630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.855630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.855630 (E_RNA) where: Base-Base interactions energy: -8.550 where: short stacking energy: -8.550 Base-Backbone interact. energy: -0.000 local terms energy: -20.305494 where: bonds (distance) C4'-P energy: -4.989 bonds (distance) P-C4' energy: -4.470 flat angles C4'-P-C4' energy: -2.710 flat angles P-C4'-P energy: -3.059 tors. eta vs tors. theta energy: -5.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 153 Temperature: 1.150000 Total energy: -29.223170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.223170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.223170 (E_RNA) where: Base-Base interactions energy: -11.988 where: short stacking energy: -11.988 Base-Backbone interact. energy: -0.034 local terms energy: -17.201322 where: bonds (distance) C4'-P energy: -4.415 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -2.126 flat angles P-C4'-P energy: -3.614 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: 7, replica: 1 ===================================== Write number: 153 Temperature: 1.200000 Total energy: -29.418902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.418902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.418902 (E_RNA) where: Base-Base interactions energy: -8.177 where: short stacking energy: -8.177 Base-Backbone interact. energy: -0.000 local terms energy: -21.241441 where: bonds (distance) C4'-P energy: -4.911 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -3.604 flat angles P-C4'-P energy: -2.980 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: 8, replica: 7 ===================================== Write number: 153 Temperature: 1.250000 Total energy: -30.261291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.261291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.261291 (E_RNA) where: Base-Base interactions energy: -11.844 where: short stacking energy: -11.844 Base-Backbone interact. energy: -0.000 local terms energy: -18.417566 where: bonds (distance) C4'-P energy: -3.830 bonds (distance) P-C4' energy: -3.966 flat angles C4'-P-C4' energy: -5.133 flat angles P-C4'-P energy: -2.488 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: 9, replica: 10 ===================================== Write number: 153 Temperature: 1.300000 Total energy: -28.433195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.433195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.433195 (E_RNA) where: Base-Base interactions energy: -7.519 where: short stacking energy: -7.519 Base-Backbone interact. energy: -0.000 local terms energy: -20.913749 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -4.148 flat angles P-C4'-P energy: -4.343 tors. eta vs tors. theta energy: -1.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 153 Temperature: 1.350000 Total energy: -22.084418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.084418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.084418 (E_RNA) where: Base-Base interactions energy: -6.545 where: short stacking energy: -6.545 Base-Backbone interact. energy: -0.007 local terms energy: -15.532739 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -3.017 flat angles P-C4'-P energy: -2.028 tors. eta vs tors. theta energy: 0.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 154 Temperature: 0.900000 Total energy: -40.225697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.225697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.225697 (E_RNA) where: Base-Base interactions energy: -17.008 where: short stacking energy: -17.008 Base-Backbone interact. energy: -0.000 local terms energy: -23.218028 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -4.684 flat angles C4'-P-C4' energy: -4.213 flat angles P-C4'-P energy: -4.335 tors. eta vs tors. theta energy: -4.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 154 Temperature: 0.950000 Total energy: -31.339501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.339501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.339501 (E_RNA) where: Base-Base interactions energy: -12.242 where: short stacking energy: -12.242 Base-Backbone interact. energy: -0.004 local terms energy: -19.093781 where: bonds (distance) C4'-P energy: -4.911 bonds (distance) P-C4' energy: -4.935 flat angles C4'-P-C4' energy: -2.758 flat angles P-C4'-P energy: -4.343 tors. eta vs tors. theta energy: -2.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 154 Temperature: 1.000000 Total energy: -28.542757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.542757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.542757 (E_RNA) where: Base-Base interactions energy: -11.744 where: short stacking energy: -11.744 Base-Backbone interact. energy: -0.001 local terms energy: -16.798214 where: bonds (distance) C4'-P energy: -4.343 bonds (distance) P-C4' energy: -4.187 flat angles C4'-P-C4' energy: -3.165 flat angles P-C4'-P energy: -2.581 tors. eta vs tors. theta energy: -2.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 154 Temperature: 1.050000 Total energy: -35.067265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.067265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.067265 (E_RNA) where: Base-Base interactions energy: -11.601 where: short stacking energy: -11.601 Base-Backbone interact. energy: -0.000 local terms energy: -23.465831 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.359 flat angles P-C4'-P energy: -3.657 tors. eta vs tors. theta energy: -4.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 154 Temperature: 1.100000 Total energy: -32.725058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.725058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.725058 (E_RNA) where: Base-Base interactions energy: -10.894 where: short stacking energy: -10.894 Base-Backbone interact. energy: -0.026 local terms energy: -21.804188 where: bonds (distance) C4'-P energy: -4.795 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -3.288 flat angles P-C4'-P energy: -3.997 tors. eta vs tors. theta energy: -3.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 154 Temperature: 1.150000 Total energy: -30.481168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.481168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.481168 (E_RNA) where: Base-Base interactions energy: -8.288 where: short stacking energy: -8.288 Base-Backbone interact. energy: -0.000 local terms energy: -22.192403 where: bonds (distance) C4'-P energy: -4.600 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -3.534 flat angles P-C4'-P energy: -3.936 tors. eta vs tors. theta energy: -4.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 154 Temperature: 1.200000 Total energy: -30.026272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.026272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.026272 (E_RNA) where: Base-Base interactions energy: -11.488 where: short stacking energy: -11.488 Base-Backbone interact. energy: -0.083 local terms energy: -18.455188 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -4.672 flat angles P-C4'-P energy: -3.002 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: 8, replica: 1 ===================================== Write number: 154 Temperature: 1.250000 Total energy: -27.613165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.613165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.613165 (E_RNA) where: Base-Base interactions energy: -9.551 where: short stacking energy: -9.551 Base-Backbone interact. energy: -0.000 local terms energy: -18.061873 where: bonds (distance) C4'-P energy: -4.413 bonds (distance) P-C4' energy: -4.624 flat angles C4'-P-C4' energy: -4.566 flat angles P-C4'-P energy: -1.641 tors. eta vs tors. theta energy: -2.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 154 Temperature: 1.300000 Total energy: -26.107028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.107028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.107028 (E_RNA) where: Base-Base interactions energy: -8.236 where: short stacking energy: -8.236 Base-Backbone interact. energy: -0.000 local terms energy: -17.870663 where: bonds (distance) C4'-P energy: -3.358 bonds (distance) P-C4' energy: -5.730 flat angles C4'-P-C4' energy: -4.380 flat angles P-C4'-P energy: -2.251 tors. eta vs tors. theta energy: -2.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 154 Temperature: 1.350000 Total energy: -26.167631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.167631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.167631 (E_RNA) where: Base-Base interactions energy: -8.915 where: short stacking energy: -8.915 Base-Backbone interact. energy: -0.031 local terms energy: -17.221185 where: bonds (distance) C4'-P energy: -4.124 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -4.263 flat angles P-C4'-P energy: -3.045 tors. eta vs tors. theta energy: -0.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 155 Temperature: 0.900000 Total energy: -34.655750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.655750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.655750 (E_RNA) where: Base-Base interactions energy: -11.894 where: short stacking energy: -11.894 Base-Backbone interact. energy: -0.001 local terms energy: -22.761166 where: bonds (distance) C4'-P energy: -4.513 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -5.663 flat angles P-C4'-P energy: -3.319 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: 9 ===================================== Write number: 155 Temperature: 0.950000 Total energy: -31.854122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.854122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.854122 (E_RNA) where: Base-Base interactions energy: -12.221 where: short stacking energy: -12.221 Base-Backbone interact. energy: -0.008 local terms energy: -19.625414 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -4.125 flat angles P-C4'-P energy: -3.372 tors. eta vs tors. theta energy: -1.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 155 Temperature: 1.000000 Total energy: -30.093021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.093021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.093021 (E_RNA) where: Base-Base interactions energy: -11.533 where: short stacking energy: -11.533 Base-Backbone interact. energy: -0.000 local terms energy: -18.559760 where: bonds (distance) C4'-P energy: -5.399 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -3.406 flat angles P-C4'-P energy: -0.957 tors. eta vs tors. theta energy: -2.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 155 Temperature: 1.050000 Total energy: -30.983524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.983524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.983524 (E_RNA) where: Base-Base interactions energy: -11.264 where: short stacking energy: -11.264 Base-Backbone interact. energy: -0.000 local terms energy: -19.719713 where: bonds (distance) C4'-P energy: -4.663 bonds (distance) P-C4' energy: -4.318 flat angles C4'-P-C4' energy: -3.699 flat angles P-C4'-P energy: -4.005 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: 5, replica: 2 ===================================== Write number: 155 Temperature: 1.100000 Total energy: -27.841998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.841998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.841998 (E_RNA) where: Base-Base interactions energy: -9.408 where: short stacking energy: -9.408 Base-Backbone interact. energy: -0.012 local terms energy: -18.422052 where: bonds (distance) C4'-P energy: -4.335 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -5.421 flat angles P-C4'-P energy: -3.062 tors. eta vs tors. theta energy: 0.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 155 Temperature: 1.150000 Total energy: -27.608947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.608947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.608947 (E_RNA) where: Base-Base interactions energy: -8.114 where: short stacking energy: -8.114 Base-Backbone interact. energy: -0.000 local terms energy: -19.494836 where: bonds (distance) C4'-P energy: -4.041 bonds (distance) P-C4' energy: -5.522 flat angles C4'-P-C4' energy: -3.482 flat angles P-C4'-P energy: -4.749 tors. eta vs tors. theta energy: -1.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 155 Temperature: 1.200000 Total energy: -29.014253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.014253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.014253 (E_RNA) where: Base-Base interactions energy: -9.508 where: short stacking energy: -9.508 Base-Backbone interact. energy: -0.000 local terms energy: -19.506234 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -4.709 flat angles C4'-P-C4' energy: -4.749 flat angles P-C4'-P energy: -2.516 tors. eta vs tors. theta energy: -2.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 155 Temperature: 1.250000 Total energy: -23.851453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.851453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.851453 (E_RNA) where: Base-Base interactions energy: -6.876 where: short stacking energy: -5.917 Base-Backbone interact. energy: -0.114 local terms energy: -16.861945 where: bonds (distance) C4'-P energy: -4.219 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.265 flat angles P-C4'-P energy: -2.682 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: 9, replica: 1 ===================================== Write number: 155 Temperature: 1.300000 Total energy: -28.263453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.263453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.263453 (E_RNA) where: Base-Base interactions energy: -10.046 where: short stacking energy: -10.046 Base-Backbone interact. energy: -0.007 local terms energy: -18.210507 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -3.247 flat angles P-C4'-P energy: -2.683 tors. eta vs tors. theta energy: -1.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 155 Temperature: 1.350000 Total energy: -22.830107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.830107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.830107 (E_RNA) where: Base-Base interactions energy: -4.050 where: short stacking energy: -4.050 Base-Backbone interact. energy: -0.000 local terms energy: -18.780269 where: bonds (distance) C4'-P energy: -4.786 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.662 flat angles P-C4'-P energy: -2.821 tors. eta vs tors. theta energy: -0.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 156 Temperature: 0.900000 Total energy: -34.113945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.113945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.113945 (E_RNA) where: Base-Base interactions energy: -10.360 where: short stacking energy: -10.360 Base-Backbone interact. energy: -0.090 local terms energy: -23.664657 where: bonds (distance) C4'-P energy: -4.307 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.662 flat angles P-C4'-P energy: -3.909 tors. eta vs tors. theta energy: -4.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 156 Temperature: 0.950000 Total energy: -29.261622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.261622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.261622 (E_RNA) where: Base-Base interactions energy: -8.032 where: short stacking energy: -8.032 Base-Backbone interact. energy: -0.000 local terms energy: -21.229983 where: bonds (distance) C4'-P energy: -3.251 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.451 flat angles P-C4'-P energy: -4.129 tors. eta vs tors. theta energy: -2.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 156 Temperature: 1.000000 Total energy: -32.194824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.194824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.194824 (E_RNA) where: Base-Base interactions energy: -16.176 where: short stacking energy: -16.176 Base-Backbone interact. energy: -0.000 local terms energy: -16.019176 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: 0.331 flat angles P-C4'-P energy: -3.400 tors. eta vs tors. theta energy: -2.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 156 Temperature: 1.050000 Total energy: -31.345362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.345362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.345362 (E_RNA) where: Base-Base interactions energy: -10.083 where: short stacking energy: -10.083 Base-Backbone interact. energy: -0.000 local terms energy: -21.261825 where: bonds (distance) C4'-P energy: -5.089 bonds (distance) P-C4' energy: -5.734 flat angles C4'-P-C4' energy: -4.218 flat angles P-C4'-P energy: -1.788 tors. eta vs tors. theta energy: -4.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 156 Temperature: 1.100000 Total energy: -30.673972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.673972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.673972 (E_RNA) where: Base-Base interactions energy: -7.729 where: short stacking energy: -7.729 Base-Backbone interact. energy: -0.000 local terms energy: -22.944679 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -5.305 flat angles C4'-P-C4' energy: -4.581 flat angles P-C4'-P energy: -4.408 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: 6, replica: 7 ===================================== Write number: 156 Temperature: 1.150000 Total energy: -26.996818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.996818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.996818 (E_RNA) where: Base-Base interactions energy: -9.908 where: short stacking energy: -9.908 Base-Backbone interact. energy: -0.000 local terms energy: -17.087972 where: bonds (distance) C4'-P energy: -4.165 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -5.815 flat angles P-C4'-P energy: 0.861 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: 7, replica: 6 ===================================== Write number: 156 Temperature: 1.200000 Total energy: -28.402282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.402282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.402282 (E_RNA) where: Base-Base interactions energy: -8.574 where: short stacking energy: -8.574 Base-Backbone interact. energy: 0.869 local terms energy: -20.697628 where: bonds (distance) C4'-P energy: -4.663 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.417 flat angles P-C4'-P energy: -4.171 tors. eta vs tors. theta energy: -0.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 156 Temperature: 1.250000 Total energy: -24.537737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.537737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.537737 (E_RNA) where: Base-Base interactions energy: -6.285 where: short stacking energy: -6.285 Base-Backbone interact. energy: -0.486 local terms energy: -17.767598 where: bonds (distance) C4'-P energy: -3.934 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -3.878 flat angles P-C4'-P energy: -3.526 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: 156 Temperature: 1.300000 Total energy: -25.621600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.621600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.621600 (E_RNA) where: Base-Base interactions energy: -6.830 where: short stacking energy: -6.830 Base-Backbone interact. energy: -0.004 local terms energy: -18.787332 where: bonds (distance) C4'-P energy: -4.654 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.731 flat angles P-C4'-P energy: -3.989 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: 10, replica: 1 ===================================== Write number: 156 Temperature: 1.350000 Total energy: -26.078164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.078164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.078164 (E_RNA) where: Base-Base interactions energy: -8.231 where: short stacking energy: -8.231 Base-Backbone interact. energy: -0.000 local terms energy: -17.847052 where: bonds (distance) C4'-P energy: -3.747 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -4.193 flat angles P-C4'-P energy: -3.040 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: 1, replica: 9 ===================================== Write number: 157 Temperature: 0.900000 Total energy: -35.252978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.252978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.252978 (E_RNA) where: Base-Base interactions energy: -13.510 where: short stacking energy: -13.510 Base-Backbone interact. energy: -0.002 local terms energy: -21.740853 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.621 flat angles P-C4'-P energy: -4.074 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: 2, replica: 3 ===================================== Write number: 157 Temperature: 0.950000 Total energy: -33.988000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.988000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.988000 (E_RNA) where: Base-Base interactions energy: -11.450 where: short stacking energy: -11.450 Base-Backbone interact. energy: -0.014 local terms energy: -22.524007 where: bonds (distance) C4'-P energy: -4.795 bonds (distance) P-C4' energy: -4.879 flat angles C4'-P-C4' energy: -5.570 flat angles P-C4'-P energy: -4.184 tors. eta vs tors. theta energy: -3.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 157 Temperature: 1.000000 Total energy: -36.716233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.716233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.716233 (E_RNA) where: Base-Base interactions energy: -14.917 where: short stacking energy: -14.917 Base-Backbone interact. energy: -0.000 local terms energy: -21.798556 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -4.832 flat angles C4'-P-C4' energy: -5.485 flat angles P-C4'-P energy: -2.848 tors. eta vs tors. theta energy: -3.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 157 Temperature: 1.050000 Total energy: -35.756353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.756353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.756353 (E_RNA) where: Base-Base interactions energy: -14.665 where: short stacking energy: -14.665 Base-Backbone interact. energy: -0.000 local terms energy: -21.091156 where: bonds (distance) C4'-P energy: -4.505 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -3.631 flat angles P-C4'-P energy: -3.548 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: 8 ===================================== Write number: 157 Temperature: 1.100000 Total energy: -31.975239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.975239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.975239 (E_RNA) where: Base-Base interactions energy: -13.131 where: short stacking energy: -13.131 Base-Backbone interact. energy: -0.000 local terms energy: -18.844536 where: bonds (distance) C4'-P energy: -3.792 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -3.878 flat angles P-C4'-P energy: -2.848 tors. eta vs tors. theta energy: -3.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 157 Temperature: 1.150000 Total energy: -28.151010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.151010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.151010 (E_RNA) where: Base-Base interactions energy: -8.158 where: short stacking energy: -8.158 Base-Backbone interact. energy: -0.262 local terms energy: -19.730385 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -5.007 flat angles P-C4'-P energy: -2.862 tors. eta vs tors. theta energy: -1.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 157 Temperature: 1.200000 Total energy: -25.481002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.481002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.481002 (E_RNA) where: Base-Base interactions energy: -8.014 where: short stacking energy: -8.014 Base-Backbone interact. energy: -0.166 local terms energy: -17.300674 where: bonds (distance) C4'-P energy: -4.547 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.089 flat angles P-C4'-P energy: -3.551 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: 8, replica: 4 ===================================== Write number: 157 Temperature: 1.250000 Total energy: -28.045218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.045218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.045218 (E_RNA) where: Base-Base interactions energy: -10.298 where: short stacking energy: -10.298 Base-Backbone interact. energy: -0.001 local terms energy: -17.746134 where: bonds (distance) C4'-P energy: -4.369 bonds (distance) P-C4' energy: -4.224 flat angles C4'-P-C4' energy: -3.439 flat angles P-C4'-P energy: -2.779 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: 9, replica: 10 ===================================== Write number: 157 Temperature: 1.300000 Total energy: -26.079625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.079625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.079625 (E_RNA) where: Base-Base interactions energy: -8.409 where: short stacking energy: -8.409 Base-Backbone interact. energy: -0.071 local terms energy: -17.598688 where: bonds (distance) C4'-P energy: -3.784 bonds (distance) P-C4' energy: -5.522 flat angles C4'-P-C4' energy: -3.191 flat angles P-C4'-P energy: -2.379 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: 10, replica: 1 ===================================== Write number: 157 Temperature: 1.350000 Total energy: -26.146252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.146252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.146252 (E_RNA) where: Base-Base interactions energy: -6.693 where: short stacking energy: -6.693 Base-Backbone interact. energy: -0.040 local terms energy: -19.412861 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -2.232 flat angles P-C4'-P energy: -4.242 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: 1, replica: 3 ===================================== Write number: 158 Temperature: 0.900000 Total energy: -33.363765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.363765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.363765 (E_RNA) where: Base-Base interactions energy: -9.729 where: short stacking energy: -9.729 Base-Backbone interact. energy: -0.000 local terms energy: -23.634459 where: bonds (distance) C4'-P energy: -4.132 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.122 flat angles P-C4'-P energy: -4.103 tors. eta vs tors. theta energy: -4.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 158 Temperature: 0.950000 Total energy: -35.187575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.187575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.187575 (E_RNA) where: Base-Base interactions energy: -13.680 where: short stacking energy: -13.680 Base-Backbone interact. energy: -0.093 local terms energy: -21.414307 where: bonds (distance) C4'-P energy: -4.786 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.309 flat angles P-C4'-P energy: -3.621 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: 2 ===================================== Write number: 158 Temperature: 1.000000 Total energy: -35.245696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.245696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.245696 (E_RNA) where: Base-Base interactions energy: -13.857 where: short stacking energy: -13.857 Base-Backbone interact. energy: -0.000 local terms energy: -21.388588 where: bonds (distance) C4'-P energy: -4.778 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -4.909 flat angles P-C4'-P energy: -3.068 tors. eta vs tors. theta energy: -2.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 158 Temperature: 1.050000 Total energy: -36.607078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.607078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.607078 (E_RNA) where: Base-Base interactions energy: -16.944 where: short stacking energy: -16.944 Base-Backbone interact. energy: -0.001 local terms energy: -19.661800 where: bonds (distance) C4'-P energy: -2.906 bonds (distance) P-C4' energy: -3.638 flat angles C4'-P-C4' energy: -4.964 flat angles P-C4'-P energy: -3.256 tors. eta vs tors. theta energy: -4.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 158 Temperature: 1.100000 Total energy: -29.374002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.374002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.374002 (E_RNA) where: Base-Base interactions energy: -14.435 where: short stacking energy: -10.171 Base-Backbone interact. energy: -0.000 local terms energy: -14.938743 where: bonds (distance) C4'-P energy: -4.413 bonds (distance) P-C4' energy: -3.476 flat angles C4'-P-C4' energy: -4.536 flat angles P-C4'-P energy: 0.385 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: 6, replica: 8 ===================================== Write number: 158 Temperature: 1.150000 Total energy: -31.920895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.920895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.920895 (E_RNA) where: Base-Base interactions energy: -12.778 where: short stacking energy: -12.778 Base-Backbone interact. energy: -0.000 local terms energy: -19.142345 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -4.096 flat angles C4'-P-C4' energy: -4.692 flat angles P-C4'-P energy: -4.505 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: 4 ===================================== Write number: 158 Temperature: 1.200000 Total energy: -25.988720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.988720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.988720 (E_RNA) where: Base-Base interactions energy: -8.546 where: short stacking energy: -8.546 Base-Backbone interact. energy: -0.002 local terms energy: -17.441509 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -4.092 flat angles P-C4'-P energy: -2.636 tors. eta vs tors. theta energy: 0.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 158 Temperature: 1.250000 Total energy: -27.277925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.277925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.277925 (E_RNA) where: Base-Base interactions energy: -7.583 where: short stacking energy: -7.583 Base-Backbone interact. energy: -0.000 local terms energy: -19.695229 where: bonds (distance) C4'-P energy: -4.157 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.941 flat angles P-C4'-P energy: -3.776 tors. eta vs tors. theta energy: -0.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 158 Temperature: 1.300000 Total energy: -26.073901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.073901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.073901 (E_RNA) where: Base-Base interactions energy: -9.616 where: short stacking energy: -9.616 Base-Backbone interact. energy: -0.000 local terms energy: -16.457975 where: bonds (distance) C4'-P energy: -3.180 bonds (distance) P-C4' energy: -5.463 flat angles C4'-P-C4' energy: -4.433 flat angles P-C4'-P energy: -2.489 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: 10, replica: 10 ===================================== Write number: 158 Temperature: 1.350000 Total energy: -25.705559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.705559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.705559 (E_RNA) where: Base-Base interactions energy: -6.904 where: short stacking energy: -6.904 Base-Backbone interact. energy: -0.018 local terms energy: -18.784400 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -3.602 flat angles P-C4'-P energy: -3.839 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: 3 ===================================== Write number: 159 Temperature: 0.900000 Total energy: -34.574935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.574935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.574935 (E_RNA) where: Base-Base interactions energy: -13.628 where: short stacking energy: -13.628 Base-Backbone interact. energy: -0.040 local terms energy: -20.906439 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -4.022 flat angles C4'-P-C4' energy: -5.086 flat angles P-C4'-P energy: -2.606 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: 2, replica: 2 ===================================== Write number: 159 Temperature: 0.950000 Total energy: -29.282599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.282599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.282599 (E_RNA) where: Base-Base interactions energy: -8.470 where: short stacking energy: -8.470 Base-Backbone interact. energy: -0.002 local terms energy: -20.811052 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.020 flat angles P-C4'-P energy: -4.818 tors. eta vs tors. theta energy: -1.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 159 Temperature: 1.000000 Total energy: -31.046290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.046290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.046290 (E_RNA) where: Base-Base interactions energy: -10.900 where: short stacking energy: -10.900 Base-Backbone interact. energy: -0.001 local terms energy: -20.145830 where: bonds (distance) C4'-P energy: -5.188 bonds (distance) P-C4' energy: -3.851 flat angles C4'-P-C4' energy: -4.426 flat angles P-C4'-P energy: -3.658 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: 6 ===================================== Write number: 159 Temperature: 1.050000 Total energy: -33.755932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.755932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.755932 (E_RNA) where: Base-Base interactions energy: -14.289 where: short stacking energy: -14.289 Base-Backbone interact. energy: -0.000 local terms energy: -19.466450 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.050 flat angles C4'-P-C4' energy: -3.955 flat angles P-C4'-P energy: -1.289 tors. eta vs tors. theta energy: -3.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 159 Temperature: 1.100000 Total energy: -30.399510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.399510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.399510 (E_RNA) where: Base-Base interactions energy: -11.007 where: short stacking energy: -11.007 Base-Backbone interact. energy: -0.003 local terms energy: -19.389381 where: bonds (distance) C4'-P energy: -3.792 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.499 flat angles P-C4'-P energy: -2.255 tors. eta vs tors. theta energy: -2.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 159 Temperature: 1.150000 Total energy: -28.862325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.862325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.862325 (E_RNA) where: Base-Base interactions energy: -8.421 where: short stacking energy: -8.421 Base-Backbone interact. energy: -0.012 local terms energy: -20.429806 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -4.381 flat angles C4'-P-C4' energy: -4.746 flat angles P-C4'-P energy: -4.286 tors. eta vs tors. theta energy: -1.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 159 Temperature: 1.200000 Total energy: -31.294971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.294971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.294971 (E_RNA) where: Base-Base interactions energy: -10.165 where: short stacking energy: -10.165 Base-Backbone interact. energy: -0.006 local terms energy: -21.124579 where: bonds (distance) C4'-P energy: -3.656 bonds (distance) P-C4' energy: -5.460 flat angles C4'-P-C4' energy: -4.321 flat angles P-C4'-P energy: -3.976 tors. eta vs tors. theta energy: -3.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 159 Temperature: 1.250000 Total energy: -26.917749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.917749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.917749 (E_RNA) where: Base-Base interactions energy: -10.102 where: short stacking energy: -10.102 Base-Backbone interact. energy: -0.000 local terms energy: -16.815575 where: bonds (distance) C4'-P energy: -4.369 bonds (distance) P-C4' energy: -4.832 flat angles C4'-P-C4' energy: -3.173 flat angles P-C4'-P energy: -3.408 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: 9, replica: 7 ===================================== Write number: 159 Temperature: 1.300000 Total energy: -25.837956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.837956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.837956 (E_RNA) where: Base-Base interactions energy: -5.923 where: short stacking energy: -5.923 Base-Backbone interact. energy: -0.105 local terms energy: -19.809928 where: bonds (distance) C4'-P energy: -4.795 bonds (distance) P-C4' energy: -4.599 flat angles C4'-P-C4' energy: -5.275 flat angles P-C4'-P energy: -4.449 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: 10, replica: 10 ===================================== Write number: 159 Temperature: 1.350000 Total energy: -31.373424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.373424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.373424 (E_RNA) where: Base-Base interactions energy: -8.447 where: short stacking energy: -8.447 Base-Backbone interact. energy: -0.000 local terms energy: -22.926377 where: bonds (distance) C4'-P energy: -4.513 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -5.359 flat angles P-C4'-P energy: -4.087 tors. eta vs tors. theta energy: -3.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 160 Temperature: 0.900000 Total energy: -33.376219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.376219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.376219 (E_RNA) where: Base-Base interactions energy: -12.145 where: short stacking energy: -12.145 Base-Backbone interact. energy: -0.000 local terms energy: -21.231303 where: bonds (distance) C4'-P energy: -4.423 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -4.693 flat angles P-C4'-P energy: -4.485 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: 2, replica: 3 ===================================== Write number: 160 Temperature: 0.950000 Total energy: -36.761467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.761467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.761467 (E_RNA) where: Base-Base interactions energy: -14.779 where: short stacking energy: -14.779 Base-Backbone interact. energy: -0.000 local terms energy: -21.982034 where: bonds (distance) C4'-P energy: -5.205 bonds (distance) P-C4' energy: -3.930 flat angles C4'-P-C4' energy: -5.342 flat angles P-C4'-P energy: -4.322 tors. eta vs tors. theta energy: -3.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 160 Temperature: 1.000000 Total energy: -34.285926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.285926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.285926 (E_RNA) where: Base-Base interactions energy: -11.120 where: short stacking energy: -11.120 Base-Backbone interact. energy: -0.000 local terms energy: -23.166373 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.566 flat angles C4'-P-C4' energy: -3.987 flat angles P-C4'-P energy: -4.192 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: 4, replica: 9 ===================================== Write number: 160 Temperature: 1.050000 Total energy: -31.540318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.540318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.540318 (E_RNA) where: Base-Base interactions energy: -11.016 where: short stacking energy: -11.016 Base-Backbone interact. energy: -0.005 local terms energy: -20.519521 where: bonds (distance) C4'-P energy: -3.809 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -4.131 flat angles P-C4'-P energy: -3.974 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: 4 ===================================== Write number: 160 Temperature: 1.100000 Total energy: -32.668891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.668891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.668891 (E_RNA) where: Base-Base interactions energy: -11.689 where: short stacking energy: -11.689 Base-Backbone interact. energy: -0.007 local terms energy: -20.972212 where: bonds (distance) C4'-P energy: -4.227 bonds (distance) P-C4' energy: -5.494 flat angles C4'-P-C4' energy: -5.100 flat angles P-C4'-P energy: -3.335 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: 6, replica: 5 ===================================== Write number: 160 Temperature: 1.150000 Total energy: -24.813303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.813303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.813303 (E_RNA) where: Base-Base interactions energy: -6.970 where: short stacking energy: -6.970 Base-Backbone interact. energy: -0.108 local terms energy: -17.735123 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.290 flat angles P-C4'-P energy: -3.189 tors. eta vs tors. theta energy: -0.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 160 Temperature: 1.200000 Total energy: -31.976834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.976834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.976834 (E_RNA) where: Base-Base interactions energy: -11.962 where: short stacking energy: -12.406 Base-Backbone interact. energy: -0.001 local terms energy: -20.014348 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -2.887 flat angles P-C4'-P energy: -4.493 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: 8, replica: 8 ===================================== Write number: 160 Temperature: 1.250000 Total energy: -26.585328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.585328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.585328 (E_RNA) where: Base-Base interactions energy: -8.562 where: short stacking energy: -8.562 Base-Backbone interact. energy: -0.001 local terms energy: -18.022560 where: bonds (distance) C4'-P energy: -3.871 bonds (distance) P-C4' energy: -4.832 flat angles C4'-P-C4' energy: -3.423 flat angles P-C4'-P energy: -3.316 tors. eta vs tors. theta energy: -2.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 160 Temperature: 1.300000 Total energy: -29.094485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.094485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.094485 (E_RNA) where: Base-Base interactions energy: -7.374 where: short stacking energy: -7.374 Base-Backbone interact. energy: -0.097 local terms energy: -21.623508 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.540 flat angles C4'-P-C4' energy: -5.010 flat angles P-C4'-P energy: -3.188 tors. eta vs tors. theta energy: -2.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 160 Temperature: 1.350000 Total energy: -27.400351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.400351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.400351 (E_RNA) where: Base-Base interactions energy: -11.541 where: short stacking energy: -11.541 Base-Backbone interact. energy: -0.004 local terms energy: -15.855020 where: bonds (distance) C4'-P energy: -3.056 bonds (distance) P-C4' energy: -3.956 flat angles C4'-P-C4' energy: -2.546 flat angles P-C4'-P energy: -2.061 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: 2 ===================================== Write number: 161 Temperature: 0.900000 Total energy: -32.337332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.337332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.337332 (E_RNA) where: Base-Base interactions energy: -12.493 where: short stacking energy: -12.493 Base-Backbone interact. energy: -0.020 local terms energy: -19.823690 where: bonds (distance) C4'-P energy: -3.350 bonds (distance) P-C4' energy: -4.448 flat angles C4'-P-C4' energy: -5.206 flat angles P-C4'-P energy: -3.024 tors. eta vs tors. theta energy: -3.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 161 Temperature: 0.950000 Total energy: -32.202444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.202444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.202444 (E_RNA) where: Base-Base interactions energy: -11.749 where: short stacking energy: -11.749 Base-Backbone interact. energy: -0.000 local terms energy: -20.453226 where: bonds (distance) C4'-P energy: -4.191 bonds (distance) P-C4' energy: -5.759 flat angles C4'-P-C4' energy: -4.079 flat angles P-C4'-P energy: -3.779 tors. eta vs tors. theta energy: -2.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 161 Temperature: 1.000000 Total energy: -31.704336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.704336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.704336 (E_RNA) where: Base-Base interactions energy: -8.951 where: short stacking energy: -8.951 Base-Backbone interact. energy: -0.000 local terms energy: -22.753639 where: bonds (distance) C4'-P energy: -4.413 bonds (distance) P-C4' energy: -4.618 flat angles C4'-P-C4' energy: -4.170 flat angles P-C4'-P energy: -4.272 tors. eta vs tors. theta energy: -5.281 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: 4 ===================================== Write number: 161 Temperature: 1.050000 Total energy: -32.011855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.011855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.011855 (E_RNA) where: Base-Base interactions energy: -11.017 where: short stacking energy: -11.017 Base-Backbone interact. energy: -0.010 local terms energy: -20.985123 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -4.780 flat angles P-C4'-P energy: -3.016 tors. eta vs tors. theta energy: -2.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 161 Temperature: 1.100000 Total energy: -26.536656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.536656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.536656 (E_RNA) where: Base-Base interactions energy: -7.462 where: short stacking energy: -7.462 Base-Backbone interact. energy: -0.088 local terms energy: -18.987231 where: bonds (distance) C4'-P energy: -3.598 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.518 flat angles P-C4'-P energy: -3.147 tors. eta vs tors. theta energy: -1.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 161 Temperature: 1.150000 Total energy: -32.801177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.801177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.801177 (E_RNA) where: Base-Base interactions energy: -11.396 where: short stacking energy: -11.396 Base-Backbone interact. energy: -0.000 local terms energy: -21.404958 where: bonds (distance) C4'-P energy: -5.498 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.364 flat angles P-C4'-P energy: -3.523 tors. eta vs tors. theta energy: -1.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 161 Temperature: 1.200000 Total energy: -30.787852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.787852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.787852 (E_RNA) where: Base-Base interactions energy: -11.065 where: short stacking energy: -11.065 Base-Backbone interact. energy: -0.001 local terms energy: -19.721873 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -4.688 flat angles C4'-P-C4' energy: -4.799 flat angles P-C4'-P energy: -3.746 tors. eta vs tors. theta energy: -1.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 161 Temperature: 1.250000 Total energy: -27.159533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.159533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.159533 (E_RNA) where: Base-Base interactions energy: -6.926 where: short stacking energy: -6.926 Base-Backbone interact. energy: -0.032 local terms energy: -20.201838 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -4.925 flat angles P-C4'-P energy: -3.696 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: 9, replica: 10 ===================================== Write number: 161 Temperature: 1.300000 Total energy: -26.340326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.340326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.340326 (E_RNA) where: Base-Base interactions energy: -7.766 where: short stacking energy: -7.766 Base-Backbone interact. energy: -0.000 local terms energy: -18.574226 where: bonds (distance) C4'-P energy: -3.404 bonds (distance) P-C4' energy: -4.519 flat angles C4'-P-C4' energy: -4.795 flat angles P-C4'-P energy: -3.712 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: 161 Temperature: 1.350000 Total energy: -32.188917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.188917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.188917 (E_RNA) where: Base-Base interactions energy: -12.027 where: short stacking energy: -12.027 Base-Backbone interact. energy: -0.000 local terms energy: -20.161929 where: bonds (distance) C4'-P energy: -4.795 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.096 flat angles P-C4'-P energy: -1.974 tors. eta vs tors. theta energy: -3.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 162 Temperature: 0.900000 Total energy: -39.860858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.860858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.860858 (E_RNA) where: Base-Base interactions energy: -15.428 where: short stacking energy: -15.428 Base-Backbone interact. energy: -0.000 local terms energy: -24.432636 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.076 flat angles P-C4'-P energy: -3.279 tors. eta vs tors. theta energy: -6.354 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: 6 ===================================== Write number: 162 Temperature: 0.950000 Total energy: -34.664662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.664662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.664662 (E_RNA) where: Base-Base interactions energy: -11.704 where: short stacking energy: -11.704 Base-Backbone interact. energy: -0.000 local terms energy: -22.960463 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.606 flat angles P-C4'-P energy: -3.906 tors. eta vs tors. theta energy: -4.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 162 Temperature: 1.000000 Total energy: -30.078735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.078735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.078735 (E_RNA) where: Base-Base interactions energy: -11.338 where: short stacking energy: -11.338 Base-Backbone interact. energy: -0.000 local terms energy: -18.740652 where: bonds (distance) C4'-P energy: -4.099 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -3.354 flat angles P-C4'-P energy: -3.811 tors. eta vs tors. theta energy: -1.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 162 Temperature: 1.050000 Total energy: -34.045153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.045153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.045153 (E_RNA) where: Base-Base interactions energy: -12.179 where: short stacking energy: -12.179 Base-Backbone interact. energy: -0.000 local terms energy: -21.866611 where: bonds (distance) C4'-P energy: -4.377 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.780 flat angles P-C4'-P energy: -2.325 tors. eta vs tors. theta energy: -4.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 162 Temperature: 1.100000 Total energy: -28.440030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.440030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.440030 (E_RNA) where: Base-Base interactions energy: -10.465 where: short stacking energy: -10.465 Base-Backbone interact. energy: -0.000 local terms energy: -17.974541 where: bonds (distance) C4'-P energy: -3.046 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.762 flat angles P-C4'-P energy: -1.106 tors. eta vs tors. theta energy: -2.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 162 Temperature: 1.150000 Total energy: -25.789863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.789863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.789863 (E_RNA) where: Base-Base interactions energy: -7.893 where: short stacking energy: -7.893 Base-Backbone interact. energy: -1.039 local terms energy: -16.858000 where: bonds (distance) C4'-P energy: -4.181 bonds (distance) P-C4' energy: -4.448 flat angles C4'-P-C4' energy: -3.776 flat angles P-C4'-P energy: -3.201 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: 7, replica: 8 ===================================== Write number: 162 Temperature: 1.200000 Total energy: -29.899471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.899471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.899471 (E_RNA) where: Base-Base interactions energy: -10.135 where: short stacking energy: -10.135 Base-Backbone interact. energy: -0.000 local terms energy: -19.763918 where: bonds (distance) C4'-P energy: -4.413 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -5.259 flat angles P-C4'-P energy: -3.702 tors. eta vs tors. theta energy: -0.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 162 Temperature: 1.250000 Total energy: -26.676878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.676878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.676878 (E_RNA) where: Base-Base interactions energy: -8.704 where: short stacking energy: -8.704 Base-Backbone interact. energy: -0.000 local terms energy: -17.972613 where: bonds (distance) C4'-P energy: -4.795 bonds (distance) P-C4' energy: -4.875 flat angles C4'-P-C4' energy: -4.448 flat angles P-C4'-P energy: -3.329 tors. eta vs tors. theta energy: -0.526 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: 162 Temperature: 1.300000 Total energy: -30.288015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.288015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.288015 (E_RNA) where: Base-Base interactions energy: -10.410 where: short stacking energy: -10.410 Base-Backbone interact. energy: -0.005 local terms energy: -19.873099 where: bonds (distance) C4'-P energy: -2.588 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -4.352 flat angles P-C4'-P energy: -3.049 tors. eta vs tors. theta energy: -4.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 162 Temperature: 1.350000 Total energy: -26.322873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.322873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.322873 (E_RNA) where: Base-Base interactions energy: -9.305 where: short stacking energy: -9.305 Base-Backbone interact. energy: -0.000 local terms energy: -17.017301 where: bonds (distance) C4'-P energy: -3.544 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -4.918 flat angles P-C4'-P energy: -1.214 tors. eta vs tors. theta energy: -2.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 163 Temperature: 0.900000 Total energy: -38.931444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.931444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.931444 (E_RNA) where: Base-Base interactions energy: -16.782 where: short stacking energy: -16.782 Base-Backbone interact. energy: -0.007 local terms energy: -22.142485 where: bonds (distance) C4'-P energy: -4.778 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -4.620 flat angles P-C4'-P energy: -4.109 tors. eta vs tors. theta energy: -2.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 163 Temperature: 0.950000 Total energy: -30.844930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.844930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.844930 (E_RNA) where: Base-Base interactions energy: -9.261 where: short stacking energy: -9.261 Base-Backbone interact. energy: -0.000 local terms energy: -21.584134 where: bonds (distance) C4'-P energy: -3.607 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -1.667 flat angles P-C4'-P energy: -4.844 tors. eta vs tors. theta energy: -5.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 163 Temperature: 1.000000 Total energy: -31.459949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.459949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.459949 (E_RNA) where: Base-Base interactions energy: -13.331 where: short stacking energy: -13.331 Base-Backbone interact. energy: -0.023 local terms energy: -18.106206 where: bonds (distance) C4'-P energy: -2.799 bonds (distance) P-C4' energy: -5.298 flat angles C4'-P-C4' energy: -4.549 flat angles P-C4'-P energy: -4.571 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: 1 ===================================== Write number: 163 Temperature: 1.050000 Total energy: -33.961450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.961450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.961450 (E_RNA) where: Base-Base interactions energy: -11.576 where: short stacking energy: -11.576 Base-Backbone interact. energy: -0.113 local terms energy: -22.272182 where: bonds (distance) C4'-P energy: -4.555 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.478 flat angles P-C4'-P energy: -4.390 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: 4 ===================================== Write number: 163 Temperature: 1.100000 Total energy: -31.717821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.717821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.717821 (E_RNA) where: Base-Base interactions energy: -10.959 where: short stacking energy: -10.959 Base-Backbone interact. energy: -0.000 local terms energy: -20.758619 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -4.267 flat angles P-C4'-P energy: -3.847 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: 6, replica: 8 ===================================== Write number: 163 Temperature: 1.150000 Total energy: -32.404840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.404840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.404840 (E_RNA) where: Base-Base interactions energy: -13.728 where: short stacking energy: -13.728 Base-Backbone interact. energy: -0.000 local terms energy: -18.677264 where: bonds (distance) C4'-P energy: -3.056 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -2.921 flat angles P-C4'-P energy: -3.112 tors. eta vs tors. theta energy: -3.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 163 Temperature: 1.200000 Total energy: -30.365283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.365283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.365283 (E_RNA) where: Base-Base interactions energy: -9.221 where: short stacking energy: -9.221 Base-Backbone interact. energy: -0.000 local terms energy: -21.144357 where: bonds (distance) C4'-P energy: -4.025 bonds (distance) P-C4' energy: -5.526 flat angles C4'-P-C4' energy: -4.549 flat angles P-C4'-P energy: -4.292 tors. eta vs tors. theta energy: -2.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 163 Temperature: 1.250000 Total energy: -28.817582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.817582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.817582 (E_RNA) where: Base-Base interactions energy: -11.860 where: short stacking energy: -11.860 Base-Backbone interact. energy: -0.000 local terms energy: -16.957853 where: bonds (distance) C4'-P energy: -3.135 bonds (distance) P-C4' energy: -4.473 flat angles C4'-P-C4' energy: -3.386 flat angles P-C4'-P energy: -3.636 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: 9, replica: 5 ===================================== Write number: 163 Temperature: 1.300000 Total energy: -29.620940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.620940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.620940 (E_RNA) where: Base-Base interactions energy: -9.684 where: short stacking energy: -9.684 Base-Backbone interact. energy: -0.000 local terms energy: -19.937358 where: bonds (distance) C4'-P energy: -4.787 bonds (distance) P-C4' energy: -5.516 flat angles C4'-P-C4' energy: -3.482 flat angles P-C4'-P energy: -3.268 tors. eta vs tors. theta energy: -2.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 163 Temperature: 1.350000 Total energy: -26.095432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.095432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.095432 (E_RNA) where: Base-Base interactions energy: -12.105 where: short stacking energy: -12.105 Base-Backbone interact. energy: -0.000 local terms energy: -13.990396 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -2.840 flat angles C4'-P-C4' energy: -4.984 flat angles P-C4'-P energy: 1.275 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: 164 Temperature: 0.900000 Total energy: -31.540557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.540557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.540557 (E_RNA) where: Base-Base interactions energy: -12.442 where: short stacking energy: -12.442 Base-Backbone interact. energy: -0.099 local terms energy: -18.999798 where: bonds (distance) C4'-P energy: -4.485 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -3.124 flat angles P-C4'-P energy: -3.852 tors. eta vs tors. theta energy: -1.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 164 Temperature: 0.950000 Total energy: -35.322025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.322025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.322025 (E_RNA) where: Base-Base interactions energy: -14.501 where: short stacking energy: -14.501 Base-Backbone interact. energy: -0.000 local terms energy: -20.820707 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -3.631 flat angles P-C4'-P energy: -2.356 tors. eta vs tors. theta energy: -4.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 164 Temperature: 1.000000 Total energy: -32.267887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.267887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.267887 (E_RNA) where: Base-Base interactions energy: -9.992 where: short stacking energy: -9.992 Base-Backbone interact. energy: -0.000 local terms energy: -22.275878 where: bonds (distance) C4'-P energy: -3.899 bonds (distance) P-C4' energy: -5.762 flat angles C4'-P-C4' energy: -4.169 flat angles P-C4'-P energy: -4.306 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: 4, replica: 1 ===================================== Write number: 164 Temperature: 1.050000 Total energy: -28.709601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.709601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.709601 (E_RNA) where: Base-Base interactions energy: -7.060 where: short stacking energy: -7.060 Base-Backbone interact. energy: -0.104 local terms energy: -21.545073 where: bonds (distance) C4'-P energy: -4.421 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.672 flat angles P-C4'-P energy: -3.266 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: 164 Temperature: 1.100000 Total energy: -31.745385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.745385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.745385 (E_RNA) where: Base-Base interactions energy: -11.411 where: short stacking energy: -11.411 Base-Backbone interact. energy: -0.015 local terms energy: -20.319683 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -5.131 flat angles P-C4'-P energy: -2.788 tors. eta vs tors. theta energy: -2.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 164 Temperature: 1.150000 Total energy: -25.239202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.239202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.239202 (E_RNA) where: Base-Base interactions energy: -7.680 where: short stacking energy: -7.680 Base-Backbone interact. energy: -0.177 local terms energy: -17.382350 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -4.621 flat angles C4'-P-C4' energy: -4.891 flat angles P-C4'-P energy: -1.521 tors. eta vs tors. theta energy: -1.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 164 Temperature: 1.200000 Total energy: -28.381917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.381917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.381917 (E_RNA) where: Base-Base interactions energy: -8.699 where: short stacking energy: -8.699 Base-Backbone interact. energy: -0.003 local terms energy: -19.680465 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -5.607 flat angles P-C4'-P energy: -1.891 tors. eta vs tors. theta energy: -2.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 164 Temperature: 1.250000 Total energy: -24.852397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.852397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.852397 (E_RNA) where: Base-Base interactions energy: -8.021 where: short stacking energy: -8.021 Base-Backbone interact. energy: -0.006 local terms energy: -16.825002 where: bonds (distance) C4'-P energy: -3.764 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -3.782 flat angles P-C4'-P energy: -1.945 tors. eta vs tors. theta energy: -1.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 164 Temperature: 1.300000 Total energy: -27.582914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.582914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.582914 (E_RNA) where: Base-Base interactions energy: -7.983 where: short stacking energy: -7.983 Base-Backbone interact. energy: -0.033 local terms energy: -19.566353 where: bonds (distance) C4'-P energy: -3.809 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -5.538 flat angles P-C4'-P energy: -2.621 tors. eta vs tors. theta energy: -1.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 164 Temperature: 1.350000 Total energy: -26.386650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.386650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.386650 (E_RNA) where: Base-Base interactions energy: -14.084 where: short stacking energy: -14.084 Base-Backbone interact. energy: -0.000 local terms energy: -12.302738 where: bonds (distance) C4'-P energy: -1.900 bonds (distance) P-C4' energy: -3.264 flat angles C4'-P-C4' energy: -0.775 flat angles P-C4'-P energy: -3.655 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: 1, replica: 3 ===================================== Write number: 165 Temperature: 0.900000 Total energy: -32.329542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.329542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.329542 (E_RNA) where: Base-Base interactions energy: -10.185 where: short stacking energy: -10.185 Base-Backbone interact. energy: -0.011 local terms energy: -22.133650 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.566 flat angles P-C4'-P energy: -3.069 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: 165 Temperature: 0.950000 Total energy: -30.326391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.326391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.326391 (E_RNA) where: Base-Base interactions energy: -9.997 where: short stacking energy: -9.997 Base-Backbone interact. energy: -0.003 local terms energy: -20.326296 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.035 flat angles P-C4'-P energy: -2.729 tors. eta vs tors. theta energy: -2.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 165 Temperature: 1.000000 Total energy: -38.723810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.723810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.723810 (E_RNA) where: Base-Base interactions energy: -16.951 where: short stacking energy: -16.951 Base-Backbone interact. energy: -0.000 local terms energy: -21.772471 where: bonds (distance) C4'-P energy: -4.903 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.912 flat angles P-C4'-P energy: -3.991 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: 4, replica: 4 ===================================== Write number: 165 Temperature: 1.050000 Total energy: -28.374830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.374830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.374830 (E_RNA) where: Base-Base interactions energy: -13.208 where: short stacking energy: -13.208 Base-Backbone interact. energy: -0.103 local terms energy: -15.064294 where: bonds (distance) C4'-P energy: -2.993 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -3.407 flat angles P-C4'-P energy: -1.422 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: 5, replica: 1 ===================================== Write number: 165 Temperature: 1.100000 Total energy: -28.275184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.275184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.275184 (E_RNA) where: Base-Base interactions energy: -10.774 where: short stacking energy: -10.774 Base-Backbone interact. energy: -0.012 local terms energy: -17.489431 where: bonds (distance) C4'-P energy: -3.777 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -1.995 flat angles P-C4'-P energy: -2.244 tors. eta vs tors. theta energy: -4.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 165 Temperature: 1.150000 Total energy: -29.368616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.368616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.368616 (E_RNA) where: Base-Base interactions energy: -9.928 where: short stacking energy: -9.928 Base-Backbone interact. energy: -0.000 local terms energy: -19.440374 where: bonds (distance) C4'-P energy: -2.791 bonds (distance) P-C4' energy: -4.709 flat angles C4'-P-C4' energy: -4.380 flat angles P-C4'-P energy: -3.874 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: 7, replica: 8 ===================================== Write number: 165 Temperature: 1.200000 Total energy: -26.455097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.455097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.455097 (E_RNA) where: Base-Base interactions energy: -8.169 where: short stacking energy: -8.169 Base-Backbone interact. energy: -0.014 local terms energy: -18.271747 where: bonds (distance) C4'-P energy: -4.571 bonds (distance) P-C4' energy: -4.480 flat angles C4'-P-C4' energy: -4.467 flat angles P-C4'-P energy: -4.133 tors. eta vs tors. theta energy: -0.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 165 Temperature: 1.250000 Total energy: -23.797112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.797112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.797112 (E_RNA) where: Base-Base interactions energy: -3.841 where: short stacking energy: -4.259 Base-Backbone interact. energy: -0.045 local terms energy: -19.910595 where: bonds (distance) C4'-P energy: -5.010 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -5.487 flat angles P-C4'-P energy: -1.979 tors. eta vs tors. theta energy: -1.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 165 Temperature: 1.300000 Total energy: -30.324603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.324603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.324603 (E_RNA) where: Base-Base interactions energy: -12.100 where: short stacking energy: -12.100 Base-Backbone interact. energy: -0.000 local terms energy: -18.224627 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -4.832 flat angles C4'-P-C4' energy: -2.043 flat angles P-C4'-P energy: -3.820 tors. eta vs tors. theta energy: -2.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 165 Temperature: 1.350000 Total energy: -25.441052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.441052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.441052 (E_RNA) where: Base-Base interactions energy: -3.469 where: short stacking energy: -3.469 Base-Backbone interact. energy: -0.000 local terms energy: -21.971752 where: bonds (distance) C4'-P energy: -4.840 bonds (distance) P-C4' energy: -4.672 flat angles C4'-P-C4' energy: -5.646 flat angles P-C4'-P energy: -4.273 tors. eta vs tors. theta energy: -2.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 166 Temperature: 0.900000 Total energy: -32.986516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.986516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.986516 (E_RNA) where: Base-Base interactions energy: -11.251 where: short stacking energy: -11.251 Base-Backbone interact. energy: -0.095 local terms energy: -21.639994 where: bonds (distance) C4'-P energy: -4.563 bonds (distance) P-C4' energy: -5.298 flat angles C4'-P-C4' energy: -4.380 flat angles P-C4'-P energy: -3.243 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: 2, replica: 6 ===================================== Write number: 166 Temperature: 0.950000 Total energy: -34.929408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.929408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.929408 (E_RNA) where: Base-Base interactions energy: -14.524 where: short stacking energy: -14.524 Base-Backbone interact. energy: -0.000 local terms energy: -20.404628 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -3.262 flat angles C4'-P-C4' energy: -3.850 flat angles P-C4'-P energy: -3.833 tors. eta vs tors. theta energy: -3.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 166 Temperature: 1.000000 Total energy: -36.089617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.089617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.089617 (E_RNA) where: Base-Base interactions energy: -13.067 where: short stacking energy: -13.067 Base-Backbone interact. energy: -0.000 local terms energy: -23.022217 where: bonds (distance) C4'-P energy: -3.644 bonds (distance) P-C4' energy: -5.494 flat angles C4'-P-C4' energy: -5.400 flat angles P-C4'-P energy: -3.391 tors. eta vs tors. theta energy: -5.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 166 Temperature: 1.050000 Total energy: -30.612939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.612939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.612939 (E_RNA) where: Base-Base interactions energy: -12.165 where: short stacking energy: -12.165 Base-Backbone interact. energy: -0.000 local terms energy: -18.447752 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -4.550 flat angles C4'-P-C4' energy: -1.874 flat angles P-C4'-P energy: -4.850 tors. eta vs tors. theta energy: -2.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 166 Temperature: 1.100000 Total energy: -30.301064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.301064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.301064 (E_RNA) where: Base-Base interactions energy: -8.158 where: short stacking energy: -8.158 Base-Backbone interact. energy: -0.000 local terms energy: -22.142749 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -3.474 flat angles P-C4'-P energy: -4.122 tors. eta vs tors. theta energy: -3.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 166 Temperature: 1.150000 Total energy: -30.691892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.691892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.691892 (E_RNA) where: Base-Base interactions energy: -10.398 where: short stacking energy: -10.398 Base-Backbone interact. energy: -0.006 local terms energy: -20.288697 where: bonds (distance) C4'-P energy: -3.706 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.681 flat angles P-C4'-P energy: -3.762 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: 7, replica: 10 ===================================== Write number: 166 Temperature: 1.200000 Total energy: -26.520930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.520930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.520930 (E_RNA) where: Base-Base interactions energy: -5.804 where: short stacking energy: -5.804 Base-Backbone interact. energy: -0.004 local terms energy: -20.713355 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -4.709 flat angles C4'-P-C4' energy: -5.076 flat angles P-C4'-P energy: -2.800 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: 8, replica: 8 ===================================== Write number: 166 Temperature: 1.250000 Total energy: -26.027619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.027619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.027619 (E_RNA) where: Base-Base interactions energy: -7.939 where: short stacking energy: -7.939 Base-Backbone interact. energy: -0.003 local terms energy: -18.086028 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -4.573 flat angles P-C4'-P energy: -3.528 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: 9, replica: 5 ===================================== Write number: 166 Temperature: 1.300000 Total energy: -27.157781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.157781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.157781 (E_RNA) where: Base-Base interactions energy: -12.067 where: short stacking energy: -12.067 Base-Backbone interact. energy: -0.001 local terms energy: -15.090242 where: bonds (distance) C4'-P energy: -3.466 bonds (distance) P-C4' energy: -4.060 flat angles C4'-P-C4' energy: -3.195 flat angles P-C4'-P energy: -0.244 tors. eta vs tors. theta energy: -4.126 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: 9 ===================================== Write number: 166 Temperature: 1.350000 Total energy: -26.407988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.407988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.407988 (E_RNA) where: Base-Base interactions energy: -5.849 where: short stacking energy: -5.849 Base-Backbone interact. energy: -0.017 local terms energy: -20.542528 where: bonds (distance) C4'-P energy: -3.482 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.459 flat angles P-C4'-P energy: -4.505 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: 1, replica: 3 ===================================== Write number: 167 Temperature: 0.900000 Total energy: -37.032347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.032347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.032347 (E_RNA) where: Base-Base interactions energy: -15.461 where: short stacking energy: -15.461 Base-Backbone interact. energy: -0.024 local terms energy: -21.547341 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -4.342 flat angles P-C4'-P energy: -2.679 tors. eta vs tors. theta energy: -3.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 167 Temperature: 0.950000 Total energy: -38.135995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.135995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.135995 (E_RNA) where: Base-Base interactions energy: -15.059 where: short stacking energy: -15.059 Base-Backbone interact. energy: -0.006 local terms energy: -23.070634 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -3.774 flat angles P-C4'-P energy: -3.607 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: 3, replica: 6 ===================================== Write number: 167 Temperature: 1.000000 Total energy: -31.537703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.537703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.537703 (E_RNA) where: Base-Base interactions energy: -11.161 where: short stacking energy: -11.161 Base-Backbone interact. energy: -0.000 local terms energy: -20.376527 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -3.249 flat angles P-C4'-P energy: -3.303 tors. eta vs tors. theta energy: -2.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 167 Temperature: 1.050000 Total energy: -29.712066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.712066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.712066 (E_RNA) where: Base-Base interactions energy: -10.844 where: short stacking energy: -10.844 Base-Backbone interact. energy: -0.083 local terms energy: -18.784949 where: bonds (distance) C4'-P energy: -4.865 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.700 flat angles P-C4'-P energy: -2.941 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: 5, replica: 2 ===================================== Write number: 167 Temperature: 1.100000 Total energy: -26.102323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.102323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.102323 (E_RNA) where: Base-Base interactions energy: -5.606 where: short stacking energy: -5.606 Base-Backbone interact. energy: -0.096 local terms energy: -20.400680 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -4.624 flat angles P-C4'-P energy: -1.441 tors. eta vs tors. theta energy: -3.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 167 Temperature: 1.150000 Total energy: -27.230191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.230191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.230191 (E_RNA) where: Base-Base interactions energy: -9.197 where: short stacking energy: -9.197 Base-Backbone interact. energy: -0.029 local terms energy: -18.004093 where: bonds (distance) C4'-P energy: -4.637 bonds (distance) P-C4' energy: -4.688 flat angles C4'-P-C4' energy: -4.673 flat angles P-C4'-P energy: -3.273 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: 7, replica: 1 ===================================== Write number: 167 Temperature: 1.200000 Total energy: -24.049625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.049625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.049625 (E_RNA) where: Base-Base interactions energy: -4.683 where: short stacking energy: -4.683 Base-Backbone interact. energy: -0.000 local terms energy: -19.366410 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -3.555 flat angles P-C4'-P energy: -3.083 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: 5 ===================================== Write number: 167 Temperature: 1.250000 Total energy: -29.254038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.254038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.254038 (E_RNA) where: Base-Base interactions energy: -7.643 where: short stacking energy: -7.643 Base-Backbone interact. energy: -0.007 local terms energy: -21.604390 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.724 flat angles C4'-P-C4' energy: -5.500 flat angles P-C4'-P energy: -2.998 tors. eta vs tors. theta energy: -2.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 167 Temperature: 1.300000 Total energy: -27.882234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.882234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.882234 (E_RNA) where: Base-Base interactions energy: -9.385 where: short stacking energy: -9.385 Base-Backbone interact. energy: -0.000 local terms energy: -18.496796 where: bonds (distance) C4'-P energy: -3.900 bonds (distance) P-C4' energy: -5.231 flat angles C4'-P-C4' energy: -4.555 flat angles P-C4'-P energy: -3.065 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: 10, replica: 9 ===================================== Write number: 167 Temperature: 1.350000 Total energy: -27.615224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.615224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.615224 (E_RNA) where: Base-Base interactions energy: -8.470 where: short stacking energy: -8.470 Base-Backbone interact. energy: -0.040 local terms energy: -19.105057 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -4.452 flat angles C4'-P-C4' energy: -4.439 flat angles P-C4'-P energy: -2.984 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: 1, replica: 4 ===================================== Write number: 168 Temperature: 0.900000 Total energy: -38.723052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.723052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.723052 (E_RNA) where: Base-Base interactions energy: -15.083 where: short stacking energy: -15.083 Base-Backbone interact. energy: -0.000 local terms energy: -23.639965 where: bonds (distance) C4'-P energy: -3.784 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -5.678 flat angles P-C4'-P energy: -3.116 tors. eta vs tors. theta energy: -5.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 168 Temperature: 0.950000 Total energy: -33.053597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.053597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.053597 (E_RNA) where: Base-Base interactions energy: -10.480 where: short stacking energy: -10.480 Base-Backbone interact. energy: -0.000 local terms energy: -22.573331 where: bonds (distance) C4'-P energy: -4.431 bonds (distance) P-C4' energy: -4.835 flat angles C4'-P-C4' energy: -5.648 flat angles P-C4'-P energy: -3.244 tors. eta vs tors. theta energy: -4.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 168 Temperature: 1.000000 Total energy: -35.635633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.635633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.635633 (E_RNA) where: Base-Base interactions energy: -15.500 where: short stacking energy: -15.500 Base-Backbone interact. energy: -0.001 local terms energy: -20.134747 where: bonds (distance) C4'-P energy: -3.632 bonds (distance) P-C4' energy: -5.783 flat angles C4'-P-C4' energy: -5.782 flat angles P-C4'-P energy: -2.193 tors. eta vs tors. theta energy: -2.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 168 Temperature: 1.050000 Total energy: -31.166587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.166587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.166587 (E_RNA) where: Base-Base interactions energy: -11.694 where: short stacking energy: -11.694 Base-Backbone interact. energy: -0.000 local terms energy: -19.472277 where: bonds (distance) C4'-P energy: -2.957 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.793 flat angles P-C4'-P energy: -2.504 tors. eta vs tors. theta energy: -3.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 168 Temperature: 1.100000 Total energy: -32.132577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.132577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.132577 (E_RNA) where: Base-Base interactions energy: -10.727 where: short stacking energy: -10.727 Base-Backbone interact. energy: -0.000 local terms energy: -21.405086 where: bonds (distance) C4'-P energy: -4.865 bonds (distance) P-C4' energy: -5.470 flat angles C4'-P-C4' energy: -4.399 flat angles P-C4'-P energy: -3.408 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: 2 ===================================== Write number: 168 Temperature: 1.150000 Total energy: -28.735086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.735086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.735086 (E_RNA) where: Base-Base interactions energy: -11.965 where: short stacking energy: -11.965 Base-Backbone interact. energy: -0.033 local terms energy: -16.737135 where: bonds (distance) C4'-P energy: -3.544 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -3.781 flat angles P-C4'-P energy: -1.687 tors. eta vs tors. theta energy: -2.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 168 Temperature: 1.200000 Total energy: -27.064015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.064015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.064015 (E_RNA) where: Base-Base interactions energy: -6.323 where: short stacking energy: -6.323 Base-Backbone interact. energy: -0.000 local terms energy: -20.741400 where: bonds (distance) C4'-P energy: -4.157 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.658 flat angles P-C4'-P energy: -3.603 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: 8, replica: 1 ===================================== Write number: 168 Temperature: 1.250000 Total energy: -26.052236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.052236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.052236 (E_RNA) where: Base-Base interactions energy: -4.332 where: short stacking energy: -4.332 Base-Backbone interact. energy: -0.004 local terms energy: -21.716656 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -5.239 flat angles P-C4'-P energy: -3.324 tors. eta vs tors. theta energy: -1.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 168 Temperature: 1.300000 Total energy: -26.324820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.324820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.324820 (E_RNA) where: Base-Base interactions energy: -8.344 where: short stacking energy: -8.344 Base-Backbone interact. energy: -0.000 local terms energy: -17.980811 where: bonds (distance) C4'-P energy: -5.167 bonds (distance) P-C4' energy: -2.120 flat angles C4'-P-C4' energy: -5.290 flat angles P-C4'-P energy: -3.481 tors. eta vs tors. theta energy: -1.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 168 Temperature: 1.350000 Total energy: -29.994320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.994320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.994320 (E_RNA) where: Base-Base interactions energy: -8.907 where: short stacking energy: -8.907 Base-Backbone interact. energy: -0.000 local terms energy: -21.087082 where: bonds (distance) C4'-P energy: -3.545 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -5.237 flat angles P-C4'-P energy: -2.916 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: 1, replica: 4 ===================================== Write number: 169 Temperature: 0.900000 Total energy: -44.661823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.661823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.661823 (E_RNA) where: Base-Base interactions energy: -16.963 where: short stacking energy: -16.963 Base-Backbone interact. energy: -0.000 local terms energy: -27.698444 where: bonds (distance) C4'-P energy: -5.159 bonds (distance) P-C4' energy: -6.020 flat angles C4'-P-C4' energy: -5.613 flat angles P-C4'-P energy: -4.635 tors. eta vs tors. theta energy: -6.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 169 Temperature: 0.950000 Total energy: -33.234030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.234030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.234030 (E_RNA) where: Base-Base interactions energy: -12.397 where: short stacking energy: -12.397 Base-Backbone interact. energy: -0.000 local terms energy: -20.837147 where: bonds (distance) C4'-P energy: -5.159 bonds (distance) P-C4' energy: -4.678 flat angles C4'-P-C4' energy: -5.746 flat angles P-C4'-P energy: -4.217 tors. eta vs tors. theta energy: -1.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 169 Temperature: 1.000000 Total energy: -32.181687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.181687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.181687 (E_RNA) where: Base-Base interactions energy: -12.487 where: short stacking energy: -12.487 Base-Backbone interact. energy: -0.003 local terms energy: -19.691400 where: bonds (distance) C4'-P energy: -3.498 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.738 flat angles P-C4'-P energy: -2.424 tors. eta vs tors. theta energy: -3.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 169 Temperature: 1.050000 Total energy: -29.410068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.410068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.410068 (E_RNA) where: Base-Base interactions energy: -10.174 where: short stacking energy: -10.174 Base-Backbone interact. energy: -0.000 local terms energy: -19.235472 where: bonds (distance) C4'-P energy: -3.668 bonds (distance) P-C4' energy: -5.569 flat angles C4'-P-C4' energy: -3.920 flat angles P-C4'-P energy: -4.074 tors. eta vs tors. theta energy: -2.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 169 Temperature: 1.100000 Total energy: -29.684613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.684613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.684613 (E_RNA) where: Base-Base interactions energy: -11.958 where: short stacking energy: -11.958 Base-Backbone interact. energy: -0.091 local terms energy: -17.635508 where: bonds (distance) C4'-P energy: -3.313 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -4.329 flat angles P-C4'-P energy: -1.740 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: 6, replica: 2 ===================================== Write number: 169 Temperature: 1.150000 Total energy: -27.609259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.609259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.609259 (E_RNA) where: Base-Base interactions energy: -11.390 where: short stacking energy: -11.390 Base-Backbone interact. energy: -0.000 local terms energy: -16.219103 where: bonds (distance) C4'-P energy: -2.327 bonds (distance) P-C4' energy: -4.212 flat angles C4'-P-C4' energy: -4.215 flat angles P-C4'-P energy: -3.672 tors. eta vs tors. theta energy: -1.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 169 Temperature: 1.200000 Total energy: -28.574546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.574546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.574546 (E_RNA) where: Base-Base interactions energy: -9.843 where: short stacking energy: -9.843 Base-Backbone interact. energy: -0.013 local terms energy: -18.718060 where: bonds (distance) C4'-P energy: -3.374 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.391 flat angles P-C4'-P energy: -3.756 tors. eta vs tors. theta energy: -1.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 169 Temperature: 1.250000 Total energy: -33.755198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.755198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.755198 (E_RNA) where: Base-Base interactions energy: -11.401 where: short stacking energy: -11.401 Base-Backbone interact. energy: -0.000 local terms energy: -22.354305 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -6.020 flat angles C4'-P-C4' energy: -5.152 flat angles P-C4'-P energy: -1.380 tors. eta vs tors. theta energy: -4.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 169 Temperature: 1.300000 Total energy: -31.857720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.857720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.857720 (E_RNA) where: Base-Base interactions energy: -11.457 where: short stacking energy: -11.457 Base-Backbone interact. energy: -0.001 local terms energy: -20.399775 where: bonds (distance) C4'-P energy: -3.714 bonds (distance) P-C4' energy: -4.473 flat angles C4'-P-C4' energy: -4.543 flat angles P-C4'-P energy: -4.458 tors. eta vs tors. theta energy: -3.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 169 Temperature: 1.350000 Total energy: -23.934942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.934942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.934942 (E_RNA) where: Base-Base interactions energy: -6.800 where: short stacking energy: -6.800 Base-Backbone interact. energy: -0.003 local terms energy: -17.132161 where: bonds (distance) C4'-P energy: -2.551 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.204 flat angles P-C4'-P energy: -4.329 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: 1, replica: 4 ===================================== Write number: 170 Temperature: 0.900000 Total energy: -38.999701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.999701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.999701 (E_RNA) where: Base-Base interactions energy: -15.815 where: short stacking energy: -15.815 Base-Backbone interact. energy: -0.000 local terms energy: -23.185001 where: bonds (distance) C4'-P energy: -4.431 bonds (distance) P-C4' energy: -3.106 flat angles C4'-P-C4' energy: -4.888 flat angles P-C4'-P energy: -3.896 tors. eta vs tors. theta energy: -6.864 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: 7 ===================================== Write number: 170 Temperature: 0.950000 Total energy: -37.038721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.038721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.038721 (E_RNA) where: Base-Base interactions energy: -16.421 where: short stacking energy: -16.421 Base-Backbone interact. energy: -0.000 local terms energy: -20.617517 where: bonds (distance) C4'-P energy: -4.219 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -4.375 flat angles P-C4'-P energy: -3.564 tors. eta vs tors. theta energy: -3.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 170 Temperature: 1.000000 Total energy: -29.499865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.499865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.499865 (E_RNA) where: Base-Base interactions energy: -7.678 where: short stacking energy: -7.678 Base-Backbone interact. energy: -0.000 local terms energy: -21.821449 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.548 flat angles P-C4'-P energy: -3.624 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: 4, replica: 3 ===================================== Write number: 170 Temperature: 1.050000 Total energy: -31.108290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.108290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.108290 (E_RNA) where: Base-Base interactions energy: -9.230 where: short stacking energy: -9.230 Base-Backbone interact. energy: -0.066 local terms energy: -21.811725 where: bonds (distance) C4'-P energy: -4.273 bonds (distance) P-C4' energy: -5.333 flat angles C4'-P-C4' energy: -4.787 flat angles P-C4'-P energy: -3.810 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: 5, replica: 2 ===================================== Write number: 170 Temperature: 1.100000 Total energy: -32.589198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.589198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.589198 (E_RNA) where: Base-Base interactions energy: -12.636 where: short stacking energy: -12.636 Base-Backbone interact. energy: -0.002 local terms energy: -19.951180 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -3.568 flat angles P-C4'-P energy: -0.631 tors. eta vs tors. theta energy: -4.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 170 Temperature: 1.150000 Total energy: -31.105568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.105568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.105568 (E_RNA) where: Base-Base interactions energy: -13.020 where: short stacking energy: -13.020 Base-Backbone interact. energy: -0.006 local terms energy: -18.080046 where: bonds (distance) C4'-P energy: -3.545 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.046 flat angles P-C4'-P energy: -3.146 tors. eta vs tors. theta energy: -1.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 170 Temperature: 1.200000 Total energy: -27.689125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.689125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.689125 (E_RNA) where: Base-Base interactions energy: -5.416 where: short stacking energy: -5.416 Base-Backbone interact. energy: -0.013 local terms energy: -22.259475 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.639 flat angles P-C4'-P energy: -3.470 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: 8, replica: 5 ===================================== Write number: 170 Temperature: 1.250000 Total energy: -29.494820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.494820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.494820 (E_RNA) where: Base-Base interactions energy: -9.388 where: short stacking energy: -9.388 Base-Backbone interact. energy: -0.000 local terms energy: -20.106595 where: bonds (distance) C4'-P energy: -4.191 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.639 flat angles P-C4'-P energy: -2.730 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: 9, replica: 8 ===================================== Write number: 170 Temperature: 1.300000 Total energy: -24.165900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.165900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.165900 (E_RNA) where: Base-Base interactions energy: -6.810 where: short stacking energy: -6.810 Base-Backbone interact. energy: -0.015 local terms energy: -17.340455 where: bonds (distance) C4'-P energy: -3.010 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -5.466 flat angles P-C4'-P energy: -3.286 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: 1 ===================================== Write number: 170 Temperature: 1.350000 Total energy: -28.067547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.067547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.067547 (E_RNA) where: Base-Base interactions energy: -11.580 where: short stacking energy: -11.580 Base-Backbone interact. energy: -0.000 local terms energy: -16.487556 where: bonds (distance) C4'-P energy: -4.663 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -4.727 flat angles P-C4'-P energy: -0.393 tors. eta vs tors. theta energy: -1.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 171 Temperature: 0.900000 Total energy: -34.249877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.249877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.249877 (E_RNA) where: Base-Base interactions energy: -14.388 where: short stacking energy: -14.388 Base-Backbone interact. energy: -0.000 local terms energy: -19.861235 where: bonds (distance) C4'-P energy: -3.668 bonds (distance) P-C4' energy: -4.476 flat angles C4'-P-C4' energy: -5.590 flat angles P-C4'-P energy: -1.621 tors. eta vs tors. theta energy: -4.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 171 Temperature: 0.950000 Total energy: -27.704913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.704913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.704913 (E_RNA) where: Base-Base interactions energy: -6.426 where: short stacking energy: -6.426 Base-Backbone interact. energy: -0.015 local terms energy: -21.264316 where: bonds (distance) C4'-P energy: -5.283 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.032 flat angles P-C4'-P energy: -3.614 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: 3, replica: 7 ===================================== Write number: 171 Temperature: 1.000000 Total energy: -31.443664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.443664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.443664 (E_RNA) where: Base-Base interactions energy: -8.237 where: short stacking energy: -8.237 Base-Backbone interact. energy: -0.000 local terms energy: -23.206820 where: bonds (distance) C4'-P energy: -4.840 bonds (distance) P-C4' energy: -5.995 flat angles C4'-P-C4' energy: -4.552 flat angles P-C4'-P energy: -2.712 tors. eta vs tors. theta energy: -5.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 171 Temperature: 1.050000 Total energy: -36.964623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.964623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.964623 (E_RNA) where: Base-Base interactions energy: -14.103 where: short stacking energy: -14.103 Base-Backbone interact. energy: -0.000 local terms energy: -22.861232 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -4.712 flat angles C4'-P-C4' energy: -4.056 flat angles P-C4'-P energy: -3.374 tors. eta vs tors. theta energy: -5.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 171 Temperature: 1.100000 Total energy: -30.266086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.266086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.266086 (E_RNA) where: Base-Base interactions energy: -8.433 where: short stacking energy: -8.433 Base-Backbone interact. energy: -0.041 local terms energy: -21.792399 where: bonds (distance) C4'-P energy: -3.792 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -4.087 flat angles P-C4'-P energy: -4.639 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: 6, replica: 9 ===================================== Write number: 171 Temperature: 1.150000 Total energy: -24.726789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.726789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.726789 (E_RNA) where: Base-Base interactions energy: -7.783 where: short stacking energy: -7.783 Base-Backbone interact. energy: -0.058 local terms energy: -16.885734 where: bonds (distance) C4'-P energy: -4.787 bonds (distance) P-C4' energy: -5.522 flat angles C4'-P-C4' energy: -3.327 flat angles P-C4'-P energy: -2.164 tors. eta vs tors. theta energy: -1.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 171 Temperature: 1.200000 Total energy: -29.657777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.657777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.657777 (E_RNA) where: Base-Base interactions energy: -9.201 where: short stacking energy: -9.201 Base-Backbone interact. energy: -0.088 local terms energy: -20.368848 where: bonds (distance) C4'-P energy: -4.786 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -5.083 flat angles P-C4'-P energy: -3.604 tors. eta vs tors. theta energy: -0.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 171 Temperature: 1.250000 Total energy: -27.158298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.158298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.158298 (E_RNA) where: Base-Base interactions energy: -6.939 where: short stacking energy: -6.939 Base-Backbone interact. energy: -0.088 local terms energy: -20.130974 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -2.742 flat angles P-C4'-P energy: -3.685 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: 9, replica: 5 ===================================== Write number: 171 Temperature: 1.300000 Total energy: -24.258495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.258495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.258495 (E_RNA) where: Base-Base interactions energy: -5.222 where: short stacking energy: -5.321 Base-Backbone interact. energy: -0.226 local terms energy: -18.810395 where: bonds (distance) C4'-P energy: -4.663 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -4.403 flat angles P-C4'-P energy: -1.578 tors. eta vs tors. theta energy: -1.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 171 Temperature: 1.350000 Total energy: -23.967279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.967279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.967279 (E_RNA) where: Base-Base interactions energy: -7.562 where: short stacking energy: -7.562 Base-Backbone interact. energy: -0.006 local terms energy: -16.399018 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -2.482 flat angles C4'-P-C4' energy: -4.378 flat angles P-C4'-P energy: -1.028 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: 1, replica: 10 ===================================== Write number: 172 Temperature: 0.900000 Total energy: -38.406171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.406171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.406171 (E_RNA) where: Base-Base interactions energy: -13.049 where: short stacking energy: -13.049 Base-Backbone interact. energy: -0.000 local terms energy: -25.357299 where: bonds (distance) C4'-P energy: -4.389 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -5.045 flat angles P-C4'-P energy: -4.587 tors. eta vs tors. theta energy: -5.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 172 Temperature: 0.950000 Total energy: -37.284687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.284687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.284687 (E_RNA) where: Base-Base interactions energy: -16.391 where: short stacking energy: -16.391 Base-Backbone interact. energy: -0.000 local terms energy: -20.893047 where: bonds (distance) C4'-P energy: -4.981 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -3.020 flat angles P-C4'-P energy: -4.568 tors. eta vs tors. theta energy: -2.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 172 Temperature: 1.000000 Total energy: -37.472742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.472742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.472742 (E_RNA) where: Base-Base interactions energy: -16.110 where: short stacking energy: -16.110 Base-Backbone interact. energy: -0.010 local terms energy: -21.353369 where: bonds (distance) C4'-P energy: -2.001 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -3.871 flat angles P-C4'-P energy: -4.427 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: 4, replica: 7 ===================================== Write number: 172 Temperature: 1.050000 Total energy: -30.165416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.165416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.165416 (E_RNA) where: Base-Base interactions energy: -11.703 where: short stacking energy: -11.703 Base-Backbone interact. energy: -0.214 local terms energy: -18.248595 where: bonds (distance) C4'-P energy: -4.795 bonds (distance) P-C4' energy: -4.606 flat angles C4'-P-C4' energy: -3.899 flat angles P-C4'-P energy: -2.903 tors. eta vs tors. theta energy: -2.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 172 Temperature: 1.100000 Total energy: -31.396798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.396798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.396798 (E_RNA) where: Base-Base interactions energy: -9.992 where: short stacking energy: -9.992 Base-Backbone interact. energy: -0.000 local terms energy: -21.404632 where: bonds (distance) C4'-P energy: -4.513 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -5.099 flat angles P-C4'-P energy: -3.615 tors. eta vs tors. theta energy: -2.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 172 Temperature: 1.150000 Total energy: -30.530510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.530510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.530510 (E_RNA) where: Base-Base interactions energy: -11.110 where: short stacking energy: -11.110 Base-Backbone interact. energy: -0.000 local terms energy: -19.420925 where: bonds (distance) C4'-P energy: -3.904 bonds (distance) P-C4' energy: -4.709 flat angles C4'-P-C4' energy: -4.969 flat angles P-C4'-P energy: -3.146 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: 7, replica: 8 ===================================== Write number: 172 Temperature: 1.200000 Total energy: -28.785505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.785505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.785505 (E_RNA) where: Base-Base interactions energy: -10.026 where: short stacking energy: -10.026 Base-Backbone interact. energy: -0.000 local terms energy: -18.759872 where: bonds (distance) C4'-P energy: -4.343 bonds (distance) P-C4' energy: -4.875 flat angles C4'-P-C4' energy: -3.947 flat angles P-C4'-P energy: -3.247 tors. eta vs tors. theta energy: -2.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 172 Temperature: 1.250000 Total energy: -25.743807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.743807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.743807 (E_RNA) where: Base-Base interactions energy: -7.504 where: short stacking energy: -7.504 Base-Backbone interact. energy: -0.073 local terms energy: -18.167140 where: bonds (distance) C4'-P energy: -4.981 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -2.780 flat angles P-C4'-P energy: -3.755 tors. eta vs tors. theta energy: -0.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 172 Temperature: 1.300000 Total energy: -28.240774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.240774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.240774 (E_RNA) where: Base-Base interactions energy: -9.431 where: short stacking energy: -9.431 Base-Backbone interact. energy: -0.002 local terms energy: -18.807969 where: bonds (distance) C4'-P energy: -2.869 bonds (distance) P-C4' energy: -4.832 flat angles C4'-P-C4' energy: -4.132 flat angles P-C4'-P energy: -3.373 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: 10, replica: 1 ===================================== Write number: 172 Temperature: 1.350000 Total energy: -21.834079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.834079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.834079 (E_RNA) where: Base-Base interactions energy: -6.817 where: short stacking energy: -6.817 Base-Backbone interact. energy: -0.001 local terms energy: -15.015841 where: bonds (distance) C4'-P energy: -4.227 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -2.401 flat angles P-C4'-P energy: -1.610 tors. eta vs tors. theta energy: -1.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 173 Temperature: 0.900000 Total energy: -32.446720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.446720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.446720 (E_RNA) where: Base-Base interactions energy: -11.990 where: short stacking energy: -11.990 Base-Backbone interact. energy: -0.008 local terms energy: -20.448891 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -5.286 flat angles C4'-P-C4' energy: -4.891 flat angles P-C4'-P energy: -4.203 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: 2, replica: 2 ===================================== Write number: 173 Temperature: 0.950000 Total energy: -31.905153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.905153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.905153 (E_RNA) where: Base-Base interactions energy: -12.419 where: short stacking energy: -12.419 Base-Backbone interact. energy: -0.000 local terms energy: -19.485850 where: bonds (distance) C4'-P energy: -3.428 bonds (distance) P-C4' energy: -5.286 flat angles C4'-P-C4' energy: -4.251 flat angles P-C4'-P energy: -3.324 tors. eta vs tors. theta energy: -3.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 173 Temperature: 1.000000 Total energy: -34.629902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.629902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.629902 (E_RNA) where: Base-Base interactions energy: -11.961 where: short stacking energy: -11.961 Base-Backbone interact. energy: -0.053 local terms energy: -22.615796 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -4.811 flat angles C4'-P-C4' energy: -5.030 flat angles P-C4'-P energy: -4.036 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: 9 ===================================== Write number: 173 Temperature: 1.050000 Total energy: -29.243415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.243415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.243415 (E_RNA) where: Base-Base interactions energy: -12.053 where: short stacking energy: -12.053 Base-Backbone interact. energy: -0.018 local terms energy: -17.171797 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -4.127 flat angles C4'-P-C4' energy: -5.421 flat angles P-C4'-P energy: -1.521 tors. eta vs tors. theta energy: -1.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 173 Temperature: 1.100000 Total energy: -32.023788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.023788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.023788 (E_RNA) where: Base-Base interactions energy: -10.966 where: short stacking energy: -11.866 Base-Backbone interact. energy: -0.071 local terms energy: -20.986826 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.258 flat angles C4'-P-C4' energy: -5.575 flat angles P-C4'-P energy: -3.626 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: 6, replica: 3 ===================================== Write number: 173 Temperature: 1.150000 Total energy: -29.893884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.893884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.893884 (E_RNA) where: Base-Base interactions energy: -11.096 where: short stacking energy: -11.425 Base-Backbone interact. energy: -0.004 local terms energy: -18.793265 where: bonds (distance) C4'-P energy: -1.557 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.745 flat angles P-C4'-P energy: -3.788 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: 7, replica: 8 ===================================== Write number: 173 Temperature: 1.200000 Total energy: -27.292173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.292173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.292173 (E_RNA) where: Base-Base interactions energy: -7.588 where: short stacking energy: -7.588 Base-Backbone interact. energy: -0.000 local terms energy: -19.704300 where: bonds (distance) C4'-P energy: -3.382 bonds (distance) P-C4' energy: -5.526 flat angles C4'-P-C4' energy: -4.873 flat angles P-C4'-P energy: -3.705 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: 5 ===================================== Write number: 173 Temperature: 1.250000 Total energy: -26.506393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.506393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.506393 (E_RNA) where: Base-Base interactions energy: -5.292 where: short stacking energy: -5.292 Base-Backbone interact. energy: -0.028 local terms energy: -21.185945 where: bonds (distance) C4'-P energy: -4.120 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -5.079 flat angles P-C4'-P energy: -3.784 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: 9, replica: 6 ===================================== Write number: 173 Temperature: 1.300000 Total energy: -27.202651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.202651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.202651 (E_RNA) where: Base-Base interactions energy: -7.194 where: short stacking energy: -7.194 Base-Backbone interact. energy: -0.000 local terms energy: -20.009126 where: bonds (distance) C4'-P energy: -3.490 bonds (distance) P-C4' energy: -4.639 flat angles C4'-P-C4' energy: -3.651 flat angles P-C4'-P energy: -4.168 tors. eta vs tors. theta energy: -4.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 173 Temperature: 1.350000 Total energy: -26.058516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.058516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.058516 (E_RNA) where: Base-Base interactions energy: -7.420 where: short stacking energy: -7.420 Base-Backbone interact. energy: -0.026 local terms energy: -18.612530 where: bonds (distance) C4'-P energy: -3.482 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.621 flat angles P-C4'-P energy: -4.541 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: 1, replica: 10 ===================================== Write number: 174 Temperature: 0.900000 Total energy: -37.983555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.983555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.983555 (E_RNA) where: Base-Base interactions energy: -15.794 where: short stacking energy: -15.794 Base-Backbone interact. energy: -0.000 local terms energy: -22.188851 where: bonds (distance) C4'-P energy: -4.580 bonds (distance) P-C4' energy: -4.258 flat angles C4'-P-C4' energy: -5.361 flat angles P-C4'-P energy: -3.542 tors. eta vs tors. theta energy: -4.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 174 Temperature: 0.950000 Total energy: -32.459937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.459937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.459937 (E_RNA) where: Base-Base interactions energy: -9.578 where: short stacking energy: -9.578 Base-Backbone interact. energy: -0.000 local terms energy: -22.881594 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -4.499 flat angles P-C4'-P energy: -3.108 tors. eta vs tors. theta energy: -4.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 174 Temperature: 1.000000 Total energy: -25.515905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.515905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.515905 (E_RNA) where: Base-Base interactions energy: -10.151 where: short stacking energy: -10.351 Base-Backbone interact. energy: -0.000 local terms energy: -15.364260 where: bonds (distance) C4'-P energy: -3.574 bonds (distance) P-C4' energy: -4.311 flat angles C4'-P-C4' energy: -4.427 flat angles P-C4'-P energy: -3.649 tors. eta vs tors. theta energy: 0.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 174 Temperature: 1.050000 Total energy: -31.582631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.582631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.582631 (E_RNA) where: Base-Base interactions energy: -12.824 where: short stacking energy: -12.824 Base-Backbone interact. energy: -0.001 local terms energy: -18.757102 where: bonds (distance) C4'-P energy: -4.057 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -5.027 flat angles P-C4'-P energy: -1.927 tors. eta vs tors. theta energy: -2.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 174 Temperature: 1.100000 Total energy: -34.130607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.130607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.130607 (E_RNA) where: Base-Base interactions energy: -12.253 where: short stacking energy: -12.253 Base-Backbone interact. energy: -0.000 local terms energy: -21.877902 where: bonds (distance) C4'-P energy: -4.609 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -2.627 flat angles P-C4'-P energy: -3.632 tors. eta vs tors. theta energy: -5.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 174 Temperature: 1.150000 Total energy: -29.463240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.463240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.463240 (E_RNA) where: Base-Base interactions energy: -11.345 where: short stacking energy: -11.345 Base-Backbone interact. energy: -0.010 local terms energy: -18.107592 where: bonds (distance) C4'-P energy: -5.089 bonds (distance) P-C4' energy: -5.286 flat angles C4'-P-C4' energy: -3.362 flat angles P-C4'-P energy: -2.757 tors. eta vs tors. theta energy: -1.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 174 Temperature: 1.200000 Total energy: -28.248297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.248297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.248297 (E_RNA) where: Base-Base interactions energy: -6.270 where: short stacking energy: -6.270 Base-Backbone interact. energy: -0.001 local terms energy: -21.978078 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.547 flat angles C4'-P-C4' energy: -4.832 flat angles P-C4'-P energy: -3.348 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: 8, replica: 8 ===================================== Write number: 174 Temperature: 1.250000 Total energy: -24.681591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.681591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.681591 (E_RNA) where: Base-Base interactions energy: -6.407 where: short stacking energy: -6.407 Base-Backbone interact. energy: -0.106 local terms energy: -18.168112 where: bonds (distance) C4'-P energy: -3.251 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.961 flat angles P-C4'-P energy: -2.892 tors. eta vs tors. theta energy: -0.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 174 Temperature: 1.300000 Total energy: -24.946843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.946843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.946843 (E_RNA) where: Base-Base interactions energy: -6.645 where: short stacking energy: -6.645 Base-Backbone interact. energy: -0.018 local terms energy: -18.283713 where: bonds (distance) C4'-P energy: -4.600 bonds (distance) P-C4' energy: -4.942 flat angles C4'-P-C4' energy: -3.851 flat angles P-C4'-P energy: -3.558 tors. eta vs tors. theta energy: -1.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 174 Temperature: 1.350000 Total energy: -25.805643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.805643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.805643 (E_RNA) where: Base-Base interactions energy: -5.628 where: short stacking energy: -5.639 Base-Backbone interact. energy: -0.065 local terms energy: -20.111849 where: bonds (distance) C4'-P energy: -3.775 bonds (distance) P-C4' energy: -5.308 flat angles C4'-P-C4' energy: -3.922 flat angles P-C4'-P energy: -3.764 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: 1, replica: 10 ===================================== Write number: 175 Temperature: 0.900000 Total energy: -27.966586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.966586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.966586 (E_RNA) where: Base-Base interactions energy: -10.610 where: short stacking energy: -10.610 Base-Backbone interact. energy: -0.097 local terms energy: -17.259170 where: bonds (distance) C4'-P energy: -3.892 bonds (distance) P-C4' energy: -5.477 flat angles C4'-P-C4' energy: -5.357 flat angles P-C4'-P energy: -2.367 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: 2, replica: 2 ===================================== Write number: 175 Temperature: 0.950000 Total energy: -29.805711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.805711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.805711 (E_RNA) where: Base-Base interactions energy: -11.112 where: short stacking energy: -11.112 Base-Backbone interact. energy: -0.000 local terms energy: -18.693928 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.298 flat angles C4'-P-C4' energy: -5.594 flat angles P-C4'-P energy: -1.762 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: 3, replica: 9 ===================================== Write number: 175 Temperature: 1.000000 Total energy: -31.867107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.867107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.867107 (E_RNA) where: Base-Base interactions energy: -10.271 where: short stacking energy: -10.271 Base-Backbone interact. energy: -0.000 local terms energy: -21.596433 where: bonds (distance) C4'-P energy: -3.809 bonds (distance) P-C4' energy: -4.646 flat angles C4'-P-C4' energy: -4.814 flat angles P-C4'-P energy: -4.339 tors. eta vs tors. theta energy: -3.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 175 Temperature: 1.050000 Total energy: -29.442862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.442862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.442862 (E_RNA) where: Base-Base interactions energy: -9.352 where: short stacking energy: -9.352 Base-Backbone interact. energy: -0.010 local terms energy: -20.080437 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.995 flat angles C4'-P-C4' energy: -4.481 flat angles P-C4'-P energy: -2.659 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: 5, replica: 4 ===================================== Write number: 175 Temperature: 1.100000 Total energy: -32.519028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.519028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.519028 (E_RNA) where: Base-Base interactions energy: -11.975 where: short stacking energy: -11.975 Base-Backbone interact. energy: -0.027 local terms energy: -20.517557 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -3.466 flat angles P-C4'-P energy: -3.337 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: 175 Temperature: 1.150000 Total energy: -29.995022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.995022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.995022 (E_RNA) where: Base-Base interactions energy: -10.108 where: short stacking energy: -10.108 Base-Backbone interact. energy: -0.001 local terms energy: -19.886811 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.519 flat angles P-C4'-P energy: -3.833 tors. eta vs tors. theta energy: -0.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 175 Temperature: 1.200000 Total energy: -27.966907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.966907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.966907 (E_RNA) where: Base-Base interactions energy: -7.855 where: short stacking energy: -7.855 Base-Backbone interact. energy: -0.004 local terms energy: -20.107448 where: bonds (distance) C4'-P energy: -4.137 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -5.255 flat angles P-C4'-P energy: -4.476 tors. eta vs tors. theta energy: -0.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 175 Temperature: 1.250000 Total energy: -22.920352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.920352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.920352 (E_RNA) where: Base-Base interactions energy: -7.533 where: short stacking energy: -7.533 Base-Backbone interact. energy: -0.003 local terms energy: -15.384476 where: bonds (distance) C4'-P energy: -4.227 bonds (distance) P-C4' energy: -6.020 flat angles C4'-P-C4' energy: -3.338 flat angles P-C4'-P energy: -3.078 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: 9, replica: 8 ===================================== Write number: 175 Temperature: 1.300000 Total energy: -26.988675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.988675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.988675 (E_RNA) where: Base-Base interactions energy: -6.181 where: short stacking energy: -6.181 Base-Backbone interact. energy: -0.000 local terms energy: -20.808082 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.060 flat angles P-C4'-P energy: -4.372 tors. eta vs tors. theta energy: -0.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 175 Temperature: 1.350000 Total energy: -21.269088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.269088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.269088 (E_RNA) where: Base-Base interactions energy: -4.062 where: short stacking energy: -4.062 Base-Backbone interact. energy: -0.001 local terms energy: -17.205577 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -4.945 flat angles C4'-P-C4' energy: -4.613 flat angles P-C4'-P energy: -3.692 tors. eta vs tors. theta energy: 1.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 176 Temperature: 0.900000 Total energy: -35.561617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.561617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.561617 (E_RNA) where: Base-Base interactions energy: -13.011 where: short stacking energy: -13.011 Base-Backbone interact. energy: -0.002 local terms energy: -22.548573 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.333 flat angles C4'-P-C4' energy: -5.697 flat angles P-C4'-P energy: -3.915 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: 2, replica: 2 ===================================== Write number: 176 Temperature: 0.950000 Total energy: -33.463189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.463189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.463189 (E_RNA) where: Base-Base interactions energy: -9.854 where: short stacking energy: -9.854 Base-Backbone interact. energy: -0.001 local terms energy: -23.608464 where: bonds (distance) C4'-P energy: -4.663 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -4.734 flat angles P-C4'-P energy: -3.842 tors. eta vs tors. theta energy: -4.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 176 Temperature: 1.000000 Total energy: -31.546591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.546591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.546591 (E_RNA) where: Base-Base interactions energy: -12.938 where: short stacking energy: -12.938 Base-Backbone interact. energy: -0.098 local terms energy: -18.510687 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -4.642 flat angles C4'-P-C4' energy: -2.167 flat angles P-C4'-P energy: -3.538 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: 9 ===================================== Write number: 176 Temperature: 1.050000 Total energy: -31.082691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.082691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.082691 (E_RNA) where: Base-Base interactions energy: -11.915 where: short stacking energy: -11.915 Base-Backbone interact. energy: -0.000 local terms energy: -19.167823 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -4.875 flat angles C4'-P-C4' energy: -4.396 flat angles P-C4'-P energy: -2.528 tors. eta vs tors. theta energy: -2.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 176 Temperature: 1.100000 Total energy: -27.293834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.293834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.293834 (E_RNA) where: Base-Base interactions energy: -7.857 where: short stacking energy: -7.857 Base-Backbone interact. energy: -0.009 local terms energy: -19.427974 where: bonds (distance) C4'-P energy: -4.663 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -3.544 flat angles P-C4'-P energy: -3.966 tors. eta vs tors. theta energy: -1.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 176 Temperature: 1.150000 Total energy: -36.664522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.664522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.664522 (E_RNA) where: Base-Base interactions energy: -16.217 where: short stacking energy: -16.217 Base-Backbone interact. energy: -0.000 local terms energy: -20.447551 where: bonds (distance) C4'-P energy: -3.909 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -4.571 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: 7, replica: 1 ===================================== Write number: 176 Temperature: 1.200000 Total energy: -23.946722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.946722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.946722 (E_RNA) where: Base-Base interactions energy: -5.772 where: short stacking energy: -5.772 Base-Backbone interact. energy: -0.083 local terms energy: -18.092091 where: bonds (distance) C4'-P energy: -4.663 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -4.431 flat angles P-C4'-P energy: -3.632 tors. eta vs tors. theta energy: 0.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 176 Temperature: 1.250000 Total energy: -23.384166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.384166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.384166 (E_RNA) where: Base-Base interactions energy: -3.451 where: short stacking energy: -3.451 Base-Backbone interact. energy: -0.101 local terms energy: -19.832296 where: bonds (distance) C4'-P energy: -4.786 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.358 flat angles P-C4'-P energy: -3.318 tors. eta vs tors. theta energy: -1.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 176 Temperature: 1.300000 Total energy: -30.237050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.237050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.237050 (E_RNA) where: Base-Base interactions energy: -8.255 where: short stacking energy: -8.255 Base-Backbone interact. energy: -0.000 local terms energy: -21.981122 where: bonds (distance) C4'-P energy: -4.778 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -3.539 flat angles P-C4'-P energy: -3.909 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: 10, replica: 8 ===================================== Write number: 176 Temperature: 1.350000 Total energy: -23.034093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.034093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.034093 (E_RNA) where: Base-Base interactions energy: -6.071 where: short stacking energy: -4.152 Base-Backbone interact. energy: -0.009 local terms energy: -16.953605 where: bonds (distance) C4'-P energy: -4.140 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -4.048 flat angles P-C4'-P energy: -2.821 tors. eta vs tors. theta energy: -0.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 177 Temperature: 0.900000 Total energy: -34.835149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.835149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.835149 (E_RNA) where: Base-Base interactions energy: -14.072 where: short stacking energy: -14.072 Base-Backbone interact. energy: -0.000 local terms energy: -20.763518 where: bonds (distance) C4'-P energy: -3.561 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.805 flat angles P-C4'-P energy: -1.506 tors. eta vs tors. theta energy: -5.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 177 Temperature: 0.950000 Total energy: -33.893485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.893485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.893485 (E_RNA) where: Base-Base interactions energy: -12.257 where: short stacking energy: -12.257 Base-Backbone interact. energy: -0.000 local terms energy: -21.636447 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.535 flat angles P-C4'-P energy: -3.485 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: 3, replica: 2 ===================================== Write number: 177 Temperature: 1.000000 Total energy: -36.927869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.927869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.927869 (E_RNA) where: Base-Base interactions energy: -14.790 where: short stacking energy: -14.790 Base-Backbone interact. energy: -0.000 local terms energy: -22.137407 where: bonds (distance) C4'-P energy: -3.909 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -3.729 flat angles P-C4'-P energy: -4.335 tors. eta vs tors. theta energy: -4.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 177 Temperature: 1.050000 Total energy: -34.016074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.016074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.016074 (E_RNA) where: Base-Base interactions energy: -14.643 where: short stacking energy: -14.643 Base-Backbone interact. energy: -0.000 local terms energy: -19.373386 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -4.998 flat angles C4'-P-C4' energy: -5.265 flat angles P-C4'-P energy: 1.128 tors. eta vs tors. theta energy: -5.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 177 Temperature: 1.100000 Total energy: -33.636331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.636331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.636331 (E_RNA) where: Base-Base interactions energy: -13.604 where: short stacking energy: -13.604 Base-Backbone interact. energy: -0.000 local terms energy: -20.032665 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -4.022 flat angles C4'-P-C4' energy: -4.098 flat angles P-C4'-P energy: -3.338 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: 6, replica: 4 ===================================== Write number: 177 Temperature: 1.150000 Total energy: -25.851615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.851615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.851615 (E_RNA) where: Base-Base interactions energy: -7.091 where: short stacking energy: -7.091 Base-Backbone interact. energy: -0.014 local terms energy: -18.746357 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -4.649 flat angles C4'-P-C4' energy: -5.647 flat angles P-C4'-P energy: -2.245 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: 7, replica: 1 ===================================== Write number: 177 Temperature: 1.200000 Total energy: -29.647644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.647644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.647644 (E_RNA) where: Base-Base interactions energy: -11.912 where: short stacking energy: -11.070 Base-Backbone interact. energy: -0.058 local terms energy: -17.677664 where: bonds (distance) C4'-P energy: -4.111 bonds (distance) P-C4' energy: -5.473 flat angles C4'-P-C4' energy: -4.364 flat angles P-C4'-P energy: -2.718 tors. eta vs tors. theta energy: -1.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 177 Temperature: 1.250000 Total energy: -29.584804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.584804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.584804 (E_RNA) where: Base-Base interactions energy: -10.125 where: short stacking energy: -10.125 Base-Backbone interact. energy: -0.004 local terms energy: -19.455116 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -4.255 flat angles C4'-P-C4' energy: -5.819 flat angles P-C4'-P energy: -1.899 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: 177 Temperature: 1.300000 Total energy: -27.494778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.494778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.494778 (E_RNA) where: Base-Base interactions energy: -9.094 where: short stacking energy: -8.244 Base-Backbone interact. energy: -0.007 local terms energy: -18.392838 where: bonds (distance) C4'-P energy: -4.725 bonds (distance) P-C4' energy: -5.759 flat angles C4'-P-C4' energy: -4.246 flat angles P-C4'-P energy: -2.474 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: 10, replica: 8 ===================================== Write number: 177 Temperature: 1.350000 Total energy: -24.692206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.692206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.692206 (E_RNA) where: Base-Base interactions energy: -7.350 where: short stacking energy: -7.350 Base-Backbone interact. energy: -0.027 local terms energy: -17.314811 where: bonds (distance) C4'-P energy: -4.459 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -4.746 flat angles P-C4'-P energy: -1.471 tors. eta vs tors. theta energy: -1.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 178 Temperature: 0.900000 Total energy: -36.063488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.063488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.063488 (E_RNA) where: Base-Base interactions energy: -16.577 where: short stacking energy: -16.577 Base-Backbone interact. energy: 0.630 local terms energy: -20.116804 where: bonds (distance) C4'-P energy: -2.568 bonds (distance) P-C4' energy: -5.305 flat angles C4'-P-C4' energy: -4.468 flat angles P-C4'-P energy: -4.053 tors. eta vs tors. theta energy: -3.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 178 Temperature: 0.950000 Total energy: -31.217575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.217575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.217575 (E_RNA) where: Base-Base interactions energy: -10.179 where: short stacking energy: -10.179 Base-Backbone interact. energy: -0.001 local terms energy: -21.038338 where: bonds (distance) C4'-P energy: -4.227 bonds (distance) P-C4' energy: -5.075 flat angles C4'-P-C4' energy: -5.096 flat angles P-C4'-P energy: -4.046 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: 3, replica: 9 ===================================== Write number: 178 Temperature: 1.000000 Total energy: -32.280423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.280423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.280423 (E_RNA) where: Base-Base interactions energy: -9.440 where: short stacking energy: -9.443 Base-Backbone interact. energy: -0.045 local terms energy: -22.796274 where: bonds (distance) C4'-P energy: -4.779 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -3.835 flat angles P-C4'-P energy: -4.503 tors. eta vs tors. theta energy: -4.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 178 Temperature: 1.050000 Total energy: -32.508967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.508967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.508967 (E_RNA) where: Base-Base interactions energy: -13.217 where: short stacking energy: -13.217 Base-Backbone interact. energy: -0.000 local terms energy: -19.291879 where: bonds (distance) C4'-P energy: -3.349 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -4.675 flat angles P-C4'-P energy: -2.857 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: 5, replica: 4 ===================================== Write number: 178 Temperature: 1.100000 Total energy: -30.681646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.681646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.681646 (E_RNA) where: Base-Base interactions energy: -10.511 where: short stacking energy: -10.511 Base-Backbone interact. energy: -0.011 local terms energy: -20.160283 where: bonds (distance) C4'-P energy: -4.227 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -4.980 flat angles P-C4'-P energy: -3.046 tors. eta vs tors. theta energy: -2.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 178 Temperature: 1.150000 Total energy: -28.954129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.954129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.954129 (E_RNA) where: Base-Base interactions energy: -7.122 where: short stacking energy: -7.122 Base-Backbone interact. energy: -0.000 local terms energy: -21.831820 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -5.027 flat angles P-C4'-P energy: -2.792 tors. eta vs tors. theta energy: -3.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 178 Temperature: 1.200000 Total energy: -27.365859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.365859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.365859 (E_RNA) where: Base-Base interactions energy: -8.061 where: short stacking energy: -8.061 Base-Backbone interact. energy: -0.000 local terms energy: -19.304589 where: bonds (distance) C4'-P energy: -4.049 bonds (distance) P-C4' energy: -4.522 flat angles C4'-P-C4' energy: -3.776 flat angles P-C4'-P energy: -3.610 tors. eta vs tors. theta energy: -3.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 178 Temperature: 1.250000 Total energy: -26.182907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.182907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.182907 (E_RNA) where: Base-Base interactions energy: -7.746 where: short stacking energy: -7.469 Base-Backbone interact. energy: -0.012 local terms energy: -18.425163 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -5.231 flat angles C4'-P-C4' energy: -4.643 flat angles P-C4'-P energy: -2.561 tors. eta vs tors. theta energy: -1.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 178 Temperature: 1.300000 Total energy: -25.903458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.903458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.903458 (E_RNA) where: Base-Base interactions energy: -6.793 where: short stacking energy: -6.793 Base-Backbone interact. energy: -0.000 local terms energy: -19.110640 where: bonds (distance) C4'-P energy: -3.454 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.768 flat angles P-C4'-P energy: -2.742 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: 178 Temperature: 1.350000 Total energy: -24.023747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.023747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.023747 (E_RNA) where: Base-Base interactions energy: -7.315 where: short stacking energy: -7.315 Base-Backbone interact. energy: -0.000 local terms energy: -16.708235 where: bonds (distance) C4'-P energy: -4.637 bonds (distance) P-C4' energy: -4.277 flat angles C4'-P-C4' energy: -4.764 flat angles P-C4'-P energy: -1.501 tors. eta vs tors. theta energy: -1.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 179 Temperature: 0.900000 Total energy: -32.533084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.533084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.533084 (E_RNA) where: Base-Base interactions energy: -10.218 where: short stacking energy: -10.218 Base-Backbone interact. energy: -0.062 local terms energy: -22.252895 where: bonds (distance) C4'-P energy: -4.609 bonds (distance) P-C4' energy: -4.642 flat angles C4'-P-C4' energy: -5.519 flat angles P-C4'-P energy: -3.527 tors. eta vs tors. theta energy: -3.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 179 Temperature: 0.950000 Total energy: -40.223549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.223549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.223549 (E_RNA) where: Base-Base interactions energy: -16.008 where: short stacking energy: -16.008 Base-Backbone interact. energy: -0.037 local terms energy: -24.179325 where: bonds (distance) C4'-P energy: -4.405 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -5.397 flat angles P-C4'-P energy: -4.742 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: 10 ===================================== Write number: 179 Temperature: 1.000000 Total energy: -32.717809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.717809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.717809 (E_RNA) where: Base-Base interactions energy: -10.047 where: short stacking energy: -10.047 Base-Backbone interact. energy: -0.000 local terms energy: -22.670883 where: bonds (distance) C4'-P energy: -3.891 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -3.814 flat angles P-C4'-P energy: -4.084 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: 4, replica: 4 ===================================== Write number: 179 Temperature: 1.050000 Total energy: -27.514539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.514539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.514539 (E_RNA) where: Base-Base interactions energy: -11.275 where: short stacking energy: -11.275 Base-Backbone interact. energy: -0.012 local terms energy: -16.228431 where: bonds (distance) C4'-P energy: -4.840 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -2.156 flat angles P-C4'-P energy: -2.832 tors. eta vs tors. theta energy: -0.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 179 Temperature: 1.100000 Total energy: -26.596365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.596365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.596365 (E_RNA) where: Base-Base interactions energy: -4.409 where: short stacking energy: -4.409 Base-Backbone interact. energy: -0.003 local terms energy: -22.183999 where: bonds (distance) C4'-P energy: -4.431 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.255 flat angles P-C4'-P energy: -4.568 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: 6 ===================================== Write number: 179 Temperature: 1.150000 Total energy: -27.766977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.766977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.766977 (E_RNA) where: Base-Base interactions energy: -6.928 where: short stacking energy: -6.928 Base-Backbone interact. energy: -0.394 local terms energy: -20.445488 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -5.474 flat angles P-C4'-P energy: -3.464 tors. eta vs tors. theta energy: -1.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 179 Temperature: 1.200000 Total energy: -29.709986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.709986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.709986 (E_RNA) where: Base-Base interactions energy: -8.960 where: short stacking energy: -8.960 Base-Backbone interact. energy: -0.019 local terms energy: -20.731172 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -5.498 flat angles C4'-P-C4' energy: -4.755 flat angles P-C4'-P energy: -4.484 tors. eta vs tors. theta energy: -1.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 179 Temperature: 1.250000 Total energy: -24.506870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.506870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.506870 (E_RNA) where: Base-Base interactions energy: -8.648 where: short stacking energy: -8.648 Base-Backbone interact. energy: -0.003 local terms energy: -15.855523 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -3.528 flat angles C4'-P-C4' energy: -4.780 flat angles P-C4'-P energy: -2.004 tors. eta vs tors. theta energy: -0.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 179 Temperature: 1.300000 Total energy: -23.855746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.855746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.855746 (E_RNA) where: Base-Base interactions energy: -6.893 where: short stacking energy: -6.893 Base-Backbone interact. energy: -0.107 local terms energy: -16.856557 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -3.991 flat angles C4'-P-C4' energy: -4.372 flat angles P-C4'-P energy: -2.542 tors. eta vs tors. theta energy: -1.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 179 Temperature: 1.350000 Total energy: -27.548062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.548062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.548062 (E_RNA) where: Base-Base interactions energy: -7.637 where: short stacking energy: -7.637 Base-Backbone interact. energy: -0.026 local terms energy: -19.885836 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -5.258 flat angles C4'-P-C4' energy: -4.693 flat angles P-C4'-P energy: -3.234 tors. eta vs tors. theta energy: -1.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 180 Temperature: 0.900000 Total energy: -35.077880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.077880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.077880 (E_RNA) where: Base-Base interactions energy: -12.137 where: short stacking energy: -12.137 Base-Backbone interact. energy: -0.000 local terms energy: -22.941057 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -5.358 flat angles P-C4'-P energy: -3.777 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: 3 ===================================== Write number: 180 Temperature: 0.950000 Total energy: -32.978113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.978113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.978113 (E_RNA) where: Base-Base interactions energy: -10.755 where: short stacking energy: -10.755 Base-Backbone interact. energy: -0.002 local terms energy: -22.221798 where: bonds (distance) C4'-P energy: -4.637 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.751 flat angles P-C4'-P energy: -3.132 tors. eta vs tors. theta energy: -3.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 180 Temperature: 1.000000 Total energy: -32.412919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.412919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.412919 (E_RNA) where: Base-Base interactions energy: -11.749 where: short stacking energy: -11.749 Base-Backbone interact. energy: -0.017 local terms energy: -20.647493 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -4.857 flat angles P-C4'-P energy: -2.857 tors. eta vs tors. theta energy: -1.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 180 Temperature: 1.050000 Total energy: -30.795112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.795112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.795112 (E_RNA) where: Base-Base interactions energy: -8.907 where: short stacking energy: -8.907 Base-Backbone interact. energy: -0.000 local terms energy: -21.888224 where: bonds (distance) C4'-P energy: -4.397 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -3.339 flat angles P-C4'-P energy: -4.710 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: 6 ===================================== Write number: 180 Temperature: 1.100000 Total energy: -30.125468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.125468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.125468 (E_RNA) where: Base-Base interactions energy: -7.999 where: short stacking energy: -7.999 Base-Backbone interact. energy: -0.101 local terms energy: -22.025507 where: bonds (distance) C4'-P energy: -5.275 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -4.187 flat angles P-C4'-P energy: -4.262 tors. eta vs tors. theta energy: -2.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 180 Temperature: 1.150000 Total energy: -25.211549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.211549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.211549 (E_RNA) where: Base-Base interactions energy: -8.734 where: short stacking energy: -8.734 Base-Backbone interact. energy: -0.015 local terms energy: -16.462596 where: bonds (distance) C4'-P energy: -3.475 bonds (distance) P-C4' energy: -4.807 flat angles C4'-P-C4' energy: -4.978 flat angles P-C4'-P energy: -3.690 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: 7, replica: 5 ===================================== Write number: 180 Temperature: 1.200000 Total energy: -30.059859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.059859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.059859 (E_RNA) where: Base-Base interactions energy: -12.049 where: short stacking energy: -12.049 Base-Backbone interact. energy: -0.003 local terms energy: -18.007776 where: bonds (distance) C4'-P energy: -2.406 bonds (distance) P-C4' energy: -6.020 flat angles C4'-P-C4' energy: -3.575 flat angles P-C4'-P energy: -4.372 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: 8, replica: 8 ===================================== Write number: 180 Temperature: 1.250000 Total energy: -26.425097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.425097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.425097 (E_RNA) where: Base-Base interactions energy: -5.917 where: short stacking energy: -5.917 Base-Backbone interact. energy: -0.025 local terms energy: -20.483948 where: bonds (distance) C4'-P energy: -5.027 bonds (distance) P-C4' energy: -5.467 flat angles C4'-P-C4' energy: -5.102 flat angles P-C4'-P energy: -3.060 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: 9, replica: 7 ===================================== Write number: 180 Temperature: 1.300000 Total energy: -24.235080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.235080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.235080 (E_RNA) where: Base-Base interactions energy: -8.152 where: short stacking energy: -8.152 Base-Backbone interact. energy: -0.004 local terms energy: -16.079132 where: bonds (distance) C4'-P energy: -4.628 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -2.985 flat angles P-C4'-P energy: -2.347 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: 1 ===================================== Write number: 180 Temperature: 1.350000 Total energy: -22.361558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.361558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.361558 (E_RNA) where: Base-Base interactions energy: -3.152 where: short stacking energy: -3.152 Base-Backbone interact. energy: -0.050 local terms energy: -19.159328 where: bonds (distance) C4'-P energy: -5.275 bonds (distance) P-C4' energy: -5.516 flat angles C4'-P-C4' energy: -5.288 flat angles P-C4'-P energy: -4.446 tors. eta vs tors. theta energy: 1.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 181 Temperature: 0.900000 Total energy: -32.075642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.075642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.075642 (E_RNA) where: Base-Base interactions energy: -7.995 where: short stacking energy: -7.995 Base-Backbone interact. energy: -0.000 local terms energy: -24.080466 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.477 flat angles P-C4'-P energy: -2.925 tors. eta vs tors. theta energy: -5.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 181 Temperature: 0.950000 Total energy: -36.895252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.895252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.895252 (E_RNA) where: Base-Base interactions energy: -15.454 where: short stacking energy: -15.454 Base-Backbone interact. energy: -0.001 local terms energy: -21.439722 where: bonds (distance) C4'-P energy: -4.911 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -4.870 flat angles P-C4'-P energy: -1.550 tors. eta vs tors. theta energy: -4.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 181 Temperature: 1.000000 Total energy: -35.115293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.115293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.115293 (E_RNA) where: Base-Base interactions energy: -12.968 where: short stacking energy: -12.968 Base-Backbone interact. energy: -0.000 local terms energy: -22.147074 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.503 flat angles P-C4'-P energy: -3.838 tors. eta vs tors. theta energy: -2.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 181 Temperature: 1.050000 Total energy: -36.809005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.809005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.809005 (E_RNA) where: Base-Base interactions energy: -14.494 where: short stacking energy: -14.494 Base-Backbone interact. energy: -0.000 local terms energy: -22.314975 where: bonds (distance) C4'-P energy: -3.698 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.553 flat angles P-C4'-P energy: -4.126 tors. eta vs tors. theta energy: -3.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 181 Temperature: 1.100000 Total energy: -28.422839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.422839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.422839 (E_RNA) where: Base-Base interactions energy: -9.566 where: short stacking energy: -9.566 Base-Backbone interact. energy: -0.172 local terms energy: -18.684446 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.607 flat angles P-C4'-P energy: -2.131 tors. eta vs tors. theta energy: 0.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 181 Temperature: 1.150000 Total energy: -31.377874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.377874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.377874 (E_RNA) where: Base-Base interactions energy: -11.392 where: short stacking energy: -11.392 Base-Backbone interact. energy: -0.018 local terms energy: -19.967900 where: bonds (distance) C4'-P energy: -4.919 bonds (distance) P-C4' energy: -4.215 flat angles C4'-P-C4' energy: -4.814 flat angles P-C4'-P energy: -3.854 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: 2 ===================================== Write number: 181 Temperature: 1.200000 Total energy: -25.515654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.515654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.515654 (E_RNA) where: Base-Base interactions energy: -7.267 where: short stacking energy: -7.267 Base-Backbone interact. energy: -0.094 local terms energy: -18.154036 where: bonds (distance) C4'-P energy: -4.421 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -2.771 flat angles P-C4'-P energy: -3.584 tors. eta vs tors. theta energy: -1.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 181 Temperature: 1.250000 Total energy: -31.077836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.077836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.077836 (E_RNA) where: Base-Base interactions energy: -10.322 where: short stacking energy: -10.322 Base-Backbone interact. energy: -0.050 local terms energy: -20.705582 where: bonds (distance) C4'-P energy: -4.227 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -2.699 flat angles P-C4'-P energy: -3.952 tors. eta vs tors. theta energy: -3.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 181 Temperature: 1.300000 Total energy: -25.543244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.543244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.543244 (E_RNA) where: Base-Base interactions energy: -7.898 where: short stacking energy: -7.898 Base-Backbone interact. energy: -0.000 local terms energy: -17.645013 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -4.410 flat angles P-C4'-P energy: -2.624 tors. eta vs tors. theta energy: -0.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 181 Temperature: 1.350000 Total energy: -24.932159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.932159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.932159 (E_RNA) where: Base-Base interactions energy: -7.730 where: short stacking energy: -7.730 Base-Backbone interact. energy: -0.000 local terms energy: -17.201299 where: bonds (distance) C4'-P energy: -2.613 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -4.818 flat angles P-C4'-P energy: -2.944 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: 1, replica: 4 ===================================== Write number: 182 Temperature: 0.900000 Total energy: -29.201395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.201395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.201395 (E_RNA) where: Base-Base interactions energy: -11.434 where: short stacking energy: -11.434 Base-Backbone interact. energy: -0.029 local terms energy: -17.738050 where: bonds (distance) C4'-P energy: -4.787 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.780 flat angles P-C4'-P energy: -1.438 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: 2, replica: 9 ===================================== Write number: 182 Temperature: 0.950000 Total energy: -31.060423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.060423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.060423 (E_RNA) where: Base-Base interactions energy: -11.864 where: short stacking energy: -11.864 Base-Backbone interact. energy: -0.072 local terms energy: -19.124751 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -4.835 flat angles P-C4'-P energy: -3.302 tors. eta vs tors. theta energy: -0.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 182 Temperature: 1.000000 Total energy: -33.912890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.912890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.912890 (E_RNA) where: Base-Base interactions energy: -14.304 where: short stacking energy: -14.304 Base-Backbone interact. energy: -0.001 local terms energy: -19.607891 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -3.243 flat angles C4'-P-C4' energy: -5.240 flat angles P-C4'-P energy: -3.098 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: 4, replica: 10 ===================================== Write number: 182 Temperature: 1.050000 Total energy: -31.702569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.702569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.702569 (E_RNA) where: Base-Base interactions energy: -11.763 where: short stacking energy: -11.763 Base-Backbone interact. energy: -0.069 local terms energy: -19.871055 where: bonds (distance) C4'-P energy: -4.663 bonds (distance) P-C4' energy: -4.621 flat angles C4'-P-C4' energy: -5.433 flat angles P-C4'-P energy: -3.188 tors. eta vs tors. theta energy: -1.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 182 Temperature: 1.100000 Total energy: -29.847258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.847258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.847258 (E_RNA) where: Base-Base interactions energy: -8.684 where: short stacking energy: -8.684 Base-Backbone interact. energy: -0.265 local terms energy: -20.898606 where: bonds (distance) C4'-P energy: -4.865 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -4.463 flat angles P-C4'-P energy: -2.514 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: 6, replica: 5 ===================================== Write number: 182 Temperature: 1.150000 Total energy: -24.741951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.741951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.741951 (E_RNA) where: Base-Base interactions energy: -6.815 where: short stacking energy: -6.815 Base-Backbone interact. energy: -0.000 local terms energy: -17.926480 where: bonds (distance) C4'-P energy: -4.041 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -3.409 flat angles P-C4'-P energy: -2.215 tors. eta vs tors. theta energy: -2.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 182 Temperature: 1.200000 Total energy: -23.531311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.531311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.531311 (E_RNA) where: Base-Base interactions energy: -7.995 where: short stacking energy: -7.995 Base-Backbone interact. energy: -0.093 local terms energy: -15.443488 where: bonds (distance) C4'-P energy: -2.568 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -4.380 flat angles P-C4'-P energy: -3.454 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: 2 ===================================== Write number: 182 Temperature: 1.250000 Total energy: -28.363860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.363860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.363860 (E_RNA) where: Base-Base interactions energy: -8.118 where: short stacking energy: -8.165 Base-Backbone interact. energy: -0.000 local terms energy: -20.245727 where: bonds (distance) C4'-P energy: -4.778 bonds (distance) P-C4' energy: -5.469 flat angles C4'-P-C4' energy: -4.011 flat angles P-C4'-P energy: -4.100 tors. eta vs tors. theta energy: -1.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 182 Temperature: 1.300000 Total energy: -34.012509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.012509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.012509 (E_RNA) where: Base-Base interactions energy: -10.621 where: short stacking energy: -10.621 Base-Backbone interact. energy: -0.011 local terms energy: -23.381028 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -4.354 flat angles P-C4'-P energy: -4.284 tors. eta vs tors. theta energy: -4.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 182 Temperature: 1.350000 Total energy: -25.233488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.233488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.233488 (E_RNA) where: Base-Base interactions energy: -7.478 where: short stacking energy: -7.778 Base-Backbone interact. energy: -0.000 local terms energy: -17.755681 where: bonds (distance) C4'-P energy: -1.491 bonds (distance) P-C4' energy: -4.935 flat angles C4'-P-C4' energy: -4.254 flat angles P-C4'-P energy: -3.882 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: 1, replica: 4 ===================================== Write number: 183 Temperature: 0.900000 Total energy: -32.254118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.254118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.254118 (E_RNA) where: Base-Base interactions energy: -9.225 where: short stacking energy: -9.225 Base-Backbone interact. energy: -0.000 local terms energy: -23.029195 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.574 flat angles P-C4'-P energy: -3.853 tors. eta vs tors. theta energy: -2.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 183 Temperature: 0.950000 Total energy: -30.506277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.506277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.506277 (E_RNA) where: Base-Base interactions energy: -10.785 where: short stacking energy: -10.785 Base-Backbone interact. energy: -0.000 local terms energy: -19.721386 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -3.759 flat angles C4'-P-C4' energy: -5.079 flat angles P-C4'-P energy: -3.615 tors. eta vs tors. theta energy: -2.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 183 Temperature: 1.000000 Total energy: -29.230290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.230290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.230290 (E_RNA) where: Base-Base interactions energy: -7.785 where: short stacking energy: -7.785 Base-Backbone interact. energy: -0.000 local terms energy: -21.444847 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -4.954 flat angles P-C4'-P energy: -3.739 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: 4, replica: 6 ===================================== Write number: 183 Temperature: 1.050000 Total energy: -34.313042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.313042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.313042 (E_RNA) where: Base-Base interactions energy: -12.302 where: short stacking energy: -12.302 Base-Backbone interact. energy: -0.000 local terms energy: -22.010709 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.429 flat angles P-C4'-P energy: -2.747 tors. eta vs tors. theta energy: -2.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 183 Temperature: 1.100000 Total energy: -33.798655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.798655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.798655 (E_RNA) where: Base-Base interactions energy: -11.458 where: short stacking energy: -11.458 Base-Backbone interact. energy: -0.000 local terms energy: -22.340744 where: bonds (distance) C4'-P energy: -4.865 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -4.235 flat angles P-C4'-P energy: -4.159 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: 6, replica: 7 ===================================== Write number: 183 Temperature: 1.150000 Total energy: -30.963484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.963484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.963484 (E_RNA) where: Base-Base interactions energy: -12.049 where: short stacking energy: -12.049 Base-Backbone interact. energy: -0.000 local terms energy: -18.914536 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -3.989 flat angles P-C4'-P energy: -1.754 tors. eta vs tors. theta energy: -2.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 183 Temperature: 1.200000 Total energy: -26.846412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.846412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.846412 (E_RNA) where: Base-Base interactions energy: -9.416 where: short stacking energy: -8.848 Base-Backbone interact. energy: -0.074 local terms energy: -17.356722 where: bonds (distance) C4'-P energy: -3.429 bonds (distance) P-C4' energy: -4.709 flat angles C4'-P-C4' energy: -5.168 flat angles P-C4'-P energy: -2.026 tors. eta vs tors. theta energy: -2.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 183 Temperature: 1.250000 Total energy: -24.364576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.364576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.364576 (E_RNA) where: Base-Base interactions energy: -5.776 where: short stacking energy: -5.776 Base-Backbone interact. energy: -0.000 local terms energy: -18.588107 where: bonds (distance) C4'-P energy: -5.089 bonds (distance) P-C4' energy: -5.467 flat angles C4'-P-C4' energy: -4.921 flat angles P-C4'-P energy: -4.067 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: 2 ===================================== Write number: 183 Temperature: 1.300000 Total energy: -25.863953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.863953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.863953 (E_RNA) where: Base-Base interactions energy: -6.805 where: short stacking energy: -6.805 Base-Backbone interact. energy: -0.001 local terms energy: -19.057962 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -4.079 flat angles P-C4'-P energy: -4.221 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: 10, replica: 8 ===================================== Write number: 183 Temperature: 1.350000 Total energy: -24.442708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.442708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.442708 (E_RNA) where: Base-Base interactions energy: -7.352 where: short stacking energy: -7.352 Base-Backbone interact. energy: -0.069 local terms energy: -17.021237 where: bonds (distance) C4'-P energy: -4.911 bonds (distance) P-C4' energy: -3.046 flat angles C4'-P-C4' energy: -4.223 flat angles P-C4'-P energy: -4.514 tors. eta vs tors. theta energy: -0.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 184 Temperature: 0.900000 Total energy: -38.538882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.538882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.538882 (E_RNA) where: Base-Base interactions energy: -15.651 where: short stacking energy: -15.651 Base-Backbone interact. energy: -0.002 local terms energy: -22.885296 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -4.413 flat angles C4'-P-C4' energy: -5.642 flat angles P-C4'-P energy: -4.225 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: 2, replica: 3 ===================================== Write number: 184 Temperature: 0.950000 Total energy: -33.139763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.139763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.139763 (E_RNA) where: Base-Base interactions energy: -15.208 where: short stacking energy: -15.208 Base-Backbone interact. energy: -0.000 local terms energy: -17.931085 where: bonds (distance) C4'-P energy: -3.830 bonds (distance) P-C4' energy: -4.787 flat angles C4'-P-C4' energy: -4.209 flat angles P-C4'-P energy: -3.572 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: 6 ===================================== Write number: 184 Temperature: 1.000000 Total energy: -32.063137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.063137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.063137 (E_RNA) where: Base-Base interactions energy: -7.536 where: short stacking energy: -7.536 Base-Backbone interact. energy: -0.002 local terms energy: -24.525361 where: bonds (distance) C4'-P energy: -4.628 bonds (distance) P-C4' energy: -6.020 flat angles C4'-P-C4' energy: -5.908 flat angles P-C4'-P energy: -4.771 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: 4, replica: 9 ===================================== Write number: 184 Temperature: 1.050000 Total energy: -34.327797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.327797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.327797 (E_RNA) where: Base-Base interactions energy: -15.319 where: short stacking energy: -15.319 Base-Backbone interact. energy: -0.010 local terms energy: -18.998394 where: bonds (distance) C4'-P energy: -3.189 bonds (distance) P-C4' energy: -5.498 flat angles C4'-P-C4' energy: -5.678 flat angles P-C4'-P energy: -0.825 tors. eta vs tors. theta energy: -3.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 184 Temperature: 1.100000 Total energy: -31.205981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.205981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.205981 (E_RNA) where: Base-Base interactions energy: -8.006 where: short stacking energy: -8.006 Base-Backbone interact. energy: -0.000 local terms energy: -23.199881 where: bonds (distance) C4'-P energy: -4.865 bonds (distance) P-C4' energy: -5.547 flat angles C4'-P-C4' energy: -5.207 flat angles P-C4'-P energy: -3.208 tors. eta vs tors. theta energy: -4.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 184 Temperature: 1.150000 Total energy: -31.235570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.235570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.235570 (E_RNA) where: Base-Base interactions energy: -10.606 where: short stacking energy: -10.606 Base-Backbone interact. energy: -0.081 local terms energy: -20.548229 where: bonds (distance) C4'-P energy: -4.124 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.745 flat angles P-C4'-P energy: -4.589 tors. eta vs tors. theta energy: -1.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 184 Temperature: 1.200000 Total energy: -29.334900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.334900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.334900 (E_RNA) where: Base-Base interactions energy: -9.941 where: short stacking energy: -9.941 Base-Backbone interact. energy: -0.015 local terms energy: -19.379195 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -4.642 flat angles C4'-P-C4' energy: -2.873 flat angles P-C4'-P energy: -4.244 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: 5 ===================================== Write number: 184 Temperature: 1.250000 Total energy: -23.553152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.553152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.553152 (E_RNA) where: Base-Base interactions energy: -7.348 where: short stacking energy: -7.348 Base-Backbone interact. energy: -0.004 local terms energy: -16.200204 where: bonds (distance) C4'-P energy: -4.137 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -3.597 flat angles P-C4'-P energy: -3.514 tors. eta vs tors. theta energy: 0.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 184 Temperature: 1.300000 Total energy: -27.272013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.272013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.272013 (E_RNA) where: Base-Base interactions energy: -9.114 where: short stacking energy: -9.114 Base-Backbone interact. energy: -0.001 local terms energy: -18.157072 where: bonds (distance) C4'-P energy: -4.227 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -4.557 flat angles P-C4'-P energy: -3.726 tors. eta vs tors. theta energy: -0.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 184 Temperature: 1.350000 Total energy: -28.124843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.124843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.124843 (E_RNA) where: Base-Base interactions energy: -10.516 where: short stacking energy: -10.516 Base-Backbone interact. energy: -0.000 local terms energy: -17.608469 where: bonds (distance) C4'-P energy: -4.716 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.508 flat angles P-C4'-P energy: -1.331 tors. eta vs tors. theta energy: -1.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 185 Temperature: 0.900000 Total energy: -35.749269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.749269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.749269 (E_RNA) where: Base-Base interactions energy: -14.656 where: short stacking energy: -14.656 Base-Backbone interact. energy: -0.180 local terms energy: -20.913962 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -5.261 flat angles C4'-P-C4' energy: -4.444 flat angles P-C4'-P energy: -2.391 tors. eta vs tors. theta energy: -3.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 185 Temperature: 0.950000 Total energy: -35.023009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.023009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.023009 (E_RNA) where: Base-Base interactions energy: -11.583 where: short stacking energy: -11.583 Base-Backbone interact. energy: -0.000 local terms energy: -23.440203 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.551 flat angles C4'-P-C4' energy: -4.532 flat angles P-C4'-P energy: -3.936 tors. eta vs tors. theta energy: -4.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 185 Temperature: 1.000000 Total energy: -34.257019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.257019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.257019 (E_RNA) where: Base-Base interactions energy: -12.410 where: short stacking energy: -12.410 Base-Backbone interact. energy: -0.000 local terms energy: -21.846590 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -3.620 flat angles P-C4'-P energy: -3.323 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: 4, replica: 7 ===================================== Write number: 185 Temperature: 1.050000 Total energy: -29.290827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.290827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.290827 (E_RNA) where: Base-Base interactions energy: -9.997 where: short stacking energy: -9.997 Base-Backbone interact. energy: -0.008 local terms energy: -19.286390 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -4.455 flat angles C4'-P-C4' energy: -4.075 flat angles P-C4'-P energy: -4.524 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: 5, replica: 9 ===================================== Write number: 185 Temperature: 1.100000 Total energy: -27.522936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.522936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.522936 (E_RNA) where: Base-Base interactions energy: -7.646 where: short stacking energy: -7.646 Base-Backbone interact. energy: -0.558 local terms energy: -19.318694 where: bonds (distance) C4'-P energy: -4.600 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.978 flat angles P-C4'-P energy: -3.599 tors. eta vs tors. theta energy: -0.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 185 Temperature: 1.150000 Total energy: -35.361017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.361017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.361017 (E_RNA) where: Base-Base interactions energy: -16.020 where: short stacking energy: -16.083 Base-Backbone interact. energy: -0.075 local terms energy: -19.266590 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.585 flat angles P-C4'-P energy: -0.150 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: 7, replica: 10 ===================================== Write number: 185 Temperature: 1.200000 Total energy: -24.867901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.867901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.867901 (E_RNA) where: Base-Base interactions energy: -5.614 where: short stacking energy: -6.495 Base-Backbone interact. energy: -0.017 local terms energy: -19.237095 where: bonds (distance) C4'-P energy: -4.227 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.416 flat angles P-C4'-P energy: -3.609 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: 8 ===================================== Write number: 185 Temperature: 1.250000 Total energy: -26.642692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.642692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.642692 (E_RNA) where: Base-Base interactions energy: -7.924 where: short stacking energy: -7.924 Base-Backbone interact. energy: -0.000 local terms energy: -18.718583 where: bonds (distance) C4'-P energy: -3.871 bonds (distance) P-C4' energy: -4.684 flat angles C4'-P-C4' energy: -4.897 flat angles P-C4'-P energy: -3.067 tors. eta vs tors. theta energy: -2.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 185 Temperature: 1.300000 Total energy: -24.249877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.249877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.249877 (E_RNA) where: Base-Base interactions energy: -7.341 where: short stacking energy: -7.341 Base-Backbone interact. energy: -0.094 local terms energy: -16.815180 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -2.354 flat angles C4'-P-C4' energy: -4.483 flat angles P-C4'-P energy: -2.911 tors. eta vs tors. theta energy: -1.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 185 Temperature: 1.350000 Total energy: -27.070163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.070163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.070163 (E_RNA) where: Base-Base interactions energy: -8.148 where: short stacking energy: -6.833 Base-Backbone interact. energy: -0.092 local terms energy: -18.830247 where: bonds (distance) C4'-P energy: -4.397 bonds (distance) P-C4' energy: -4.028 flat angles C4'-P-C4' energy: -4.530 flat angles P-C4'-P energy: -4.837 tors. eta vs tors. theta energy: -1.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 186 Temperature: 0.900000 Total energy: -32.435543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.435543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.435543 (E_RNA) where: Base-Base interactions energy: -10.288 where: short stacking energy: -10.288 Base-Backbone interact. energy: -0.100 local terms energy: -22.047610 where: bonds (distance) C4'-P energy: -4.840 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -3.679 flat angles P-C4'-P energy: -4.069 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: 2, replica: 4 ===================================== Write number: 186 Temperature: 0.950000 Total energy: -31.802438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.802438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.802438 (E_RNA) where: Base-Base interactions energy: -11.357 where: short stacking energy: -11.357 Base-Backbone interact. energy: -0.002 local terms energy: -20.443723 where: bonds (distance) C4'-P energy: -4.547 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -4.886 flat angles P-C4'-P energy: -3.335 tors. eta vs tors. theta energy: -2.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 186 Temperature: 1.000000 Total energy: -32.147388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.147388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.147388 (E_RNA) where: Base-Base interactions energy: -10.747 where: short stacking energy: -10.747 Base-Backbone interact. energy: -0.000 local terms energy: -21.400226 where: bonds (distance) C4'-P energy: -4.911 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -4.916 flat angles P-C4'-P energy: -3.975 tors. eta vs tors. theta energy: -2.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 186 Temperature: 1.050000 Total energy: -31.880092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.880092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.880092 (E_RNA) where: Base-Base interactions energy: -11.902 where: short stacking energy: -11.902 Base-Backbone interact. energy: -0.044 local terms energy: -19.934417 where: bonds (distance) C4'-P energy: -4.397 bonds (distance) P-C4' energy: -5.231 flat angles C4'-P-C4' energy: -4.510 flat angles P-C4'-P energy: -3.860 tors. eta vs tors. theta energy: -1.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 186 Temperature: 1.100000 Total energy: -30.978256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.978256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.978256 (E_RNA) where: Base-Base interactions energy: -12.736 where: short stacking energy: -12.736 Base-Backbone interact. energy: -0.017 local terms energy: -18.224927 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.547 flat angles C4'-P-C4' energy: -3.809 flat angles P-C4'-P energy: -2.160 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: 6, replica: 9 ===================================== Write number: 186 Temperature: 1.150000 Total energy: -28.320710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.320710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.320710 (E_RNA) where: Base-Base interactions energy: -6.215 where: short stacking energy: -6.215 Base-Backbone interact. energy: -0.000 local terms energy: -22.105981 where: bonds (distance) C4'-P energy: -5.167 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -3.599 flat angles P-C4'-P energy: -3.293 tors. eta vs tors. theta energy: -4.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 186 Temperature: 1.200000 Total energy: -26.976707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.976707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.976707 (E_RNA) where: Base-Base interactions energy: -5.981 where: short stacking energy: -5.981 Base-Backbone interact. energy: -0.001 local terms energy: -20.994781 where: bonds (distance) C4'-P energy: -3.271 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.321 flat angles P-C4'-P energy: -4.094 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: 8, replica: 10 ===================================== Write number: 186 Temperature: 1.250000 Total energy: -29.451534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.451534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.451534 (E_RNA) where: Base-Base interactions energy: -11.193 where: short stacking energy: -11.193 Base-Backbone interact. energy: -0.019 local terms energy: -18.239459 where: bonds (distance) C4'-P energy: -3.676 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -4.854 flat angles P-C4'-P energy: -3.419 tors. eta vs tors. theta energy: -0.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 186 Temperature: 1.300000 Total energy: -28.668600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.668600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.668600 (E_RNA) where: Base-Base interactions energy: -6.121 where: short stacking energy: -6.121 Base-Backbone interact. energy: -0.000 local terms energy: -22.548071 where: bonds (distance) C4'-P energy: -4.227 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.533 flat angles P-C4'-P energy: -4.433 tors. eta vs tors. theta energy: -3.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 186 Temperature: 1.350000 Total energy: -25.404362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.404362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.404362 (E_RNA) where: Base-Base interactions energy: -7.178 where: short stacking energy: -7.178 Base-Backbone interact. energy: -0.000 local terms energy: -18.225641 where: bonds (distance) C4'-P energy: -4.120 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -3.939 flat angles P-C4'-P energy: -1.691 tors. eta vs tors. theta energy: -2.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 187 Temperature: 0.900000 Total energy: -35.250378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.250378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.250378 (E_RNA) where: Base-Base interactions energy: -11.733 where: short stacking energy: -11.733 Base-Backbone interact. energy: -0.005 local terms energy: -23.512500 where: bonds (distance) C4'-P energy: -4.297 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -5.205 flat angles P-C4'-P energy: -4.256 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: 7 ===================================== Write number: 187 Temperature: 0.950000 Total energy: -37.058737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.058737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.058737 (E_RNA) where: Base-Base interactions energy: -14.590 where: short stacking energy: -14.590 Base-Backbone interact. energy: -0.000 local terms energy: -22.469082 where: bonds (distance) C4'-P energy: -5.420 bonds (distance) P-C4' energy: -5.463 flat angles C4'-P-C4' energy: -3.512 flat angles P-C4'-P energy: -3.512 tors. eta vs tors. theta energy: -4.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 187 Temperature: 1.000000 Total energy: -34.657534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.657534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.657534 (E_RNA) where: Base-Base interactions energy: -13.444 where: short stacking energy: -13.444 Base-Backbone interact. energy: -0.000 local terms energy: -21.213821 where: bonds (distance) C4'-P energy: -4.157 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.100 flat angles P-C4'-P energy: -3.433 tors. eta vs tors. theta energy: -3.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 187 Temperature: 1.050000 Total energy: -30.772256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.772256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.772256 (E_RNA) where: Base-Base interactions energy: -10.510 where: short stacking energy: -10.510 Base-Backbone interact. energy: -0.000 local terms energy: -20.261809 where: bonds (distance) C4'-P energy: -4.919 bonds (distance) P-C4' energy: -4.618 flat angles C4'-P-C4' energy: -5.236 flat angles P-C4'-P energy: -3.940 tors. eta vs tors. theta energy: -1.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 187 Temperature: 1.100000 Total energy: -30.598615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.598615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.598615 (E_RNA) where: Base-Base interactions energy: -8.344 where: short stacking energy: -8.344 Base-Backbone interact. energy: -0.000 local terms energy: -22.254655 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -4.474 flat angles P-C4'-P energy: -3.607 tors. eta vs tors. theta energy: -3.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 187 Temperature: 1.150000 Total energy: -27.284075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.284075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.284075 (E_RNA) where: Base-Base interactions energy: -7.580 where: short stacking energy: -7.580 Base-Backbone interact. energy: -0.001 local terms energy: -19.702455 where: bonds (distance) C4'-P energy: -4.397 bonds (distance) P-C4' energy: -4.681 flat angles C4'-P-C4' energy: -5.538 flat angles P-C4'-P energy: -3.570 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: 7, replica: 9 ===================================== Write number: 187 Temperature: 1.200000 Total energy: -27.536236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.536236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.536236 (E_RNA) where: Base-Base interactions energy: -8.115 where: short stacking energy: -8.115 Base-Backbone interact. energy: -0.010 local terms energy: -19.411274 where: bonds (distance) C4'-P energy: -4.654 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.344 flat angles P-C4'-P energy: -2.855 tors. eta vs tors. theta energy: -0.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 187 Temperature: 1.250000 Total energy: -26.879949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.879949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.879949 (E_RNA) where: Base-Base interactions energy: -10.447 where: short stacking energy: -10.447 Base-Backbone interact. energy: -0.000 local terms energy: -16.433382 where: bonds (distance) C4'-P energy: -4.219 bonds (distance) P-C4' energy: -3.246 flat angles C4'-P-C4' energy: -4.762 flat angles P-C4'-P energy: -2.976 tors. eta vs tors. theta energy: -1.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 187 Temperature: 1.300000 Total energy: -27.422487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.422487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.422487 (E_RNA) where: Base-Base interactions energy: -9.415 where: short stacking energy: -9.415 Base-Backbone interact. energy: -0.069 local terms energy: -17.938816 where: bonds (distance) C4'-P energy: -3.490 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -4.102 flat angles P-C4'-P energy: -4.306 tors. eta vs tors. theta energy: -0.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 187 Temperature: 1.350000 Total energy: -30.695332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.695332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.695332 (E_RNA) where: Base-Base interactions energy: -10.791 where: short stacking energy: -10.791 Base-Backbone interact. energy: -0.062 local terms energy: -19.842360 where: bonds (distance) C4'-P energy: -4.725 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.865 flat angles P-C4'-P energy: -1.755 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: 1, replica: 7 ===================================== Write number: 188 Temperature: 0.900000 Total energy: -33.700685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.700685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.700685 (E_RNA) where: Base-Base interactions energy: -10.426 where: short stacking energy: -10.426 Base-Backbone interact. energy: -0.002 local terms energy: -23.272963 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -5.234 flat angles C4'-P-C4' energy: -5.274 flat angles P-C4'-P energy: -2.935 tors. eta vs tors. theta energy: -4.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 188 Temperature: 0.950000 Total energy: -33.037861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.037861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.037861 (E_RNA) where: Base-Base interactions energy: -10.696 where: short stacking energy: -10.696 Base-Backbone interact. energy: -0.001 local terms energy: -22.340954 where: bonds (distance) C4'-P energy: -3.909 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -5.185 flat angles P-C4'-P energy: -4.505 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: 3, replica: 1 ===================================== Write number: 188 Temperature: 1.000000 Total energy: -34.070070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.070070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.070070 (E_RNA) where: Base-Base interactions energy: -14.941 where: short stacking energy: -14.941 Base-Backbone interact. energy: -0.000 local terms energy: -19.129508 where: bonds (distance) C4'-P energy: -4.679 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -3.418 flat angles P-C4'-P energy: 0.459 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: 4, replica: 4 ===================================== Write number: 188 Temperature: 1.050000 Total energy: -33.322638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.322638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.322638 (E_RNA) where: Base-Base interactions energy: -14.043 where: short stacking energy: -14.043 Base-Backbone interact. energy: -0.000 local terms energy: -19.279553 where: bonds (distance) C4'-P energy: -1.893 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -4.954 flat angles P-C4'-P energy: -3.720 tors. eta vs tors. theta energy: -3.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 188 Temperature: 1.100000 Total energy: -28.176793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.176793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.176793 (E_RNA) where: Base-Base interactions energy: -9.439 where: short stacking energy: -9.439 Base-Backbone interact. energy: -0.000 local terms energy: -18.737583 where: bonds (distance) C4'-P energy: -4.501 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -4.905 flat angles P-C4'-P energy: -2.382 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: 6, replica: 6 ===================================== Write number: 188 Temperature: 1.150000 Total energy: -28.293412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.293412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.293412 (E_RNA) where: Base-Base interactions energy: -6.925 where: short stacking energy: -6.925 Base-Backbone interact. energy: -0.008 local terms energy: -21.359665 where: bonds (distance) C4'-P energy: -3.792 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -5.118 flat angles P-C4'-P energy: -4.151 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: 7, replica: 2 ===================================== Write number: 188 Temperature: 1.200000 Total energy: -30.578887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.578887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.578887 (E_RNA) where: Base-Base interactions energy: -8.563 where: short stacking energy: -8.563 Base-Backbone interact. energy: -0.000 local terms energy: -22.015337 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.566 flat angles C4'-P-C4' energy: -4.662 flat angles P-C4'-P energy: -4.265 tors. eta vs tors. theta energy: -2.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 188 Temperature: 1.250000 Total energy: -24.208494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.208494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.208494 (E_RNA) where: Base-Base interactions energy: -7.599 where: short stacking energy: -7.599 Base-Backbone interact. energy: -0.000 local terms energy: -16.609491 where: bonds (distance) C4'-P energy: -3.271 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -3.600 flat angles P-C4'-P energy: -3.034 tors. eta vs tors. theta energy: -1.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 188 Temperature: 1.300000 Total energy: -25.293599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.293599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.293599 (E_RNA) where: Base-Base interactions energy: -8.583 where: short stacking energy: -8.583 Base-Backbone interact. energy: -0.008 local terms energy: -16.702450 where: bonds (distance) C4'-P energy: -3.350 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.035 flat angles P-C4'-P energy: 0.111 tors. eta vs tors. theta energy: -2.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 188 Temperature: 1.350000 Total energy: -25.019971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.019971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.019971 (E_RNA) where: Base-Base interactions energy: -7.632 where: short stacking energy: -7.632 Base-Backbone interact. energy: -0.136 local terms energy: -17.252145 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -4.942 flat angles C4'-P-C4' energy: -3.464 flat angles P-C4'-P energy: -2.331 tors. eta vs tors. theta energy: -1.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 189 Temperature: 0.900000 Total energy: -39.169889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.169889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.169889 (E_RNA) where: Base-Base interactions energy: -13.491 where: short stacking energy: -13.491 Base-Backbone interact. energy: -0.000 local terms energy: -25.678771 where: bonds (distance) C4'-P energy: -4.679 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.333 flat angles P-C4'-P energy: -4.580 tors. eta vs tors. theta energy: -5.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 189 Temperature: 0.950000 Total energy: -38.339195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.339195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.339195 (E_RNA) where: Base-Base interactions energy: -16.297 where: short stacking energy: -16.297 Base-Backbone interact. energy: -0.001 local terms energy: -22.040976 where: bonds (distance) C4'-P energy: -4.191 bonds (distance) P-C4' energy: -5.065 flat angles C4'-P-C4' energy: -5.049 flat angles P-C4'-P energy: -3.640 tors. eta vs tors. theta energy: -4.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 189 Temperature: 1.000000 Total energy: -29.470310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.470310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.470310 (E_RNA) where: Base-Base interactions energy: -10.894 where: short stacking energy: -10.894 Base-Backbone interact. energy: -0.000 local terms energy: -18.576128 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -4.642 flat angles C4'-P-C4' energy: -5.678 flat angles P-C4'-P energy: -1.960 tors. eta vs tors. theta energy: -1.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 189 Temperature: 1.050000 Total energy: -33.792665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.792665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.792665 (E_RNA) where: Base-Base interactions energy: -12.487 where: short stacking energy: -12.487 Base-Backbone interact. energy: -0.007 local terms energy: -21.298085 where: bonds (distance) C4'-P energy: -4.207 bonds (distance) P-C4' energy: -5.100 flat angles C4'-P-C4' energy: -3.938 flat angles P-C4'-P energy: -3.870 tors. eta vs tors. theta energy: -4.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 189 Temperature: 1.100000 Total energy: -25.873011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.873011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.873011 (E_RNA) where: Base-Base interactions energy: -7.876 where: short stacking energy: -7.876 Base-Backbone interact. energy: -1.118 local terms energy: -16.878924 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.237 flat angles C4'-P-C4' energy: -2.064 flat angles P-C4'-P energy: -3.782 tors. eta vs tors. theta energy: -0.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 189 Temperature: 1.150000 Total energy: -25.294932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.294932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.294932 (E_RNA) where: Base-Base interactions energy: -7.290 where: short stacking energy: -7.290 Base-Backbone interact. energy: 0.159 local terms energy: -18.163887 where: bonds (distance) C4'-P energy: -5.010 bonds (distance) P-C4' energy: -5.065 flat angles C4'-P-C4' energy: -4.163 flat angles P-C4'-P energy: -4.294 tors. eta vs tors. theta energy: 0.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 189 Temperature: 1.200000 Total energy: -28.302949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.302949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.302949 (E_RNA) where: Base-Base interactions energy: -12.131 where: short stacking energy: -12.131 Base-Backbone interact. energy: -0.000 local terms energy: -16.171617 where: bonds (distance) C4'-P energy: -4.778 bonds (distance) P-C4' energy: -3.966 flat angles C4'-P-C4' energy: -3.510 flat angles P-C4'-P energy: -2.141 tors. eta vs tors. theta energy: -1.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 189 Temperature: 1.250000 Total energy: -26.523577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.523577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.523577 (E_RNA) where: Base-Base interactions energy: -7.207 where: short stacking energy: -7.207 Base-Backbone interact. energy: -0.000 local terms energy: -19.316059 where: bonds (distance) C4'-P energy: -4.628 bonds (distance) P-C4' energy: -5.463 flat angles C4'-P-C4' energy: -4.871 flat angles P-C4'-P energy: -1.609 tors. eta vs tors. theta energy: -2.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 189 Temperature: 1.300000 Total energy: -26.242754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.242754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.242754 (E_RNA) where: Base-Base interactions energy: -6.470 where: short stacking energy: -6.470 Base-Backbone interact. energy: -0.021 local terms energy: -19.751781 where: bonds (distance) C4'-P energy: -4.716 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -2.300 flat angles P-C4'-P energy: -4.553 tors. eta vs tors. theta energy: -2.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 189 Temperature: 1.350000 Total energy: -24.687195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.687195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.687195 (E_RNA) where: Base-Base interactions energy: -9.282 where: short stacking energy: -9.282 Base-Backbone interact. energy: 0.762 local terms energy: -16.167136 where: bonds (distance) C4'-P energy: -4.013 bonds (distance) P-C4' energy: -3.593 flat angles C4'-P-C4' energy: -4.975 flat angles P-C4'-P energy: -3.186 tors. eta vs tors. theta energy: -0.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 190 Temperature: 0.900000 Total energy: -34.378570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.378570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.378570 (E_RNA) where: Base-Base interactions energy: -12.654 where: short stacking energy: -12.654 Base-Backbone interact. energy: -0.001 local terms energy: -21.723637 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -4.449 flat angles P-C4'-P energy: -2.870 tors. eta vs tors. theta energy: -3.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 190 Temperature: 0.950000 Total energy: -31.123245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.123245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.123245 (E_RNA) where: Base-Base interactions energy: -11.617 where: short stacking energy: -11.617 Base-Backbone interact. energy: -0.000 local terms energy: -19.505993 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.547 flat angles C4'-P-C4' energy: -5.229 flat angles P-C4'-P energy: -3.739 tors. eta vs tors. theta energy: 0.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 190 Temperature: 1.000000 Total energy: -32.173168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.173168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.173168 (E_RNA) where: Base-Base interactions energy: -12.828 where: short stacking energy: -12.828 Base-Backbone interact. energy: 0.408 local terms energy: -19.752761 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -5.696 flat angles P-C4'-P energy: -0.861 tors. eta vs tors. theta energy: -2.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 190 Temperature: 1.050000 Total energy: -31.820850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.820850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.820850 (E_RNA) where: Base-Base interactions energy: -11.190 where: short stacking energy: -11.190 Base-Backbone interact. energy: -0.000 local terms energy: -20.630472 where: bonds (distance) C4'-P energy: -4.529 bonds (distance) P-C4' energy: -4.430 flat angles C4'-P-C4' energy: -5.069 flat angles P-C4'-P energy: -2.991 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: 5, replica: 8 ===================================== Write number: 190 Temperature: 1.100000 Total energy: -32.302216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.302216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.302216 (E_RNA) where: Base-Base interactions energy: -11.766 where: short stacking energy: -11.766 Base-Backbone interact. energy: -0.019 local terms energy: -20.517202 where: bonds (distance) C4'-P energy: -4.716 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -3.929 flat angles P-C4'-P energy: -2.901 tors. eta vs tors. theta energy: -2.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 190 Temperature: 1.150000 Total energy: -27.367226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.367226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.367226 (E_RNA) where: Base-Base interactions energy: -6.672 where: short stacking energy: -6.672 Base-Backbone interact. energy: -0.042 local terms energy: -20.652506 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.955 flat angles P-C4'-P energy: -1.809 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: 5 ===================================== Write number: 190 Temperature: 1.200000 Total energy: -28.082440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.082440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.082440 (E_RNA) where: Base-Base interactions energy: -10.570 where: short stacking energy: -10.570 Base-Backbone interact. energy: -0.031 local terms energy: -17.481391 where: bonds (distance) C4'-P energy: -4.413 bonds (distance) P-C4' energy: -4.289 flat angles C4'-P-C4' energy: -4.164 flat angles P-C4'-P energy: -4.874 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: 8, replica: 6 ===================================== Write number: 190 Temperature: 1.250000 Total energy: -26.448625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.448625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.448625 (E_RNA) where: Base-Base interactions energy: -11.225 where: short stacking energy: -11.225 Base-Backbone interact. energy: -0.054 local terms energy: -15.170402 where: bonds (distance) C4'-P energy: -5.205 bonds (distance) P-C4' energy: -3.056 flat angles C4'-P-C4' energy: -2.972 flat angles P-C4'-P energy: -1.602 tors. eta vs tors. theta energy: -2.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 190 Temperature: 1.300000 Total energy: -27.923493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.923493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.923493 (E_RNA) where: Base-Base interactions energy: -8.580 where: short stacking energy: -8.580 Base-Backbone interact. energy: -0.000 local terms energy: -19.343532 where: bonds (distance) C4'-P energy: -3.661 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -3.706 flat angles P-C4'-P energy: -1.923 tors. eta vs tors. theta energy: -3.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 190 Temperature: 1.350000 Total energy: -26.412513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.412513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.412513 (E_RNA) where: Base-Base interactions energy: -9.031 where: short stacking energy: -9.031 Base-Backbone interact. energy: -0.000 local terms energy: -17.381293 where: bonds (distance) C4'-P energy: -4.315 bonds (distance) P-C4' energy: -4.547 flat angles C4'-P-C4' energy: -4.024 flat angles P-C4'-P energy: -2.102 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: 1, replica: 1 ===================================== Write number: 191 Temperature: 0.900000 Total energy: -33.892838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.892838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.892838 (E_RNA) where: Base-Base interactions energy: -11.225 where: short stacking energy: -11.225 Base-Backbone interact. energy: -0.000 local terms energy: -22.668109 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -5.050 flat angles C4'-P-C4' energy: -4.573 flat angles P-C4'-P energy: -4.390 tors. eta vs tors. theta energy: -3.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 191 Temperature: 0.950000 Total energy: -34.517859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.517859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.517859 (E_RNA) where: Base-Base interactions energy: -12.784 where: short stacking energy: -12.784 Base-Backbone interact. energy: -0.000 local terms energy: -21.733722 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -3.872 flat angles P-C4'-P energy: -2.797 tors. eta vs tors. theta energy: -4.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 191 Temperature: 1.000000 Total energy: -29.628499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.628499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.628499 (E_RNA) where: Base-Base interactions energy: -11.979 where: short stacking energy: -11.979 Base-Backbone interact. energy: 0.402 local terms energy: -18.050950 where: bonds (distance) C4'-P energy: -3.003 bonds (distance) P-C4' energy: -5.265 flat angles C4'-P-C4' energy: -3.539 flat angles P-C4'-P energy: -3.135 tors. eta vs tors. theta energy: -3.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 191 Temperature: 1.050000 Total energy: -29.693836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.693836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.693836 (E_RNA) where: Base-Base interactions energy: -7.820 where: short stacking energy: -7.820 Base-Backbone interact. energy: -0.000 local terms energy: -21.872971 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -5.524 flat angles P-C4'-P energy: -4.686 tors. eta vs tors. theta energy: -1.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 191 Temperature: 1.100000 Total energy: -31.329825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.329825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.329825 (E_RNA) where: Base-Base interactions energy: -13.252 where: short stacking energy: -13.252 Base-Backbone interact. energy: -0.000 local terms energy: -18.077339 where: bonds (distance) C4'-P energy: -2.985 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -2.575 flat angles P-C4'-P energy: -2.921 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: 6, replica: 5 ===================================== Write number: 191 Temperature: 1.150000 Total energy: -27.542678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.542678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.542678 (E_RNA) where: Base-Base interactions energy: -9.750 where: short stacking energy: -9.750 Base-Backbone interact. energy: -0.079 local terms energy: -17.713442 where: bonds (distance) C4'-P energy: -4.609 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -3.833 flat angles P-C4'-P energy: -3.216 tors. eta vs tors. theta energy: -0.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 191 Temperature: 1.200000 Total energy: -33.614959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.614959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.614959 (E_RNA) where: Base-Base interactions energy: -12.578 where: short stacking energy: -12.578 Base-Backbone interact. energy: -0.000 local terms energy: -21.036590 where: bonds (distance) C4'-P energy: -3.259 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.878 flat angles P-C4'-P energy: -3.500 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: 8, replica: 10 ===================================== Write number: 191 Temperature: 1.250000 Total energy: -24.919879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.919879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.919879 (E_RNA) where: Base-Base interactions energy: -7.626 where: short stacking energy: -7.626 Base-Backbone interact. energy: -0.026 local terms energy: -17.267892 where: bonds (distance) C4'-P energy: -4.405 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -2.980 flat angles P-C4'-P energy: -4.476 tors. eta vs tors. theta energy: 0.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 191 Temperature: 1.300000 Total energy: -26.947271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.947271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.947271 (E_RNA) where: Base-Base interactions energy: -7.709 where: short stacking energy: -7.709 Base-Backbone interact. energy: -0.066 local terms energy: -19.171958 where: bonds (distance) C4'-P energy: -4.725 bonds (distance) P-C4' energy: -5.065 flat angles C4'-P-C4' energy: -5.119 flat angles P-C4'-P energy: -3.272 tors. eta vs tors. theta energy: -0.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 191 Temperature: 1.350000 Total energy: -27.038243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.038243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.038243 (E_RNA) where: Base-Base interactions energy: -9.664 where: short stacking energy: -9.664 Base-Backbone interact. energy: -0.001 local terms energy: -17.373027 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -3.736 flat angles C4'-P-C4' energy: -3.312 flat angles P-C4'-P energy: -3.102 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: 1, replica: 4 ===================================== Write number: 192 Temperature: 0.900000 Total energy: -32.520195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.520195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.520195 (E_RNA) where: Base-Base interactions energy: -12.154 where: short stacking energy: -12.154 Base-Backbone interact. energy: -0.000 local terms energy: -20.366070 where: bonds (distance) C4'-P energy: -4.120 bonds (distance) P-C4' energy: -5.494 flat angles C4'-P-C4' energy: -5.466 flat angles P-C4'-P energy: -4.477 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: 2, replica: 1 ===================================== Write number: 192 Temperature: 0.950000 Total energy: -36.379333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.379333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.379333 (E_RNA) where: Base-Base interactions energy: -13.240 where: short stacking energy: -13.240 Base-Backbone interact. energy: -0.000 local terms energy: -23.139420 where: bonds (distance) C4'-P energy: -4.911 bonds (distance) P-C4' energy: -4.681 flat angles C4'-P-C4' energy: -5.429 flat angles P-C4'-P energy: -3.758 tors. eta vs tors. theta energy: -4.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 192 Temperature: 1.000000 Total energy: -33.254951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.254951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.254951 (E_RNA) where: Base-Base interactions energy: -12.212 where: short stacking energy: -12.212 Base-Backbone interact. energy: -0.011 local terms energy: -21.032701 where: bonds (distance) C4'-P energy: -4.008 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.481 flat angles P-C4'-P energy: -2.300 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: 8 ===================================== Write number: 192 Temperature: 1.050000 Total energy: -29.834673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.834673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.834673 (E_RNA) where: Base-Base interactions energy: -7.255 where: short stacking energy: -7.255 Base-Backbone interact. energy: -0.005 local terms energy: -22.574251 where: bonds (distance) C4'-P energy: -3.544 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.995 flat angles P-C4'-P energy: -3.940 tors. eta vs tors. theta energy: -3.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 192 Temperature: 1.100000 Total energy: -33.913522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.913522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.913522 (E_RNA) where: Base-Base interactions energy: -13.247 where: short stacking energy: -13.247 Base-Backbone interact. energy: -0.001 local terms energy: -20.666369 where: bonds (distance) C4'-P energy: -4.778 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -4.087 flat angles P-C4'-P energy: -3.291 tors. eta vs tors. theta energy: -3.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 192 Temperature: 1.150000 Total energy: -28.279565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.279565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.279565 (E_RNA) where: Base-Base interactions energy: -7.794 where: short stacking energy: -7.794 Base-Backbone interact. energy: -0.000 local terms energy: -20.485284 where: bonds (distance) C4'-P energy: -3.839 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.536 flat angles P-C4'-P energy: -3.878 tors. eta vs tors. theta energy: -1.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 192 Temperature: 1.200000 Total energy: -25.887955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.887955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.887955 (E_RNA) where: Base-Base interactions energy: -7.057 where: short stacking energy: -7.057 Base-Backbone interact. energy: -0.000 local terms energy: -18.831209 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -5.787 flat angles C4'-P-C4' energy: -5.134 flat angles P-C4'-P energy: -2.065 tors. eta vs tors. theta energy: -0.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 192 Temperature: 1.250000 Total energy: -30.788479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.788479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.788479 (E_RNA) where: Base-Base interactions energy: -12.098 where: short stacking energy: -12.098 Base-Backbone interact. energy: -0.052 local terms energy: -18.638538 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -3.691 flat angles C4'-P-C4' energy: -4.674 flat angles P-C4'-P energy: -3.914 tors. eta vs tors. theta energy: -1.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 192 Temperature: 1.300000 Total energy: -24.188106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.188106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.188106 (E_RNA) where: Base-Base interactions energy: -5.718 where: short stacking energy: -5.718 Base-Backbone interact. energy: -0.102 local terms energy: -18.368273 where: bonds (distance) C4'-P energy: -5.275 bonds (distance) P-C4' energy: -4.100 flat angles C4'-P-C4' energy: -5.239 flat angles P-C4'-P energy: -4.069 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: 10, replica: 6 ===================================== Write number: 192 Temperature: 1.350000 Total energy: -26.142140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.142140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.142140 (E_RNA) where: Base-Base interactions energy: -6.413 where: short stacking energy: -6.413 Base-Backbone interact. energy: -0.000 local terms energy: -19.729452 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.494 flat angles C4'-P-C4' energy: -3.894 flat angles P-C4'-P energy: -3.947 tors. eta vs tors. theta energy: -1.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 193 Temperature: 0.900000 Total energy: -31.788357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.788357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.788357 (E_RNA) where: Base-Base interactions energy: -11.854 where: short stacking energy: -11.854 Base-Backbone interact. energy: -0.000 local terms energy: -19.934335 where: bonds (distance) C4'-P energy: -3.652 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -4.021 flat angles P-C4'-P energy: -4.006 tors. eta vs tors. theta energy: -2.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 193 Temperature: 0.950000 Total energy: -32.718555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.718555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.718555 (E_RNA) where: Base-Base interactions energy: -10.242 where: short stacking energy: -10.242 Base-Backbone interact. energy: -0.000 local terms energy: -22.476706 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.396 flat angles P-C4'-P energy: -3.745 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: 3, replica: 1 ===================================== Write number: 193 Temperature: 1.000000 Total energy: -32.881807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.881807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.881807 (E_RNA) where: Base-Base interactions energy: -12.309 where: short stacking energy: -12.309 Base-Backbone interact. energy: -0.000 local terms energy: -20.573256 where: bonds (distance) C4'-P energy: -3.891 bonds (distance) P-C4' energy: -3.956 flat angles C4'-P-C4' energy: -4.500 flat angles P-C4'-P energy: -3.923 tors. eta vs tors. theta energy: -4.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 193 Temperature: 1.050000 Total energy: -33.845059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.845059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.845059 (E_RNA) where: Base-Base interactions energy: -12.955 where: short stacking energy: -12.955 Base-Backbone interact. energy: -0.028 local terms energy: -20.861414 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.730 flat angles C4'-P-C4' energy: -5.009 flat angles P-C4'-P energy: -4.202 tors. eta vs tors. theta energy: -0.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 193 Temperature: 1.100000 Total energy: -28.536823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.536823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.536823 (E_RNA) where: Base-Base interactions energy: -7.785 where: short stacking energy: -7.785 Base-Backbone interact. energy: -0.059 local terms energy: -20.692784 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -4.873 flat angles P-C4'-P energy: -3.556 tors. eta vs tors. theta energy: -1.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 193 Temperature: 1.150000 Total energy: -26.417033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.417033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.417033 (E_RNA) where: Base-Base interactions energy: -8.145 where: short stacking energy: -8.145 Base-Backbone interact. energy: -0.002 local terms energy: -18.270463 where: bonds (distance) C4'-P energy: -5.159 bonds (distance) P-C4' energy: -5.491 flat angles C4'-P-C4' energy: -4.260 flat angles P-C4'-P energy: -3.176 tors. eta vs tors. theta energy: -0.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 193 Temperature: 1.200000 Total energy: -31.266800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.266800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.266800 (E_RNA) where: Base-Base interactions energy: -11.892 where: short stacking energy: -11.892 Base-Backbone interact. energy: -0.000 local terms energy: -19.374495 where: bonds (distance) C4'-P energy: -4.219 bonds (distance) P-C4' energy: -5.237 flat angles C4'-P-C4' energy: -4.960 flat angles P-C4'-P energy: -2.075 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: 8, replica: 9 ===================================== Write number: 193 Temperature: 1.250000 Total energy: -27.212720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.212720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.212720 (E_RNA) where: Base-Base interactions energy: -7.423 where: short stacking energy: -7.423 Base-Backbone interact. energy: -0.005 local terms energy: -19.784882 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -4.639 flat angles C4'-P-C4' energy: -3.596 flat angles P-C4'-P energy: -3.062 tors. eta vs tors. theta energy: -3.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 193 Temperature: 1.300000 Total energy: -30.406485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.406485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.406485 (E_RNA) where: Base-Base interactions energy: -11.192 where: short stacking energy: -11.192 Base-Backbone interact. energy: -0.000 local terms energy: -19.214809 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -4.392 flat angles C4'-P-C4' energy: -4.404 flat angles P-C4'-P energy: -2.499 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: 6 ===================================== Write number: 193 Temperature: 1.350000 Total energy: -26.963520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.963520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.963520 (E_RNA) where: Base-Base interactions energy: -10.362 where: short stacking energy: -10.362 Base-Backbone interact. energy: -0.111 local terms energy: -16.490180 where: bonds (distance) C4'-P energy: -3.892 bonds (distance) P-C4' energy: -4.410 flat angles C4'-P-C4' energy: -4.606 flat angles P-C4'-P energy: -2.871 tors. eta vs tors. theta energy: -0.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 194 Temperature: 0.900000 Total energy: -33.019768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.019768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.019768 (E_RNA) where: Base-Base interactions energy: -11.343 where: short stacking energy: -11.343 Base-Backbone interact. energy: -0.000 local terms energy: -21.677171 where: bonds (distance) C4'-P energy: -5.391 bonds (distance) P-C4' energy: -5.072 flat angles C4'-P-C4' energy: -3.951 flat angles P-C4'-P energy: -3.061 tors. eta vs tors. theta energy: -4.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 194 Temperature: 0.950000 Total energy: -30.401382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.401382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.401382 (E_RNA) where: Base-Base interactions energy: -7.881 where: short stacking energy: -7.881 Base-Backbone interact. energy: -0.093 local terms energy: -22.428087 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -4.550 flat angles C4'-P-C4' energy: -4.617 flat angles P-C4'-P energy: -4.493 tors. eta vs tors. theta energy: -3.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 194 Temperature: 1.000000 Total energy: -30.184877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.184877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.184877 (E_RNA) where: Base-Base interactions energy: -9.364 where: short stacking energy: -9.364 Base-Backbone interact. energy: 0.117 local terms energy: -20.937636 where: bonds (distance) C4'-P energy: -4.431 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -4.942 flat angles P-C4'-P energy: -4.042 tors. eta vs tors. theta energy: -1.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 194 Temperature: 1.050000 Total energy: -28.256387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.256387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.256387 (E_RNA) where: Base-Base interactions energy: -8.338 where: short stacking energy: -8.338 Base-Backbone interact. energy: -0.010 local terms energy: -19.908631 where: bonds (distance) C4'-P energy: -4.555 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -5.356 flat angles P-C4'-P energy: -2.756 tors. eta vs tors. theta energy: -1.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 194 Temperature: 1.100000 Total energy: -29.449236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.449236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.449236 (E_RNA) where: Base-Base interactions energy: -9.192 where: short stacking energy: -9.192 Base-Backbone interact. energy: -0.000 local terms energy: -20.257614 where: bonds (distance) C4'-P energy: -4.778 bonds (distance) P-C4' energy: -4.879 flat angles C4'-P-C4' energy: -3.764 flat angles P-C4'-P energy: -3.260 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: 6, replica: 8 ===================================== Write number: 194 Temperature: 1.150000 Total energy: -31.252954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.252954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.252954 (E_RNA) where: Base-Base interactions energy: -12.631 where: short stacking energy: -12.631 Base-Backbone interact. energy: -0.000 local terms energy: -18.621519 where: bonds (distance) C4'-P energy: -4.501 bonds (distance) P-C4' energy: -4.765 flat angles C4'-P-C4' energy: -3.219 flat angles P-C4'-P energy: -3.366 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: 7, replica: 9 ===================================== Write number: 194 Temperature: 1.200000 Total energy: -27.170354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.170354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.170354 (E_RNA) where: Base-Base interactions energy: -7.470 where: short stacking energy: -7.470 Base-Backbone interact. energy: -0.017 local terms energy: -19.684222 where: bonds (distance) C4'-P energy: -5.018 bonds (distance) P-C4' energy: -4.835 flat angles C4'-P-C4' energy: -5.221 flat angles P-C4'-P energy: -4.647 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: 8, replica: 5 ===================================== Write number: 194 Temperature: 1.250000 Total energy: -25.753424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.753424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.753424 (E_RNA) where: Base-Base interactions energy: -7.572 where: short stacking energy: -7.572 Base-Backbone interact. energy: -0.052 local terms energy: -18.129025 where: bonds (distance) C4'-P energy: -3.899 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -5.362 flat angles P-C4'-P energy: -2.533 tors. eta vs tors. theta energy: -0.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 194 Temperature: 1.300000 Total energy: -24.809830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.809830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.809830 (E_RNA) where: Base-Base interactions energy: -4.635 where: short stacking energy: -4.635 Base-Backbone interact. energy: -0.003 local terms energy: -20.171713 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -5.043 flat angles C4'-P-C4' energy: -5.115 flat angles P-C4'-P energy: -4.450 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: 10, replica: 2 ===================================== Write number: 194 Temperature: 1.350000 Total energy: -25.913455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.913455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.913455 (E_RNA) where: Base-Base interactions energy: -9.087 where: short stacking energy: -9.087 Base-Backbone interact. energy: -0.040 local terms energy: -16.786488 where: bonds (distance) C4'-P energy: -4.041 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -3.380 flat angles P-C4'-P energy: -0.553 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: 1, replica: 7 ===================================== Write number: 195 Temperature: 0.900000 Total energy: -35.723319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.723319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.723319 (E_RNA) where: Base-Base interactions energy: -13.376 where: short stacking energy: -13.260 Base-Backbone interact. energy: -0.001 local terms energy: -22.346417 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -3.635 flat angles C4'-P-C4' energy: -5.387 flat angles P-C4'-P energy: -4.498 tors. eta vs tors. theta energy: -3.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 195 Temperature: 0.950000 Total energy: -34.704636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.704636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.704636 (E_RNA) where: Base-Base interactions energy: -13.428 where: short stacking energy: -13.428 Base-Backbone interact. energy: -0.001 local terms energy: -21.276317 where: bonds (distance) C4'-P energy: -4.132 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -4.286 flat angles P-C4'-P energy: -2.993 tors. eta vs tors. theta energy: -4.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 195 Temperature: 1.000000 Total energy: -31.209176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.209176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.209176 (E_RNA) where: Base-Base interactions energy: -12.777 where: short stacking energy: -12.777 Base-Backbone interact. energy: -0.047 local terms energy: -18.384323 where: bonds (distance) C4'-P energy: -4.124 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -4.267 flat angles P-C4'-P energy: -2.940 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: 10 ===================================== Write number: 195 Temperature: 1.050000 Total energy: -31.388305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.388305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.388305 (E_RNA) where: Base-Base interactions energy: -13.821 where: short stacking energy: -13.821 Base-Backbone interact. energy: -0.004 local terms energy: -17.563155 where: bonds (distance) C4'-P energy: -3.834 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -1.925 flat angles P-C4'-P energy: -3.882 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: 5, replica: 1 ===================================== Write number: 195 Temperature: 1.100000 Total energy: -30.015087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.015087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.015087 (E_RNA) where: Base-Base interactions energy: -9.465 where: short stacking energy: -9.465 Base-Backbone interact. energy: -0.085 local terms energy: -20.465063 where: bonds (distance) C4'-P energy: -4.501 bonds (distance) P-C4' energy: -4.445 flat angles C4'-P-C4' energy: -5.132 flat angles P-C4'-P energy: -3.638 tors. eta vs tors. theta energy: -2.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 195 Temperature: 1.150000 Total energy: -31.115158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.115158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.115158 (E_RNA) where: Base-Base interactions energy: -11.745 where: short stacking energy: -11.745 Base-Backbone interact. energy: -0.000 local terms energy: -19.370031 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -3.712 flat angles P-C4'-P energy: -4.240 tors. eta vs tors. theta energy: -0.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 195 Temperature: 1.200000 Total energy: -32.939999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.939999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.939999 (E_RNA) where: Base-Base interactions energy: -12.109 where: short stacking energy: -12.109 Base-Backbone interact. energy: -0.003 local terms energy: -20.827622 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -3.224 flat angles P-C4'-P energy: -2.869 tors. eta vs tors. theta energy: -4.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 195 Temperature: 1.250000 Total energy: -26.204002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.204002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.204002 (E_RNA) where: Base-Base interactions energy: -6.266 where: short stacking energy: -6.266 Base-Backbone interact. energy: -0.002 local terms energy: -19.936603 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -5.498 flat angles C4'-P-C4' energy: -5.274 flat angles P-C4'-P energy: -1.511 tors. eta vs tors. theta energy: -2.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 195 Temperature: 1.300000 Total energy: -27.442453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.442453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.442453 (E_RNA) where: Base-Base interactions energy: -9.087 where: short stacking energy: -9.087 Base-Backbone interact. energy: 0.424 local terms energy: -18.779376 where: bonds (distance) C4'-P energy: -3.234 bonds (distance) P-C4' energy: -4.357 flat angles C4'-P-C4' energy: -4.574 flat angles P-C4'-P energy: -3.282 tors. eta vs tors. theta energy: -3.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 195 Temperature: 1.350000 Total energy: -28.911088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.911088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.911088 (E_RNA) where: Base-Base interactions energy: -9.454 where: short stacking energy: -9.454 Base-Backbone interact. energy: -0.000 local terms energy: -19.456842 where: bonds (distance) C4'-P energy: -3.723 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -4.408 flat angles P-C4'-P energy: -3.657 tors. eta vs tors. theta energy: -2.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 196 Temperature: 0.900000 Total energy: -30.164599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.164599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.164599 (E_RNA) where: Base-Base interactions energy: -12.197 where: short stacking energy: -12.197 Base-Backbone interact. energy: -0.000 local terms energy: -17.967737 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -3.659 flat angles P-C4'-P energy: -3.060 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: 2, replica: 3 ===================================== Write number: 196 Temperature: 0.950000 Total energy: -32.463854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.463854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.463854 (E_RNA) where: Base-Base interactions energy: -12.086 where: short stacking energy: -12.086 Base-Backbone interact. energy: -0.001 local terms energy: -20.377142 where: bonds (distance) C4'-P energy: -4.493 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -3.038 flat angles P-C4'-P energy: -4.372 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: 3, replica: 10 ===================================== Write number: 196 Temperature: 1.000000 Total energy: -31.015416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.015416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.015416 (E_RNA) where: Base-Base interactions energy: -11.769 where: short stacking energy: -11.769 Base-Backbone interact. energy: -0.012 local terms energy: -19.233573 where: bonds (distance) C4'-P energy: -4.132 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -4.534 flat angles P-C4'-P energy: -3.000 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: 4, replica: 4 ===================================== Write number: 196 Temperature: 1.050000 Total energy: -27.047015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.047015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.047015 (E_RNA) where: Base-Base interactions energy: -12.030 where: short stacking energy: -12.030 Base-Backbone interact. energy: -0.009 local terms energy: -15.007612 where: bonds (distance) C4'-P energy: -4.637 bonds (distance) P-C4' energy: -5.540 flat angles C4'-P-C4' energy: -0.782 flat angles P-C4'-P energy: -3.534 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: 5, replica: 9 ===================================== Write number: 196 Temperature: 1.100000 Total energy: -36.731512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.731512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.731512 (E_RNA) where: Base-Base interactions energy: -15.101 where: short stacking energy: -15.101 Base-Backbone interact. energy: -0.000 local terms energy: -21.630166 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -5.236 flat angles P-C4'-P energy: -2.568 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: 6, replica: 1 ===================================== Write number: 196 Temperature: 1.150000 Total energy: -28.628865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.628865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.628865 (E_RNA) where: Base-Base interactions energy: -5.185 where: short stacking energy: -5.185 Base-Backbone interact. energy: -0.018 local terms energy: -23.425983 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -5.759 flat angles C4'-P-C4' energy: -5.093 flat angles P-C4'-P energy: -4.349 tors. eta vs tors. theta energy: -3.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 196 Temperature: 1.200000 Total energy: -31.860582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.860582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.860582 (E_RNA) where: Base-Base interactions energy: -11.771 where: short stacking energy: -11.771 Base-Backbone interact. energy: -0.010 local terms energy: -20.079483 where: bonds (distance) C4'-P energy: -3.420 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -5.119 flat angles P-C4'-P energy: -1.236 tors. eta vs tors. theta energy: -4.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 196 Temperature: 1.250000 Total energy: -28.870194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.870194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.870194 (E_RNA) where: Base-Base interactions energy: -11.715 where: short stacking energy: -11.715 Base-Backbone interact. energy: -0.000 local terms energy: -17.155547 where: bonds (distance) C4'-P energy: -1.333 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -4.496 flat angles P-C4'-P energy: -3.608 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: 9, replica: 2 ===================================== Write number: 196 Temperature: 1.300000 Total energy: -28.119016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.119016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.119016 (E_RNA) where: Base-Base interactions energy: -10.447 where: short stacking energy: -10.447 Base-Backbone interact. energy: -0.000 local terms energy: -17.672373 where: bonds (distance) C4'-P energy: -2.201 bonds (distance) P-C4' energy: -5.333 flat angles C4'-P-C4' energy: -4.662 flat angles P-C4'-P energy: -2.854 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: 10, replica: 5 ===================================== Write number: 196 Temperature: 1.350000 Total energy: -24.176657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.176657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.176657 (E_RNA) where: Base-Base interactions energy: -7.041 where: short stacking energy: -7.041 Base-Backbone interact. energy: -0.000 local terms energy: -17.135430 where: bonds (distance) C4'-P energy: -3.714 bonds (distance) P-C4' energy: -4.473 flat angles C4'-P-C4' energy: -2.859 flat angles P-C4'-P energy: -2.778 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: 1, replica: 7 ===================================== Write number: 197 Temperature: 0.900000 Total energy: -36.328233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.328233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.328233 (E_RNA) where: Base-Base interactions energy: -15.245 where: short stacking energy: -15.245 Base-Backbone interact. energy: -0.000 local terms energy: -21.082617 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.202 flat angles C4'-P-C4' energy: -4.325 flat angles P-C4'-P energy: -2.776 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: 2, replica: 3 ===================================== Write number: 197 Temperature: 0.950000 Total energy: -37.608221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.608221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.608221 (E_RNA) where: Base-Base interactions energy: -15.870 where: short stacking energy: -15.870 Base-Backbone interact. energy: -0.000 local terms energy: -21.738214 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -4.675 flat angles C4'-P-C4' energy: -5.293 flat angles P-C4'-P energy: -3.877 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: 3, replica: 10 ===================================== Write number: 197 Temperature: 1.000000 Total energy: -30.265797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.265797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.265797 (E_RNA) where: Base-Base interactions energy: -8.279 where: short stacking energy: -8.279 Base-Backbone interact. energy: -0.014 local terms energy: -21.972613 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -5.663 flat angles P-C4'-P energy: -3.869 tors. eta vs tors. theta energy: -1.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 197 Temperature: 1.050000 Total energy: -33.062765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.062765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.062765 (E_RNA) where: Base-Base interactions energy: -11.195 where: short stacking energy: -11.195 Base-Backbone interact. energy: -0.000 local terms energy: -21.867650 where: bonds (distance) C4'-P energy: -4.628 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -3.554 flat angles P-C4'-P energy: -3.085 tors. eta vs tors. theta energy: -4.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 197 Temperature: 1.100000 Total energy: -27.210887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.210887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.210887 (E_RNA) where: Base-Base interactions energy: -7.651 where: short stacking energy: -7.651 Base-Backbone interact. energy: -0.005 local terms energy: -19.555221 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -3.564 flat angles P-C4'-P energy: -3.528 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: 6, replica: 6 ===================================== Write number: 197 Temperature: 1.150000 Total energy: -32.124997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.124997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.124997 (E_RNA) where: Base-Base interactions energy: -12.158 where: short stacking energy: -12.158 Base-Backbone interact. energy: -0.031 local terms energy: -19.936281 where: bonds (distance) C4'-P energy: -2.414 bonds (distance) P-C4' energy: -5.730 flat angles C4'-P-C4' energy: -4.584 flat angles P-C4'-P energy: -3.908 tors. eta vs tors. theta energy: -3.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 197 Temperature: 1.200000 Total energy: -29.023063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.023063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.023063 (E_RNA) where: Base-Base interactions energy: -9.784 where: short stacking energy: -9.784 Base-Backbone interact. energy: -0.001 local terms energy: -19.238151 where: bonds (distance) C4'-P energy: -5.159 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -2.481 flat angles P-C4'-P energy: -3.274 tors. eta vs tors. theta energy: -2.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 197 Temperature: 1.250000 Total energy: -27.361173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.361173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.361173 (E_RNA) where: Base-Base interactions energy: -7.552 where: short stacking energy: -7.552 Base-Backbone interact. energy: -0.000 local terms energy: -19.809025 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.168 flat angles P-C4'-P energy: -0.047 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: 9, replica: 8 ===================================== Write number: 197 Temperature: 1.300000 Total energy: -25.115406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.115406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.115406 (E_RNA) where: Base-Base interactions energy: -6.865 where: short stacking energy: -6.878 Base-Backbone interact. energy: -0.010 local terms energy: -18.240105 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -4.969 flat angles C4'-P-C4' energy: -4.233 flat angles P-C4'-P energy: -4.006 tors. eta vs tors. theta energy: 0.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 197 Temperature: 1.350000 Total energy: -23.024746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.024746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.024746 (E_RNA) where: Base-Base interactions energy: -8.591 where: short stacking energy: -8.591 Base-Backbone interact. energy: -0.013 local terms energy: -14.420166 where: bonds (distance) C4'-P energy: -1.735 bonds (distance) P-C4' energy: -5.547 flat angles C4'-P-C4' energy: -4.835 flat angles P-C4'-P energy: -3.078 tors. eta vs tors. theta energy: 0.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 198 Temperature: 0.900000 Total energy: -34.238587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.238587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.238587 (E_RNA) where: Base-Base interactions energy: -14.011 where: short stacking energy: -14.011 Base-Backbone interact. energy: -0.000 local terms energy: -20.227264 where: bonds (distance) C4'-P energy: -4.786 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -5.382 flat angles P-C4'-P energy: -2.292 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: 3 ===================================== Write number: 198 Temperature: 0.950000 Total energy: -32.590624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.590624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.590624 (E_RNA) where: Base-Base interactions energy: -11.257 where: short stacking energy: -11.257 Base-Backbone interact. energy: -0.005 local terms energy: -21.327926 where: bonds (distance) C4'-P energy: -4.219 bonds (distance) P-C4' energy: -5.227 flat angles C4'-P-C4' energy: -5.109 flat angles P-C4'-P energy: -3.451 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: 3, replica: 9 ===================================== Write number: 198 Temperature: 1.000000 Total energy: -30.635957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.635957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.635957 (E_RNA) where: Base-Base interactions energy: -12.393 where: short stacking energy: -12.393 Base-Backbone interact. energy: -0.000 local terms energy: -18.242848 where: bonds (distance) C4'-P energy: -4.948 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -4.136 flat angles P-C4'-P energy: -3.666 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: 4, replica: 10 ===================================== Write number: 198 Temperature: 1.050000 Total energy: -34.963643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.963643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.963643 (E_RNA) where: Base-Base interactions energy: -12.828 where: short stacking energy: -12.828 Base-Backbone interact. energy: -0.000 local terms energy: -22.135666 where: bonds (distance) C4'-P energy: -4.235 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.287 flat angles P-C4'-P energy: -3.059 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: 5, replica: 6 ===================================== Write number: 198 Temperature: 1.100000 Total energy: -29.840456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.840456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.840456 (E_RNA) where: Base-Base interactions energy: -10.216 where: short stacking energy: -10.216 Base-Backbone interact. energy: -0.000 local terms energy: -19.624505 where: bonds (distance) C4'-P energy: -4.245 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.324 flat angles P-C4'-P energy: -4.124 tors. eta vs tors. theta energy: -0.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 198 Temperature: 1.150000 Total energy: -27.503086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.503086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.503086 (E_RNA) where: Base-Base interactions energy: -7.644 where: short stacking energy: -7.644 Base-Backbone interact. energy: -0.004 local terms energy: -19.855005 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.339 flat angles P-C4'-P energy: -2.430 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: 2 ===================================== Write number: 198 Temperature: 1.200000 Total energy: -30.705321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.705321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.705321 (E_RNA) where: Base-Base interactions energy: -12.561 where: short stacking energy: -12.561 Base-Backbone interact. energy: -0.000 local terms energy: -18.144207 where: bonds (distance) C4'-P energy: -4.137 bonds (distance) P-C4' energy: -4.004 flat angles C4'-P-C4' energy: -4.111 flat angles P-C4'-P energy: -3.203 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: 1 ===================================== Write number: 198 Temperature: 1.250000 Total energy: -26.820263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.820263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.820263 (E_RNA) where: Base-Base interactions energy: -7.706 where: short stacking energy: -7.706 Base-Backbone interact. energy: -0.100 local terms energy: -19.014354 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.283 flat angles C4'-P-C4' energy: -4.734 flat angles P-C4'-P energy: -4.051 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: 9, replica: 5 ===================================== Write number: 198 Temperature: 1.300000 Total energy: -25.479915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.479915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.479915 (E_RNA) where: Base-Base interactions energy: -8.921 where: short stacking energy: -8.921 Base-Backbone interact. energy: -0.087 local terms energy: -16.472452 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -0.915 flat angles C4'-P-C4' energy: -4.996 flat angles P-C4'-P energy: -3.877 tors. eta vs tors. theta energy: -1.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 198 Temperature: 1.350000 Total energy: -22.271437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.271437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.271437 (E_RNA) where: Base-Base interactions energy: -8.084 where: short stacking energy: -8.084 Base-Backbone interact. energy: -0.052 local terms energy: -14.135435 where: bonds (distance) C4'-P energy: -1.615 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -4.393 flat angles P-C4'-P energy: -3.257 tors. eta vs tors. theta energy: 1.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 199 Temperature: 0.900000 Total energy: -35.113806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.113806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.113806 (E_RNA) where: Base-Base interactions energy: -13.198 where: short stacking energy: -13.198 Base-Backbone interact. energy: -0.098 local terms energy: -21.817786 where: bonds (distance) C4'-P energy: -5.159 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -4.210 flat angles P-C4'-P energy: -4.162 tors. eta vs tors. theta energy: -2.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 199 Temperature: 0.950000 Total energy: -31.168802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.168802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.168802 (E_RNA) where: Base-Base interactions energy: -9.739 where: short stacking energy: -9.739 Base-Backbone interact. energy: -0.095 local terms energy: -21.335054 where: bonds (distance) C4'-P energy: -4.600 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.111 flat angles P-C4'-P energy: -3.310 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: 3, replica: 9 ===================================== Write number: 199 Temperature: 1.000000 Total energy: -28.663476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.663476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.663476 (E_RNA) where: Base-Base interactions energy: -8.918 where: short stacking energy: -8.918 Base-Backbone interact. energy: -0.006 local terms energy: -19.739471 where: bonds (distance) C4'-P energy: -4.609 bonds (distance) P-C4' energy: -4.473 flat angles C4'-P-C4' energy: -5.420 flat angles P-C4'-P energy: -4.157 tors. eta vs tors. theta energy: -1.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 199 Temperature: 1.050000 Total energy: -28.141411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.141411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.141411 (E_RNA) where: Base-Base interactions energy: -8.800 where: short stacking energy: -8.800 Base-Backbone interact. energy: -0.022 local terms energy: -19.319323 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.205 flat angles P-C4'-P energy: -2.135 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: 5, replica: 10 ===================================== Write number: 199 Temperature: 1.100000 Total energy: -29.302966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.302966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.302966 (E_RNA) where: Base-Base interactions energy: -12.156 where: short stacking energy: -12.156 Base-Backbone interact. energy: 0.520 local terms energy: -17.666490 where: bonds (distance) C4'-P energy: -4.041 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -3.417 flat angles P-C4'-P energy: -3.636 tors. eta vs tors. theta energy: -0.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 199 Temperature: 1.150000 Total energy: -28.637885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.637885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.637885 (E_RNA) where: Base-Base interactions energy: -7.664 where: short stacking energy: -7.664 Base-Backbone interact. energy: -0.000 local terms energy: -20.973701 where: bonds (distance) C4'-P energy: -4.281 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.270 flat angles P-C4'-P energy: -4.350 tors. eta vs tors. theta energy: -2.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 199 Temperature: 1.200000 Total energy: -30.073478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.073478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.073478 (E_RNA) where: Base-Base interactions energy: -11.476 where: short stacking energy: -11.476 Base-Backbone interact. energy: -0.000 local terms energy: -18.597758 where: bonds (distance) C4'-P energy: -4.219 bonds (distance) P-C4' energy: -5.290 flat angles C4'-P-C4' energy: -4.081 flat angles P-C4'-P energy: -1.954 tors. eta vs tors. theta energy: -3.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 199 Temperature: 1.250000 Total energy: -30.125578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.125578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.125578 (E_RNA) where: Base-Base interactions energy: -11.378 where: short stacking energy: -11.378 Base-Backbone interact. energy: -0.004 local terms energy: -18.743265 where: bonds (distance) C4'-P energy: -3.466 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.789 flat angles P-C4'-P energy: -2.303 tors. eta vs tors. theta energy: -3.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 199 Temperature: 1.300000 Total energy: -25.472850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.472850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.472850 (E_RNA) where: Base-Base interactions energy: -3.959 where: short stacking energy: -3.959 Base-Backbone interact. energy: -0.000 local terms energy: -21.513960 where: bonds (distance) C4'-P energy: -4.103 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -4.467 flat angles P-C4'-P energy: -3.811 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: 10, replica: 8 ===================================== Write number: 199 Temperature: 1.350000 Total energy: -22.526185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.526185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.526185 (E_RNA) where: Base-Base interactions energy: -4.819 where: short stacking energy: -4.819 Base-Backbone interact. energy: -0.030 local terms energy: -17.677207 where: bonds (distance) C4'-P energy: -4.547 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -2.426 flat angles P-C4'-P energy: -3.251 tors. eta vs tors. theta energy: -2.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 200 Temperature: 0.900000 Total energy: -37.577735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.577735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.577735 (E_RNA) where: Base-Base interactions energy: -14.963 where: short stacking energy: -14.963 Base-Backbone interact. energy: -0.000 local terms energy: -22.614338 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.759 flat angles C4'-P-C4' energy: -4.052 flat angles P-C4'-P energy: -2.953 tors. eta vs tors. theta energy: -4.770 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: 7 ===================================== Write number: 200 Temperature: 0.950000 Total energy: -31.974488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.974488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.974488 (E_RNA) where: Base-Base interactions energy: -12.528 where: short stacking energy: -12.528 Base-Backbone interact. energy: -0.000 local terms energy: -19.446137 where: bonds (distance) C4'-P energy: -3.891 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -4.237 flat angles P-C4'-P energy: -3.648 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: 3, replica: 6 ===================================== Write number: 200 Temperature: 1.000000 Total energy: -30.629586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.629586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.629586 (E_RNA) where: Base-Base interactions energy: -10.642 where: short stacking energy: -10.642 Base-Backbone interact. energy: -0.097 local terms energy: -19.890798 where: bonds (distance) C4'-P energy: -4.609 bonds (distance) P-C4' energy: -6.020 flat angles C4'-P-C4' energy: -5.069 flat angles P-C4'-P energy: -2.479 tors. eta vs tors. theta energy: -1.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 200 Temperature: 1.050000 Total energy: -33.452087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.452087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.452087 (E_RNA) where: Base-Base interactions energy: -11.457 where: short stacking energy: -11.457 Base-Backbone interact. energy: -0.000 local terms energy: -21.995321 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.814 flat angles P-C4'-P energy: -2.634 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: 5, replica: 4 ===================================== Write number: 200 Temperature: 1.100000 Total energy: -27.786900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.786900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.786900 (E_RNA) where: Base-Base interactions energy: -7.910 where: short stacking energy: -7.910 Base-Backbone interact. energy: -0.036 local terms energy: -19.840867 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.494 flat angles C4'-P-C4' energy: -2.975 flat angles P-C4'-P energy: -3.817 tors. eta vs tors. theta energy: -2.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 200 Temperature: 1.150000 Total energy: -31.621101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.621101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.621101 (E_RNA) where: Base-Base interactions energy: -12.426 where: short stacking energy: -12.426 Base-Backbone interact. energy: -0.000 local terms energy: -19.194845 where: bonds (distance) C4'-P energy: -3.064 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -3.572 flat angles P-C4'-P energy: -2.979 tors. eta vs tors. theta energy: -4.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 200 Temperature: 1.200000 Total energy: -29.078236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.078236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.078236 (E_RNA) where: Base-Base interactions energy: -8.139 where: short stacking energy: -8.139 Base-Backbone interact. energy: -0.000 local terms energy: -20.939010 where: bonds (distance) C4'-P energy: -4.529 bonds (distance) P-C4' energy: -5.730 flat angles C4'-P-C4' energy: -3.576 flat angles P-C4'-P energy: -4.214 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: 8, replica: 2 ===================================== Write number: 200 Temperature: 1.250000 Total energy: -32.106709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.106709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.106709 (E_RNA) where: Base-Base interactions energy: -11.328 where: short stacking energy: -11.328 Base-Backbone interact. energy: -0.009 local terms energy: -20.770387 where: bonds (distance) C4'-P energy: -3.764 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -5.256 flat angles P-C4'-P energy: -3.490 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: 8 ===================================== Write number: 200 Temperature: 1.300000 Total energy: -27.535970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.535970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.535970 (E_RNA) where: Base-Base interactions energy: -9.434 where: short stacking energy: -9.434 Base-Backbone interact. energy: -0.000 local terms energy: -18.102042 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.759 flat angles C4'-P-C4' energy: -3.914 flat angles P-C4'-P energy: -1.004 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: 10, replica: 5 ===================================== Write number: 200 Temperature: 1.350000 Total energy: -27.404325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.404325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.404325 (E_RNA) where: Base-Base interactions energy: -11.810 where: short stacking energy: -11.810 Base-Backbone interact. energy: -0.000 local terms energy: -15.593935 where: bonds (distance) C4'-P energy: -2.443 bonds (distance) P-C4' energy: -5.040 flat angles C4'-P-C4' energy: -5.095 flat angles P-C4'-P energy: -2.598 tors. eta vs tors. theta energy: -0.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 201 Temperature: 0.900000 Total energy: -38.903103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.903103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.903103 (E_RNA) where: Base-Base interactions energy: -16.207 where: short stacking energy: -16.207 Base-Backbone interact. energy: -0.021 local terms energy: -22.675310 where: bonds (distance) C4'-P energy: -3.775 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.077 flat angles P-C4'-P energy: -4.901 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: 2, replica: 6 ===================================== Write number: 201 Temperature: 0.950000 Total energy: -33.763475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.763475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.763475 (E_RNA) where: Base-Base interactions energy: -12.954 where: short stacking energy: -12.954 Base-Backbone interact. energy: -0.000 local terms energy: -20.809847 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -5.202 flat angles C4'-P-C4' energy: -4.412 flat angles P-C4'-P energy: -3.295 tors. eta vs tors. theta energy: -2.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 201 Temperature: 1.000000 Total energy: -30.902596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.902596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.902596 (E_RNA) where: Base-Base interactions energy: -7.668 where: short stacking energy: -7.668 Base-Backbone interact. energy: -0.109 local terms energy: -23.125735 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -5.566 flat angles C4'-P-C4' energy: -4.740 flat angles P-C4'-P energy: -3.998 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: 4, replica: 4 ===================================== Write number: 201 Temperature: 1.050000 Total energy: -30.726698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.726698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.726698 (E_RNA) where: Base-Base interactions energy: -11.912 where: short stacking energy: -11.912 Base-Backbone interact. energy: -0.002 local terms energy: -18.813236 where: bonds (distance) C4'-P energy: -4.637 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.213 flat angles P-C4'-P energy: -3.136 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: 5, replica: 9 ===================================== Write number: 201 Temperature: 1.100000 Total energy: -31.624674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.624674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.624674 (E_RNA) where: Base-Base interactions energy: -11.938 where: short stacking energy: -12.038 Base-Backbone interact. energy: -0.013 local terms energy: -19.673107 where: bonds (distance) C4'-P energy: -4.161 bonds (distance) P-C4' energy: -4.642 flat angles C4'-P-C4' energy: -5.697 flat angles P-C4'-P energy: -3.726 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: 6, replica: 10 ===================================== Write number: 201 Temperature: 1.150000 Total energy: -27.763583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.763583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.763583 (E_RNA) where: Base-Base interactions energy: -8.524 where: short stacking energy: -8.524 Base-Backbone interact. energy: -0.092 local terms energy: -19.147459 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.831 flat angles P-C4'-P energy: -3.564 tors. eta vs tors. theta energy: 0.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 201 Temperature: 1.200000 Total energy: -25.826805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.826805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.826805 (E_RNA) where: Base-Base interactions energy: -6.575 where: short stacking energy: -5.089 Base-Backbone interact. energy: -0.217 local terms energy: -19.035468 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -4.341 flat angles P-C4'-P energy: -3.640 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: 8 ===================================== Write number: 201 Temperature: 1.250000 Total energy: -30.961686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.961686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.961686 (E_RNA) where: Base-Base interactions energy: -10.688 where: short stacking energy: -10.688 Base-Backbone interact. energy: -0.049 local terms energy: -20.224920 where: bonds (distance) C4'-P energy: -4.405 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -4.176 flat angles P-C4'-P energy: -2.955 tors. eta vs tors. theta energy: -2.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 201 Temperature: 1.300000 Total energy: -27.713825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.713825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.713825 (E_RNA) where: Base-Base interactions energy: -8.331 where: short stacking energy: -8.331 Base-Backbone interact. energy: -0.000 local terms energy: -19.382899 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -2.512 flat angles P-C4'-P energy: -2.104 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: 10, replica: 5 ===================================== Write number: 201 Temperature: 1.350000 Total energy: -27.123442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.123442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.123442 (E_RNA) where: Base-Base interactions energy: -12.351 where: short stacking energy: -12.351 Base-Backbone interact. energy: -0.000 local terms energy: -14.772002 where: bonds (distance) C4'-P energy: -5.010 bonds (distance) P-C4' energy: -3.243 flat angles C4'-P-C4' energy: -2.561 flat angles P-C4'-P energy: 0.117 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: 202 Temperature: 0.900000 Total energy: -38.290908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.290908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.290908 (E_RNA) where: Base-Base interactions energy: -15.307 where: short stacking energy: -15.307 Base-Backbone interact. energy: -0.083 local terms energy: -22.901024 where: bonds (distance) C4'-P energy: -5.188 bonds (distance) P-C4' energy: -5.075 flat angles C4'-P-C4' energy: -4.567 flat angles P-C4'-P energy: -4.192 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: 3 ===================================== Write number: 202 Temperature: 0.950000 Total energy: -40.239718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.239718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.239718 (E_RNA) where: Base-Base interactions energy: -15.207 where: short stacking energy: -15.207 Base-Backbone interact. energy: -0.000 local terms energy: -25.032417 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.202 flat angles C4'-P-C4' energy: -5.351 flat angles P-C4'-P energy: -2.964 tors. eta vs tors. theta energy: -6.133 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: 7 ===================================== Write number: 202 Temperature: 1.000000 Total energy: -35.463643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.463643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.463643 (E_RNA) where: Base-Base interactions energy: -14.157 where: short stacking energy: -14.157 Base-Backbone interact. energy: -0.000 local terms energy: -21.306623 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.305 flat angles C4'-P-C4' energy: -4.359 flat angles P-C4'-P energy: -4.161 tors. eta vs tors. theta energy: -2.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 202 Temperature: 1.050000 Total energy: -29.465702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.465702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.465702 (E_RNA) where: Base-Base interactions energy: -10.215 where: short stacking energy: -10.215 Base-Backbone interact. energy: -0.047 local terms energy: -19.204082 where: bonds (distance) C4'-P energy: -4.563 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -3.555 flat angles P-C4'-P energy: -3.560 tors. eta vs tors. theta energy: -2.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 202 Temperature: 1.100000 Total energy: -31.967488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.967488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.967488 (E_RNA) where: Base-Base interactions energy: -12.408 where: short stacking energy: -12.408 Base-Backbone interact. energy: -0.000 local terms energy: -19.558750 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -4.550 flat angles C4'-P-C4' energy: -3.466 flat angles P-C4'-P energy: -3.923 tors. eta vs tors. theta energy: -2.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 202 Temperature: 1.150000 Total energy: -27.911837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.911837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.911837 (E_RNA) where: Base-Base interactions energy: -7.883 where: short stacking energy: -7.883 Base-Backbone interact. energy: -0.077 local terms energy: -19.951973 where: bonds (distance) C4'-P energy: -5.188 bonds (distance) P-C4' energy: -5.305 flat angles C4'-P-C4' energy: -4.748 flat angles P-C4'-P energy: -2.820 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: 7, replica: 8 ===================================== Write number: 202 Temperature: 1.200000 Total energy: -25.818660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.818660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.818660 (E_RNA) where: Base-Base interactions energy: -7.806 where: short stacking energy: -7.806 Base-Backbone interact. energy: -0.000 local terms energy: -18.011876 where: bonds (distance) C4'-P energy: -1.984 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -4.988 flat angles P-C4'-P energy: -4.255 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: 1 ===================================== Write number: 202 Temperature: 1.250000 Total energy: -30.216735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.216735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.216735 (E_RNA) where: Base-Base interactions energy: -9.729 where: short stacking energy: -9.729 Base-Backbone interact. energy: -0.034 local terms energy: -20.453944 where: bonds (distance) C4'-P energy: -5.089 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.375 flat angles P-C4'-P energy: -3.939 tors. eta vs tors. theta energy: -1.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 202 Temperature: 1.300000 Total energy: -26.405261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.405261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.405261 (E_RNA) where: Base-Base interactions energy: -8.054 where: short stacking energy: -8.054 Base-Backbone interact. energy: -0.001 local terms energy: -18.350719 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -4.473 flat angles C4'-P-C4' energy: -5.276 flat angles P-C4'-P energy: -3.698 tors. eta vs tors. theta energy: 0.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 202 Temperature: 1.350000 Total energy: -24.456863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.456863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.456863 (E_RNA) where: Base-Base interactions energy: -8.190 where: short stacking energy: -8.190 Base-Backbone interact. energy: -0.011 local terms energy: -16.255969 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -3.304 flat angles C4'-P-C4' energy: -4.033 flat angles P-C4'-P energy: -3.896 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: 1, replica: 6 ===================================== Write number: 203 Temperature: 0.900000 Total energy: -36.126623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.126623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.126623 (E_RNA) where: Base-Base interactions energy: -14.123 where: short stacking energy: -14.123 Base-Backbone interact. energy: -0.002 local terms energy: -22.001812 where: bonds (distance) C4'-P energy: -4.637 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -4.037 flat angles P-C4'-P energy: -3.293 tors. eta vs tors. theta energy: -4.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 203 Temperature: 0.950000 Total energy: -29.669314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.669314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.669314 (E_RNA) where: Base-Base interactions energy: -9.415 where: short stacking energy: -9.415 Base-Backbone interact. energy: -0.000 local terms energy: -20.253890 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -4.624 flat angles C4'-P-C4' energy: -4.236 flat angles P-C4'-P energy: -4.156 tors. eta vs tors. theta energy: -1.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 203 Temperature: 1.000000 Total energy: -37.388686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.388686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.388686 (E_RNA) where: Base-Base interactions energy: -15.015 where: short stacking energy: -15.015 Base-Backbone interact. energy: -0.000 local terms energy: -22.373415 where: bonds (distance) C4'-P energy: -3.768 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -4.544 flat angles P-C4'-P energy: -4.044 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: 4, replica: 10 ===================================== Write number: 203 Temperature: 1.050000 Total energy: -30.787355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.787355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.787355 (E_RNA) where: Base-Base interactions energy: -7.288 where: short stacking energy: -7.288 Base-Backbone interact. energy: -0.000 local terms energy: -23.499016 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -5.566 flat angles C4'-P-C4' energy: -4.970 flat angles P-C4'-P energy: -3.804 tors. eta vs tors. theta energy: -4.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 203 Temperature: 1.100000 Total energy: -30.260989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.260989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.260989 (E_RNA) where: Base-Base interactions energy: -11.352 where: short stacking energy: -11.352 Base-Backbone interact. energy: 0.610 local terms energy: -19.519798 where: bonds (distance) C4'-P energy: -3.607 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.329 flat angles P-C4'-P energy: -1.537 tors. eta vs tors. theta energy: -3.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 203 Temperature: 1.150000 Total energy: -26.812611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.812611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.812611 (E_RNA) where: Base-Base interactions energy: -7.035 where: short stacking energy: -7.035 Base-Backbone interact. energy: -0.000 local terms energy: -19.777843 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -5.043 flat angles C4'-P-C4' energy: -3.574 flat angles P-C4'-P energy: -3.022 tors. eta vs tors. theta energy: -2.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 203 Temperature: 1.200000 Total energy: -36.437118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.437118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.437118 (E_RNA) where: Base-Base interactions energy: -13.920 where: short stacking energy: -13.920 Base-Backbone interact. energy: -0.000 local terms energy: -22.517587 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -4.998 flat angles C4'-P-C4' energy: -5.288 flat angles P-C4'-P energy: -3.131 tors. eta vs tors. theta energy: -4.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 203 Temperature: 1.250000 Total energy: -30.024420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.024420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.024420 (E_RNA) where: Base-Base interactions energy: -10.894 where: short stacking energy: -10.894 Base-Backbone interact. energy: -0.003 local terms energy: -19.127311 where: bonds (distance) C4'-P energy: -4.609 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -3.344 flat angles P-C4'-P energy: -3.257 tors. eta vs tors. theta energy: -2.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 203 Temperature: 1.300000 Total energy: -27.331230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.331230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.331230 (E_RNA) where: Base-Base interactions energy: -6.226 where: short stacking energy: -6.226 Base-Backbone interact. energy: -0.018 local terms energy: -21.086750 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -4.945 flat angles C4'-P-C4' energy: -3.795 flat angles P-C4'-P energy: -4.458 tors. eta vs tors. theta energy: -2.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 203 Temperature: 1.350000 Total energy: -24.190595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.190595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.190595 (E_RNA) where: Base-Base interactions energy: -7.252 where: short stacking energy: -7.252 Base-Backbone interact. energy: 0.073 local terms energy: -17.011964 where: bonds (distance) C4'-P energy: -2.791 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -3.897 flat angles P-C4'-P energy: -3.293 tors. eta vs tors. theta energy: -1.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 204 Temperature: 0.900000 Total energy: -31.949638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.949638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.949638 (E_RNA) where: Base-Base interactions energy: -13.256 where: short stacking energy: -13.256 Base-Backbone interact. energy: -0.153 local terms energy: -18.540851 where: bonds (distance) C4'-P energy: -3.723 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.761 flat angles P-C4'-P energy: -3.363 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: 2, replica: 6 ===================================== Write number: 204 Temperature: 0.950000 Total energy: -34.287918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.287918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.287918 (E_RNA) where: Base-Base interactions energy: -13.858 where: short stacking energy: -13.858 Base-Backbone interact. energy: -0.000 local terms energy: -20.430290 where: bonds (distance) C4'-P energy: -3.983 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -3.089 flat angles P-C4'-P energy: -4.479 tors. eta vs tors. theta energy: -3.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 204 Temperature: 1.000000 Total energy: -33.931752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.931752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.931752 (E_RNA) where: Base-Base interactions energy: -10.402 where: short stacking energy: -10.402 Base-Backbone interact. energy: -0.000 local terms energy: -23.529510 where: bonds (distance) C4'-P energy: -4.423 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -5.590 flat angles P-C4'-P energy: -3.996 tors. eta vs tors. theta energy: -3.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 204 Temperature: 1.050000 Total energy: -27.490479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.490479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.490479 (E_RNA) where: Base-Base interactions energy: -7.005 where: short stacking energy: -7.005 Base-Backbone interact. energy: -0.077 local terms energy: -20.408426 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -5.516 flat angles C4'-P-C4' energy: -5.501 flat angles P-C4'-P energy: -2.857 tors. eta vs tors. theta energy: -1.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 204 Temperature: 1.100000 Total energy: -26.286165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.286165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.286165 (E_RNA) where: Base-Base interactions energy: -7.072 where: short stacking energy: -7.072 Base-Backbone interact. energy: -0.000 local terms energy: -19.214020 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -3.576 flat angles P-C4'-P energy: -3.826 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: 6, replica: 4 ===================================== Write number: 204 Temperature: 1.150000 Total energy: -29.147108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.147108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.147108 (E_RNA) where: Base-Base interactions energy: -10.558 where: short stacking energy: -10.558 Base-Backbone interact. energy: -0.012 local terms energy: -18.576326 where: bonds (distance) C4'-P energy: -5.304 bonds (distance) P-C4' energy: -5.047 flat angles C4'-P-C4' energy: -3.536 flat angles P-C4'-P energy: -3.451 tors. eta vs tors. theta energy: -1.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 204 Temperature: 1.200000 Total energy: -28.254246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.254246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.254246 (E_RNA) where: Base-Base interactions energy: -8.567 where: short stacking energy: -8.567 Base-Backbone interact. energy: -0.000 local terms energy: -19.686862 where: bonds (distance) C4'-P energy: -4.981 bonds (distance) P-C4' energy: -4.388 flat angles C4'-P-C4' energy: -3.821 flat angles P-C4'-P energy: -2.222 tors. eta vs tors. theta energy: -4.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 204 Temperature: 1.250000 Total energy: -27.596522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.596522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.596522 (E_RNA) where: Base-Base interactions energy: -11.804 where: short stacking energy: -11.804 Base-Backbone interact. energy: -0.000 local terms energy: -15.792421 where: bonds (distance) C4'-P energy: -4.389 bonds (distance) P-C4' energy: -4.860 flat angles C4'-P-C4' energy: -2.654 flat angles P-C4'-P energy: -2.933 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: 2 ===================================== Write number: 204 Temperature: 1.300000 Total energy: -30.417673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.417673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.417673 (E_RNA) where: Base-Base interactions energy: -12.205 where: short stacking energy: -12.205 Base-Backbone interact. energy: -0.111 local terms energy: -18.101838 where: bonds (distance) C4'-P energy: -4.501 bonds (distance) P-C4' energy: -5.286 flat angles C4'-P-C4' energy: -3.638 flat angles P-C4'-P energy: -2.292 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: 10, replica: 1 ===================================== Write number: 204 Temperature: 1.350000 Total energy: -30.920554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.920554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.920554 (E_RNA) where: Base-Base interactions energy: -12.114 where: short stacking energy: -12.114 Base-Backbone interact. energy: -0.000 local terms energy: -18.806461 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -4.998 flat angles C4'-P-C4' energy: -2.899 flat angles P-C4'-P energy: -3.529 tors. eta vs tors. theta energy: -2.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 205 Temperature: 0.900000 Total energy: -36.479077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.479077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.479077 (E_RNA) where: Base-Base interactions energy: -15.867 where: short stacking energy: -15.867 Base-Backbone interact. energy: -0.012 local terms energy: -20.599981 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -2.828 flat angles P-C4'-P energy: -3.044 tors. eta vs tors. theta energy: -4.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 205 Temperature: 0.950000 Total energy: -36.730545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.730545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.730545 (E_RNA) where: Base-Base interactions energy: -10.742 where: short stacking energy: -10.742 Base-Backbone interact. energy: -0.000 local terms energy: -25.988488 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -5.766 flat angles P-C4'-P energy: -4.372 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: 3, replica: 6 ===================================== Write number: 205 Temperature: 1.000000 Total energy: -34.567480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.567480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.567480 (E_RNA) where: Base-Base interactions energy: -11.651 where: short stacking energy: -12.311 Base-Backbone interact. energy: -0.000 local terms energy: -22.915948 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.027 flat angles P-C4'-P energy: -3.830 tors. eta vs tors. theta energy: -3.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 205 Temperature: 1.050000 Total energy: -38.008538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.008538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.008538 (E_RNA) where: Base-Base interactions energy: -15.896 where: short stacking energy: -15.896 Base-Backbone interact. energy: -0.057 local terms energy: -22.056167 where: bonds (distance) C4'-P energy: -5.304 bonds (distance) P-C4' energy: -5.494 flat angles C4'-P-C4' energy: -5.342 flat angles P-C4'-P energy: -1.872 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: 5, replica: 3 ===================================== Write number: 205 Temperature: 1.100000 Total energy: -26.771646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.771646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.771646 (E_RNA) where: Base-Base interactions energy: -6.040 where: short stacking energy: -6.040 Base-Backbone interact. energy: -0.001 local terms energy: -20.731216 where: bonds (distance) C4'-P energy: -4.199 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -3.223 flat angles P-C4'-P energy: -2.179 tors. eta vs tors. theta energy: -5.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 205 Temperature: 1.150000 Total energy: -26.189893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.189893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.189893 (E_RNA) where: Base-Base interactions energy: -6.410 where: short stacking energy: -6.410 Base-Backbone interact. energy: -0.003 local terms energy: -19.776934 where: bonds (distance) C4'-P energy: -4.663 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -3.348 flat angles P-C4'-P energy: -3.520 tors. eta vs tors. theta energy: -2.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 205 Temperature: 1.200000 Total energy: -28.434388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.434388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.434388 (E_RNA) where: Base-Base interactions energy: -9.820 where: short stacking energy: -9.820 Base-Backbone interact. energy: -0.007 local terms energy: -18.607617 where: bonds (distance) C4'-P energy: -4.016 bonds (distance) P-C4' energy: -5.759 flat angles C4'-P-C4' energy: -3.036 flat angles P-C4'-P energy: -3.603 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: 8, replica: 2 ===================================== Write number: 205 Temperature: 1.250000 Total energy: -29.470022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.470022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.470022 (E_RNA) where: Base-Base interactions energy: -10.998 where: short stacking energy: -10.998 Base-Backbone interact. energy: -0.000 local terms energy: -18.471856 where: bonds (distance) C4'-P energy: -4.547 bonds (distance) P-C4' energy: -4.948 flat angles C4'-P-C4' energy: -4.344 flat angles P-C4'-P energy: -2.410 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: 9, replica: 9 ===================================== Write number: 205 Temperature: 1.300000 Total energy: -22.859018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.859018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.859018 (E_RNA) where: Base-Base interactions energy: -7.768 where: short stacking energy: -7.768 Base-Backbone interact. energy: -0.046 local terms energy: -15.044924 where: bonds (distance) C4'-P energy: -4.725 bonds (distance) P-C4' energy: -4.414 flat angles C4'-P-C4' energy: -2.659 flat angles P-C4'-P energy: -3.956 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: 1 ===================================== Write number: 205 Temperature: 1.350000 Total energy: -25.751881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.751881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.751881 (E_RNA) where: Base-Base interactions energy: -8.307 where: short stacking energy: -8.307 Base-Backbone interact. energy: -0.000 local terms energy: -17.444739 where: bonds (distance) C4'-P energy: -4.413 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -2.798 flat angles P-C4'-P energy: -3.508 tors. eta vs tors. theta energy: -0.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 206 Temperature: 0.900000 Total energy: -40.488866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.488866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.488866 (E_RNA) where: Base-Base interactions energy: -14.092 where: short stacking energy: -14.092 Base-Backbone interact. energy: -0.000 local terms energy: -26.396456 where: bonds (distance) C4'-P energy: -4.865 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.271 flat angles P-C4'-P energy: -4.591 tors. eta vs tors. theta energy: -5.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 206 Temperature: 0.950000 Total energy: -32.959502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.959502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.959502 (E_RNA) where: Base-Base interactions energy: -14.416 where: short stacking energy: -14.416 Base-Backbone interact. energy: -0.000 local terms energy: -18.543357 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -2.150 flat angles P-C4'-P energy: -2.813 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: 3, replica: 8 ===================================== Write number: 206 Temperature: 1.000000 Total energy: -30.895151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.895151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.895151 (E_RNA) where: Base-Base interactions energy: -15.783 where: short stacking energy: -15.783 Base-Backbone interact. energy: -0.046 local terms energy: -15.065846 where: bonds (distance) C4'-P energy: -2.328 bonds (distance) P-C4' energy: -3.550 flat angles C4'-P-C4' energy: -4.887 flat angles P-C4'-P energy: -1.450 tors. eta vs tors. theta energy: -2.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 206 Temperature: 1.050000 Total energy: -32.454131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.454131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.454131 (E_RNA) where: Base-Base interactions energy: -12.445 where: short stacking energy: -12.445 Base-Backbone interact. energy: -0.001 local terms energy: -20.008867 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -3.995 flat angles P-C4'-P energy: -1.144 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: 5 ===================================== Write number: 206 Temperature: 1.100000 Total energy: -30.625809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.625809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.625809 (E_RNA) where: Base-Base interactions energy: -9.595 where: short stacking energy: -9.595 Base-Backbone interact. energy: -0.000 local terms energy: -21.031254 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -4.624 flat angles C4'-P-C4' energy: -2.941 flat angles P-C4'-P energy: -3.634 tors. eta vs tors. theta energy: -4.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 206 Temperature: 1.150000 Total energy: -32.738570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.738570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.738570 (E_RNA) where: Base-Base interactions energy: -10.141 where: short stacking energy: -10.141 Base-Backbone interact. energy: -0.000 local terms energy: -22.597767 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -5.146 flat angles P-C4'-P energy: -3.790 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: 206 Temperature: 1.200000 Total energy: -34.006492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.006492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.006492 (E_RNA) where: Base-Base interactions energy: -12.078 where: short stacking energy: -12.078 Base-Backbone interact. energy: -0.000 local terms energy: -21.928497 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -5.237 flat angles C4'-P-C4' energy: -2.975 flat angles P-C4'-P energy: -3.917 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: 8, replica: 4 ===================================== Write number: 206 Temperature: 1.250000 Total energy: -25.629807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.629807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.629807 (E_RNA) where: Base-Base interactions energy: -4.594 where: short stacking energy: -4.594 Base-Backbone interact. energy: -0.000 local terms energy: -21.035695 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.390 flat angles P-C4'-P energy: -3.354 tors. eta vs tors. theta energy: -1.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 206 Temperature: 1.300000 Total energy: -23.078421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.078421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.078421 (E_RNA) where: Base-Base interactions energy: -7.476 where: short stacking energy: -7.476 Base-Backbone interact. energy: -0.013 local terms energy: -15.588552 where: bonds (distance) C4'-P energy: -4.919 bonds (distance) P-C4' energy: -3.991 flat angles C4'-P-C4' energy: -4.160 flat angles P-C4'-P energy: -2.724 tors. eta vs tors. theta energy: 0.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 206 Temperature: 1.350000 Total energy: -24.794265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.794265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.794265 (E_RNA) where: Base-Base interactions energy: -4.191 where: short stacking energy: -4.191 Base-Backbone interact. energy: -0.103 local terms energy: -20.499783 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.245 flat angles P-C4'-P energy: -3.584 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: 1, replica: 10 ===================================== Write number: 207 Temperature: 0.900000 Total energy: -37.707078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.707078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.707078 (E_RNA) where: Base-Base interactions energy: -15.070 where: short stacking energy: -15.070 Base-Backbone interact. energy: -0.000 local terms energy: -22.637508 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -4.556 flat angles P-C4'-P energy: -3.841 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: 2, replica: 8 ===================================== Write number: 207 Temperature: 0.950000 Total energy: -32.674081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.674081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.674081 (E_RNA) where: Base-Base interactions energy: -11.685 where: short stacking energy: -11.685 Base-Backbone interact. energy: -0.000 local terms energy: -20.988809 where: bonds (distance) C4'-P energy: -4.423 bonds (distance) P-C4' energy: -3.227 flat angles C4'-P-C4' energy: -5.501 flat angles P-C4'-P energy: -3.812 tors. eta vs tors. theta energy: -4.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 207 Temperature: 1.000000 Total energy: -31.908455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.908455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.908455 (E_RNA) where: Base-Base interactions energy: -10.335 where: short stacking energy: -10.335 Base-Backbone interact. energy: -0.008 local terms energy: -21.565599 where: bonds (distance) C4'-P energy: -5.606 bonds (distance) P-C4' energy: -5.231 flat angles C4'-P-C4' energy: -5.408 flat angles P-C4'-P energy: -3.877 tors. eta vs tors. theta energy: -1.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 207 Temperature: 1.050000 Total energy: -29.082857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.082857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.082857 (E_RNA) where: Base-Base interactions energy: -8.712 where: short stacking energy: -8.712 Base-Backbone interact. energy: -0.003 local terms energy: -20.367565 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -3.107 flat angles P-C4'-P energy: -4.515 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: 5, replica: 6 ===================================== Write number: 207 Temperature: 1.100000 Total energy: -34.065386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.065386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.065386 (E_RNA) where: Base-Base interactions energy: -11.231 where: short stacking energy: -11.231 Base-Backbone interact. energy: -0.000 local terms energy: -22.834271 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -4.022 flat angles C4'-P-C4' energy: -5.608 flat angles P-C4'-P energy: -2.827 tors. eta vs tors. theta energy: -5.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 207 Temperature: 1.150000 Total energy: -28.050762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.050762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.050762 (E_RNA) where: Base-Base interactions energy: -11.108 where: short stacking energy: -11.108 Base-Backbone interact. energy: -0.080 local terms energy: -16.862070 where: bonds (distance) C4'-P energy: -4.637 bonds (distance) P-C4' energy: -4.832 flat angles C4'-P-C4' energy: -4.359 flat angles P-C4'-P energy: -1.081 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: 7, replica: 3 ===================================== Write number: 207 Temperature: 1.200000 Total energy: -27.437013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.437013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.437013 (E_RNA) where: Base-Base interactions energy: -6.477 where: short stacking energy: -6.477 Base-Backbone interact. energy: -0.003 local terms energy: -20.957823 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.232 flat angles P-C4'-P energy: -2.650 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: 1 ===================================== Write number: 207 Temperature: 1.250000 Total energy: -30.064532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.064532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.064532 (E_RNA) where: Base-Base interactions energy: -8.026 where: short stacking energy: -8.026 Base-Backbone interact. energy: -0.073 local terms energy: -21.965840 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -4.768 flat angles P-C4'-P energy: -3.305 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: 9, replica: 4 ===================================== Write number: 207 Temperature: 1.300000 Total energy: -28.214135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.214135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.214135 (E_RNA) where: Base-Base interactions energy: -8.117 where: short stacking energy: -8.117 Base-Backbone interact. energy: -0.000 local terms energy: -20.096488 where: bonds (distance) C4'-P energy: -4.786 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -4.992 flat angles P-C4'-P energy: -3.769 tors. eta vs tors. theta energy: -1.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 207 Temperature: 1.350000 Total energy: -24.714034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.714034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.714034 (E_RNA) where: Base-Base interactions energy: -6.654 where: short stacking energy: -6.654 Base-Backbone interact. energy: -0.000 local terms energy: -18.059097 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -4.519 flat angles C4'-P-C4' energy: -4.363 flat angles P-C4'-P energy: -3.122 tors. eta vs tors. theta energy: -1.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 208 Temperature: 0.900000 Total energy: -34.809842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.809842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.809842 (E_RNA) where: Base-Base interactions energy: -11.940 where: short stacking energy: -11.940 Base-Backbone interact. energy: -0.000 local terms energy: -22.870139 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.994 flat angles P-C4'-P energy: -4.074 tors. eta vs tors. theta energy: -2.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 208 Temperature: 0.950000 Total energy: -37.018996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.018996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.018996 (E_RNA) where: Base-Base interactions energy: -14.435 where: short stacking energy: -14.435 Base-Backbone interact. energy: -0.009 local terms energy: -22.575102 where: bonds (distance) C4'-P energy: -4.529 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.033 flat angles P-C4'-P energy: -3.988 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: 3, replica: 5 ===================================== Write number: 208 Temperature: 1.000000 Total energy: -37.000103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.000103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.000103 (E_RNA) where: Base-Base interactions energy: -15.660 where: short stacking energy: -15.660 Base-Backbone interact. energy: -0.000 local terms energy: -21.340240 where: bonds (distance) C4'-P energy: -3.271 bonds (distance) P-C4' energy: -5.298 flat angles C4'-P-C4' energy: -4.783 flat angles P-C4'-P energy: -3.672 tors. eta vs tors. theta energy: -4.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 208 Temperature: 1.050000 Total energy: -28.468079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.468079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.468079 (E_RNA) where: Base-Base interactions energy: -8.292 where: short stacking energy: -8.373 Base-Backbone interact. energy: -0.002 local terms energy: -20.173811 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.166 flat angles P-C4'-P energy: -3.874 tors. eta vs tors. theta energy: 0.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 208 Temperature: 1.100000 Total energy: -33.561032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.561032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.561032 (E_RNA) where: Base-Base interactions energy: -10.855 where: short stacking energy: -10.855 Base-Backbone interact. energy: -0.000 local terms energy: -22.706141 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -4.939 flat angles C4'-P-C4' energy: -5.417 flat angles P-C4'-P energy: -3.744 tors. eta vs tors. theta energy: -3.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 208 Temperature: 1.150000 Total energy: -28.555076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.555076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.555076 (E_RNA) where: Base-Base interactions energy: -9.110 where: short stacking energy: -7.276 Base-Backbone interact. energy: 0.734 local terms energy: -20.178431 where: bonds (distance) C4'-P energy: -4.795 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -4.214 flat angles P-C4'-P energy: -2.852 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: 7, replica: 1 ===================================== Write number: 208 Temperature: 1.200000 Total energy: -31.841319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.841319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.841319 (E_RNA) where: Base-Base interactions energy: -12.097 where: short stacking energy: -12.097 Base-Backbone interact. energy: -0.000 local terms energy: -19.743993 where: bonds (distance) C4'-P energy: -4.140 bonds (distance) P-C4' energy: -5.311 flat angles C4'-P-C4' energy: -3.990 flat angles P-C4'-P energy: -3.526 tors. eta vs tors. theta energy: -2.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 208 Temperature: 1.250000 Total energy: -24.520049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.520049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.520049 (E_RNA) where: Base-Base interactions energy: -8.031 where: short stacking energy: -8.031 Base-Backbone interact. energy: -0.010 local terms energy: -16.479548 where: bonds (distance) C4'-P energy: -3.275 bonds (distance) P-C4' energy: -3.980 flat angles C4'-P-C4' energy: -3.905 flat angles P-C4'-P energy: -3.762 tors. eta vs tors. theta energy: -1.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 208 Temperature: 1.300000 Total energy: -23.815826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.815826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.815826 (E_RNA) where: Base-Base interactions energy: -5.251 where: short stacking energy: -5.251 Base-Backbone interact. energy: -0.041 local terms energy: -18.523767 where: bonds (distance) C4'-P energy: -3.768 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -3.196 flat angles P-C4'-P energy: -2.234 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: 10, replica: 9 ===================================== Write number: 208 Temperature: 1.350000 Total energy: -25.145644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.145644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.145644 (E_RNA) where: Base-Base interactions energy: -6.799 where: short stacking energy: -6.799 Base-Backbone interact. energy: -0.032 local terms energy: -18.314670 where: bonds (distance) C4'-P energy: -4.235 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -4.223 flat angles P-C4'-P energy: -3.812 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: 1, replica: 8 ===================================== Write number: 209 Temperature: 0.900000 Total energy: -38.187496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.187496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.187496 (E_RNA) where: Base-Base interactions energy: -14.792 where: short stacking energy: -14.792 Base-Backbone interact. energy: -0.017 local terms energy: -23.378579 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.804 flat angles P-C4'-P energy: -3.774 tors. eta vs tors. theta energy: -3.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 209 Temperature: 0.950000 Total energy: -31.293511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.293511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.293511 (E_RNA) where: Base-Base interactions energy: -11.765 where: short stacking energy: -11.765 Base-Backbone interact. energy: -0.068 local terms energy: -19.460841 where: bonds (distance) C4'-P energy: -5.196 bonds (distance) P-C4' energy: -4.406 flat angles C4'-P-C4' energy: -3.783 flat angles P-C4'-P energy: -4.360 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: 3, replica: 10 ===================================== Write number: 209 Temperature: 1.000000 Total energy: -26.866038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.866038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.866038 (E_RNA) where: Base-Base interactions energy: -11.987 where: short stacking energy: -11.987 Base-Backbone interact. energy: -0.043 local terms energy: -14.835291 where: bonds (distance) C4'-P energy: -2.473 bonds (distance) P-C4' energy: -4.713 flat angles C4'-P-C4' energy: -3.598 flat angles P-C4'-P energy: -2.399 tors. eta vs tors. theta energy: -1.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 209 Temperature: 1.050000 Total energy: -30.204117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.204117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.204117 (E_RNA) where: Base-Base interactions energy: -11.830 where: short stacking energy: -11.830 Base-Backbone interact. energy: -0.000 local terms energy: -18.374076 where: bonds (distance) C4'-P energy: -4.609 bonds (distance) P-C4' energy: -4.935 flat angles C4'-P-C4' energy: -4.431 flat angles P-C4'-P energy: -3.084 tors. eta vs tors. theta energy: -1.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 209 Temperature: 1.100000 Total energy: -34.921275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.921275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.921275 (E_RNA) where: Base-Base interactions energy: -11.419 where: short stacking energy: -11.419 Base-Backbone interact. energy: -0.000 local terms energy: -23.502412 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.566 flat angles P-C4'-P energy: -3.406 tors. eta vs tors. theta energy: -4.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 209 Temperature: 1.150000 Total energy: -29.129400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.129400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.129400 (E_RNA) where: Base-Base interactions energy: -12.160 where: short stacking energy: -12.160 Base-Backbone interact. energy: -0.000 local terms energy: -16.969735 where: bonds (distance) C4'-P energy: -3.775 bonds (distance) P-C4' energy: -2.783 flat angles C4'-P-C4' energy: -5.256 flat angles P-C4'-P energy: -3.319 tors. eta vs tors. theta energy: -1.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 209 Temperature: 1.200000 Total energy: -29.743288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.743288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.743288 (E_RNA) where: Base-Base interactions energy: -10.244 where: short stacking energy: -10.244 Base-Backbone interact. energy: -0.101 local terms energy: -19.397612 where: bonds (distance) C4'-P energy: -3.652 bonds (distance) P-C4' energy: -4.019 flat angles C4'-P-C4' energy: -5.766 flat angles P-C4'-P energy: -3.840 tors. eta vs tors. theta energy: -2.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 209 Temperature: 1.250000 Total energy: -35.355208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.355208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.355208 (E_RNA) where: Base-Base interactions energy: -14.814 where: short stacking energy: -14.814 Base-Backbone interact. energy: -0.000 local terms energy: -20.540690 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -4.681 flat angles C4'-P-C4' energy: -4.725 flat angles P-C4'-P energy: -2.681 tors. eta vs tors. theta energy: -3.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 209 Temperature: 1.300000 Total energy: -24.080341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.080341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.080341 (E_RNA) where: Base-Base interactions energy: -6.250 where: short stacking energy: -6.250 Base-Backbone interact. energy: 0.013 local terms energy: -17.843371 where: bonds (distance) C4'-P energy: -4.795 bonds (distance) P-C4' energy: -3.768 flat angles C4'-P-C4' energy: -5.084 flat angles P-C4'-P energy: -3.193 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: 10, replica: 9 ===================================== Write number: 209 Temperature: 1.350000 Total energy: -25.601360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.601360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.601360 (E_RNA) where: Base-Base interactions energy: -7.826 where: short stacking energy: -7.826 Base-Backbone interact. energy: -0.000 local terms energy: -17.775090 where: bonds (distance) C4'-P energy: -4.778 bonds (distance) P-C4' energy: -4.160 flat angles C4'-P-C4' energy: -4.545 flat angles P-C4'-P energy: -3.110 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: 1, replica: 5 ===================================== Write number: 210 Temperature: 0.900000 Total energy: -31.651956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.651956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.651956 (E_RNA) where: Base-Base interactions energy: -10.241 where: short stacking energy: -10.241 Base-Backbone interact. energy: -0.073 local terms energy: -21.338680 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -4.781 flat angles P-C4'-P energy: -1.578 tors. eta vs tors. theta energy: -3.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 210 Temperature: 0.950000 Total energy: -35.297296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.297296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.297296 (E_RNA) where: Base-Base interactions energy: -12.999 where: short stacking energy: -12.999 Base-Backbone interact. energy: -0.000 local terms energy: -22.298736 where: bonds (distance) C4'-P energy: -4.335 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -5.264 flat angles P-C4'-P energy: -3.536 tors. eta vs tors. theta energy: -2.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 210 Temperature: 1.000000 Total energy: -33.669439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.669439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.669439 (E_RNA) where: Base-Base interactions energy: -13.021 where: short stacking energy: -13.021 Base-Backbone interact. energy: -0.021 local terms energy: -20.627471 where: bonds (distance) C4'-P energy: -4.663 bonds (distance) P-C4' energy: -3.311 flat angles C4'-P-C4' energy: -5.428 flat angles P-C4'-P energy: -3.039 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: 4, replica: 10 ===================================== Write number: 210 Temperature: 1.050000 Total energy: -30.872430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.872430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.872430 (E_RNA) where: Base-Base interactions energy: -11.918 where: short stacking energy: -11.918 Base-Backbone interact. energy: -0.030 local terms energy: -18.924338 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -4.448 flat angles C4'-P-C4' energy: -5.077 flat angles P-C4'-P energy: -2.837 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: 5, replica: 1 ===================================== Write number: 210 Temperature: 1.100000 Total energy: -30.576772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.576772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.576772 (E_RNA) where: Base-Base interactions energy: -11.940 where: short stacking energy: -11.940 Base-Backbone interact. energy: -0.001 local terms energy: -18.635600 where: bonds (distance) C4'-P energy: -4.555 bonds (distance) P-C4' energy: -2.873 flat angles C4'-P-C4' energy: -4.867 flat angles P-C4'-P energy: -2.670 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: 7 ===================================== Write number: 210 Temperature: 1.150000 Total energy: -26.553915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.553915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.553915 (E_RNA) where: Base-Base interactions energy: -7.445 where: short stacking energy: -7.445 Base-Backbone interact. energy: -0.000 local terms energy: -19.108165 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -1.648 flat angles P-C4'-P energy: -3.889 tors. eta vs tors. theta energy: -1.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 210 Temperature: 1.200000 Total energy: -27.405610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.405610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.405610 (E_RNA) where: Base-Base interactions energy: -7.792 where: short stacking energy: -7.792 Base-Backbone interact. energy: -0.006 local terms energy: -19.608075 where: bonds (distance) C4'-P energy: -2.957 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.877 flat angles P-C4'-P energy: -3.889 tors. eta vs tors. theta energy: -1.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 210 Temperature: 1.250000 Total energy: -28.308376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.308376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.308376 (E_RNA) where: Base-Base interactions energy: -8.903 where: short stacking energy: -8.903 Base-Backbone interact. energy: -0.039 local terms energy: -19.367182 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.522 flat angles C4'-P-C4' energy: -4.610 flat angles P-C4'-P energy: -1.151 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: 3 ===================================== Write number: 210 Temperature: 1.300000 Total energy: -27.345367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.345367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.345367 (E_RNA) where: Base-Base interactions energy: -9.772 where: short stacking energy: -9.772 Base-Backbone interact. energy: -0.046 local terms energy: -17.526998 where: bonds (distance) C4'-P energy: -3.632 bonds (distance) P-C4' energy: -5.540 flat angles C4'-P-C4' energy: -5.433 flat angles P-C4'-P energy: -2.383 tors. eta vs tors. theta energy: -0.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 210 Temperature: 1.350000 Total energy: -25.961248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.961248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.961248 (E_RNA) where: Base-Base interactions energy: -10.639 where: short stacking energy: -10.639 Base-Backbone interact. energy: -0.510 local terms energy: -14.812235 where: bonds (distance) C4'-P energy: -3.868 bonds (distance) P-C4' energy: -3.311 flat angles C4'-P-C4' energy: -3.333 flat angles P-C4'-P energy: -1.367 tors. eta vs tors. theta energy: -2.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 211 Temperature: 0.900000 Total energy: -35.415332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.415332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.415332 (E_RNA) where: Base-Base interactions energy: -13.413 where: short stacking energy: -13.413 Base-Backbone interact. energy: -0.002 local terms energy: -22.001030 where: bonds (distance) C4'-P energy: -4.219 bonds (distance) P-C4' energy: -5.043 flat angles C4'-P-C4' energy: -5.348 flat angles P-C4'-P energy: -2.603 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: 2, replica: 6 ===================================== Write number: 211 Temperature: 0.950000 Total energy: -34.154022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.154022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.154022 (E_RNA) where: Base-Base interactions energy: -11.778 where: short stacking energy: -11.778 Base-Backbone interact. energy: -0.015 local terms energy: -22.360640 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -4.181 flat angles C4'-P-C4' energy: -5.083 flat angles P-C4'-P energy: -3.663 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: 3, replica: 8 ===================================== Write number: 211 Temperature: 1.000000 Total energy: -30.489984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.489984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.489984 (E_RNA) where: Base-Base interactions energy: -11.704 where: short stacking energy: -11.704 Base-Backbone interact. energy: -0.005 local terms energy: -18.781143 where: bonds (distance) C4'-P energy: -3.110 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.795 flat angles P-C4'-P energy: -2.795 tors. eta vs tors. theta energy: -2.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 211 Temperature: 1.050000 Total energy: -31.729112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.729112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.729112 (E_RNA) where: Base-Base interactions energy: -13.713 where: short stacking energy: -13.713 Base-Backbone interact. energy: -0.002 local terms energy: -18.013853 where: bonds (distance) C4'-P energy: -3.412 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -4.552 flat angles P-C4'-P energy: -2.853 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: 5, replica: 10 ===================================== Write number: 211 Temperature: 1.100000 Total energy: -37.192147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.192147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.192147 (E_RNA) where: Base-Base interactions energy: -12.525 where: short stacking energy: -12.525 Base-Backbone interact. energy: -0.001 local terms energy: -24.666747 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -4.375 flat angles P-C4'-P energy: -3.803 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: 6, replica: 4 ===================================== Write number: 211 Temperature: 1.150000 Total energy: -31.578740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.578740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.578740 (E_RNA) where: Base-Base interactions energy: -10.708 where: short stacking energy: -10.708 Base-Backbone interact. energy: -0.030 local terms energy: -20.840146 where: bonds (distance) C4'-P energy: -3.676 bonds (distance) P-C4' energy: -3.997 flat angles C4'-P-C4' energy: -5.298 flat angles P-C4'-P energy: -4.568 tors. eta vs tors. theta energy: -3.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 211 Temperature: 1.200000 Total energy: -27.190592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.190592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.190592 (E_RNA) where: Base-Base interactions energy: -7.406 where: short stacking energy: -7.406 Base-Backbone interact. energy: -0.000 local terms energy: -19.784425 where: bonds (distance) C4'-P energy: -4.124 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.623 flat angles P-C4'-P energy: -2.468 tors. eta vs tors. theta energy: -1.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 211 Temperature: 1.250000 Total energy: -27.557002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.557002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.557002 (E_RNA) where: Base-Base interactions energy: -8.900 where: short stacking energy: -8.900 Base-Backbone interact. energy: -0.004 local terms energy: -18.652227 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -3.959 flat angles C4'-P-C4' energy: -5.044 flat angles P-C4'-P energy: -3.655 tors. eta vs tors. theta energy: -0.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 211 Temperature: 1.300000 Total energy: -23.809588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.809588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.809588 (E_RNA) where: Base-Base interactions energy: -6.742 where: short stacking energy: -6.742 Base-Backbone interact. energy: -0.020 local terms energy: -17.047673 where: bonds (distance) C4'-P energy: -2.418 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -3.757 flat angles P-C4'-P energy: -2.877 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: 10, replica: 9 ===================================== Write number: 211 Temperature: 1.350000 Total energy: -25.077741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.077741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.077741 (E_RNA) where: Base-Base interactions energy: -10.447 where: short stacking energy: -10.447 Base-Backbone interact. energy: -0.001 local terms energy: -14.630337 where: bonds (distance) C4'-P energy: -3.031 bonds (distance) P-C4' energy: -1.501 flat angles C4'-P-C4' energy: -4.226 flat angles P-C4'-P energy: -2.543 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: 5 ===================================== Write number: 212 Temperature: 0.900000 Total energy: -31.074013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.074013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.074013 (E_RNA) where: Base-Base interactions energy: -12.048 where: short stacking energy: -12.048 Base-Backbone interact. energy: -0.005 local terms energy: -19.020496 where: bonds (distance) C4'-P energy: -4.423 bonds (distance) P-C4' energy: -4.252 flat angles C4'-P-C4' energy: -5.362 flat angles P-C4'-P energy: -2.960 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: 6 ===================================== Write number: 212 Temperature: 0.950000 Total energy: -35.943661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.943661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.943661 (E_RNA) where: Base-Base interactions energy: -15.047 where: short stacking energy: -15.047 Base-Backbone interact. energy: -0.012 local terms energy: -20.884833 where: bonds (distance) C4'-P energy: -4.609 bonds (distance) P-C4' energy: -5.227 flat angles C4'-P-C4' energy: -4.800 flat angles P-C4'-P energy: -1.943 tors. eta vs tors. theta energy: -4.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 212 Temperature: 1.000000 Total energy: -32.946983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.946983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.946983 (E_RNA) where: Base-Base interactions energy: -11.798 where: short stacking energy: -11.798 Base-Backbone interact. energy: -0.001 local terms energy: -21.147579 where: bonds (distance) C4'-P energy: -3.863 bonds (distance) P-C4' energy: -3.590 flat angles C4'-P-C4' energy: -5.097 flat angles P-C4'-P energy: -4.231 tors. eta vs tors. theta energy: -4.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 212 Temperature: 1.050000 Total energy: -34.350599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.350599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.350599 (E_RNA) where: Base-Base interactions energy: -14.212 where: short stacking energy: -14.212 Base-Backbone interact. energy: -0.000 local terms energy: -20.138346 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -4.002 flat angles P-C4'-P energy: -3.593 tors. eta vs tors. theta energy: -2.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 212 Temperature: 1.100000 Total energy: -28.711215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.711215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.711215 (E_RNA) where: Base-Base interactions energy: -7.853 where: short stacking energy: -7.853 Base-Backbone interact. energy: -0.000 local terms energy: -20.857776 where: bonds (distance) C4'-P energy: -4.369 bonds (distance) P-C4' energy: -5.298 flat angles C4'-P-C4' energy: -3.847 flat angles P-C4'-P energy: -3.293 tors. eta vs tors. theta energy: -4.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 212 Temperature: 1.150000 Total energy: -27.985695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.985695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.985695 (E_RNA) where: Base-Base interactions energy: -6.975 where: short stacking energy: -6.975 Base-Backbone interact. energy: -0.000 local terms energy: -21.011015 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.494 flat angles P-C4'-P energy: -3.650 tors. eta vs tors. theta energy: -1.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 212 Temperature: 1.200000 Total energy: -25.199428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.199428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.199428 (E_RNA) where: Base-Base interactions energy: -7.888 where: short stacking energy: -7.888 Base-Backbone interact. energy: -0.026 local terms energy: -17.285492 where: bonds (distance) C4'-P energy: -4.637 bonds (distance) P-C4' energy: -4.642 flat angles C4'-P-C4' energy: -4.012 flat angles P-C4'-P energy: -4.316 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: 8, replica: 7 ===================================== Write number: 212 Temperature: 1.250000 Total energy: -29.141574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.141574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.141574 (E_RNA) where: Base-Base interactions energy: -7.673 where: short stacking energy: -7.673 Base-Backbone interact. energy: -0.000 local terms energy: -21.468147 where: bonds (distance) C4'-P energy: -3.784 bonds (distance) P-C4' energy: -5.333 flat angles C4'-P-C4' energy: -5.466 flat angles P-C4'-P energy: -3.219 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: 9, replica: 2 ===================================== Write number: 212 Temperature: 1.300000 Total energy: -27.941276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.941276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.941276 (E_RNA) where: Base-Base interactions energy: -6.955 where: short stacking energy: -6.955 Base-Backbone interact. energy: -0.002 local terms energy: -20.984067 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -5.759 flat angles C4'-P-C4' energy: -5.509 flat angles P-C4'-P energy: -2.845 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: 10, replica: 9 ===================================== Write number: 212 Temperature: 1.350000 Total energy: -24.874260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.874260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.874260 (E_RNA) where: Base-Base interactions energy: -5.385 where: short stacking energy: -5.385 Base-Backbone interact. energy: -0.000 local terms energy: -19.489315 where: bonds (distance) C4'-P energy: -3.764 bonds (distance) P-C4' energy: -4.252 flat angles C4'-P-C4' energy: -5.008 flat angles P-C4'-P energy: -4.147 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: 1, replica: 5 ===================================== Write number: 213 Temperature: 0.900000 Total energy: -38.213819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.213819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.213819 (E_RNA) where: Base-Base interactions energy: -15.746 where: short stacking energy: -15.746 Base-Backbone interact. energy: -0.001 local terms energy: -22.467524 where: bonds (distance) C4'-P energy: -4.245 bonds (distance) P-C4' energy: -4.709 flat angles C4'-P-C4' energy: -5.325 flat angles P-C4'-P energy: -3.947 tors. eta vs tors. theta energy: -4.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 213 Temperature: 0.950000 Total energy: -34.358512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.358512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.358512 (E_RNA) where: Base-Base interactions energy: -15.144 where: short stacking energy: -15.144 Base-Backbone interact. energy: -0.000 local terms energy: -19.214017 where: bonds (distance) C4'-P energy: -3.946 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -4.442 flat angles P-C4'-P energy: -2.953 tors. eta vs tors. theta energy: -2.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 213 Temperature: 1.000000 Total energy: -30.566910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.566910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.566910 (E_RNA) where: Base-Base interactions energy: -12.820 where: short stacking energy: -12.820 Base-Backbone interact. energy: -0.083 local terms energy: -17.663901 where: bonds (distance) C4'-P energy: -3.979 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -4.306 flat angles P-C4'-P energy: -3.487 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: 4, replica: 4 ===================================== Write number: 213 Temperature: 1.050000 Total energy: -28.148241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.148241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.148241 (E_RNA) where: Base-Base interactions energy: -9.062 where: short stacking energy: -9.062 Base-Backbone interact. energy: -0.000 local terms energy: -19.085747 where: bonds (distance) C4'-P energy: -5.275 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -5.692 flat angles P-C4'-P energy: -2.061 tors. eta vs tors. theta energy: -0.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 213 Temperature: 1.100000 Total energy: -27.763474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.763474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.763474 (E_RNA) where: Base-Base interactions energy: -8.315 where: short stacking energy: -8.315 Base-Backbone interact. energy: -0.010 local terms energy: -19.438414 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -5.696 flat angles P-C4'-P energy: -3.216 tors. eta vs tors. theta energy: 0.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 213 Temperature: 1.150000 Total energy: -31.532628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.532628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.532628 (E_RNA) where: Base-Base interactions energy: -11.673 where: short stacking energy: -11.673 Base-Backbone interact. energy: -0.000 local terms energy: -19.859437 where: bonds (distance) C4'-P energy: -4.227 bonds (distance) P-C4' energy: -4.618 flat angles C4'-P-C4' energy: -4.212 flat angles P-C4'-P energy: -4.588 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: 7, replica: 3 ===================================== Write number: 213 Temperature: 1.200000 Total energy: -30.148747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.148747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.148747 (E_RNA) where: Base-Base interactions energy: -10.553 where: short stacking energy: -10.553 Base-Backbone interact. energy: -0.000 local terms energy: -19.595717 where: bonds (distance) C4'-P energy: -3.171 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -4.423 flat angles P-C4'-P energy: -3.670 tors. eta vs tors. theta energy: -2.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 213 Temperature: 1.250000 Total energy: -24.917325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.917325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.917325 (E_RNA) where: Base-Base interactions energy: -7.276 where: short stacking energy: -7.276 Base-Backbone interact. energy: -0.000 local terms energy: -17.641536 where: bonds (distance) C4'-P energy: -4.057 bonds (distance) P-C4' energy: -4.448 flat angles C4'-P-C4' energy: -4.926 flat angles P-C4'-P energy: -2.585 tors. eta vs tors. theta energy: -1.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 213 Temperature: 1.300000 Total energy: -24.280814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.280814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.280814 (E_RNA) where: Base-Base interactions energy: -5.725 where: short stacking energy: -5.725 Base-Backbone interact. energy: -0.000 local terms energy: -18.554906 where: bonds (distance) C4'-P energy: -4.529 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.320 flat angles P-C4'-P energy: -2.226 tors. eta vs tors. theta energy: -1.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 213 Temperature: 1.350000 Total energy: -29.833369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.833369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.833369 (E_RNA) where: Base-Base interactions energy: -12.340 where: short stacking energy: -12.340 Base-Backbone interact. energy: -0.000 local terms energy: -17.493395 where: bonds (distance) C4'-P energy: -2.965 bonds (distance) P-C4' energy: -5.100 flat angles C4'-P-C4' energy: -5.874 flat angles P-C4'-P energy: -3.443 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: 1, replica: 1 ===================================== Write number: 214 Temperature: 0.900000 Total energy: -37.700896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.700896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.700896 (E_RNA) where: Base-Base interactions energy: -15.206 where: short stacking energy: -15.206 Base-Backbone interact. energy: -0.058 local terms energy: -22.437736 where: bonds (distance) C4'-P energy: -5.159 bonds (distance) P-C4' energy: -5.540 flat angles C4'-P-C4' energy: -4.108 flat angles P-C4'-P energy: -3.604 tors. eta vs tors. theta energy: -4.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 214 Temperature: 0.950000 Total energy: -36.287610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.287610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.287610 (E_RNA) where: Base-Base interactions energy: -15.145 where: short stacking energy: -15.145 Base-Backbone interact. energy: -0.000 local terms energy: -21.141897 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -4.885 flat angles P-C4'-P energy: -3.206 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: 3, replica: 6 ===================================== Write number: 214 Temperature: 1.000000 Total energy: -35.235715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.235715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.235715 (E_RNA) where: Base-Base interactions energy: -11.993 where: short stacking energy: -11.993 Base-Backbone interact. energy: -0.000 local terms energy: -23.242544 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.344 flat angles P-C4'-P energy: -2.679 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: 4, replica: 4 ===================================== Write number: 214 Temperature: 1.050000 Total energy: -31.544087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.544087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.544087 (E_RNA) where: Base-Base interactions energy: -9.470 where: short stacking energy: -9.470 Base-Backbone interact. energy: -0.045 local terms energy: -22.029872 where: bonds (distance) C4'-P energy: -4.840 bonds (distance) P-C4' energy: -5.759 flat angles C4'-P-C4' energy: -4.169 flat angles P-C4'-P energy: -3.964 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: 5, replica: 10 ===================================== Write number: 214 Temperature: 1.100000 Total energy: -31.009947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.009947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.009947 (E_RNA) where: Base-Base interactions energy: -10.933 where: short stacking energy: -10.933 Base-Backbone interact. energy: -0.000 local terms energy: -20.076457 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.283 flat angles C4'-P-C4' energy: -4.143 flat angles P-C4'-P energy: -2.371 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: 6, replica: 8 ===================================== Write number: 214 Temperature: 1.150000 Total energy: -30.481997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.481997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.481997 (E_RNA) where: Base-Base interactions energy: -8.965 where: short stacking energy: -8.965 Base-Backbone interact. energy: -0.000 local terms energy: -21.516584 where: bonds (distance) C4'-P energy: -5.275 bonds (distance) P-C4' energy: -5.460 flat angles C4'-P-C4' energy: -5.942 flat angles P-C4'-P energy: -0.495 tors. eta vs tors. theta energy: -4.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 214 Temperature: 1.200000 Total energy: -29.888648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.888648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.888648 (E_RNA) where: Base-Base interactions energy: -10.596 where: short stacking energy: -10.596 Base-Backbone interact. energy: -0.000 local terms energy: -19.292391 where: bonds (distance) C4'-P energy: -4.261 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -3.525 flat angles P-C4'-P energy: -2.660 tors. eta vs tors. theta energy: -3.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 214 Temperature: 1.250000 Total energy: -27.056035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.056035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.056035 (E_RNA) where: Base-Base interactions energy: -10.064 where: short stacking energy: -10.064 Base-Backbone interact. energy: -0.074 local terms energy: -16.917879 where: bonds (distance) C4'-P energy: -3.818 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -1.944 flat angles P-C4'-P energy: -3.070 tors. eta vs tors. theta energy: -3.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 214 Temperature: 1.300000 Total energy: -25.703403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.703403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.703403 (E_RNA) where: Base-Base interactions energy: -8.774 where: short stacking energy: -8.774 Base-Backbone interact. energy: -0.000 local terms energy: -16.929461 where: bonds (distance) C4'-P energy: -4.645 bonds (distance) P-C4' energy: -5.494 flat angles C4'-P-C4' energy: -4.783 flat angles P-C4'-P energy: -1.251 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: 10, replica: 7 ===================================== Write number: 214 Temperature: 1.350000 Total energy: -23.612957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.612957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.612957 (E_RNA) where: Base-Base interactions energy: -6.965 where: short stacking energy: -6.965 Base-Backbone interact. energy: -0.007 local terms energy: -16.640722 where: bonds (distance) C4'-P energy: -3.279 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -5.096 flat angles P-C4'-P energy: -1.577 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: 1, replica: 1 ===================================== Write number: 215 Temperature: 0.900000 Total energy: -36.307681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.307681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.307681 (E_RNA) where: Base-Base interactions energy: -15.698 where: short stacking energy: -15.698 Base-Backbone interact. energy: -0.010 local terms energy: -20.599143 where: bonds (distance) C4'-P energy: -4.637 bonds (distance) P-C4' energy: -3.956 flat angles C4'-P-C4' energy: -4.978 flat angles P-C4'-P energy: -3.686 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: 215 Temperature: 0.950000 Total energy: -33.940877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.940877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.940877 (E_RNA) where: Base-Base interactions energy: -12.829 where: short stacking energy: -12.829 Base-Backbone interact. energy: -0.030 local terms energy: -21.082687 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -5.466 flat angles P-C4'-P energy: -1.732 tors. eta vs tors. theta energy: -3.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 215 Temperature: 1.000000 Total energy: -33.607564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.607564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.607564 (E_RNA) where: Base-Base interactions energy: -11.265 where: short stacking energy: -11.265 Base-Backbone interact. energy: -0.000 local terms energy: -22.342006 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -4.624 flat angles C4'-P-C4' energy: -3.933 flat angles P-C4'-P energy: -3.939 tors. eta vs tors. theta energy: -4.874 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: 4, replica: 10 ===================================== Write number: 215 Temperature: 1.050000 Total energy: -32.274675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.274675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.274675 (E_RNA) where: Base-Base interactions energy: -7.630 where: short stacking energy: -7.630 Base-Backbone interact. energy: -0.000 local terms energy: -24.644877 where: bonds (distance) C4'-P energy: -5.010 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -5.192 flat angles P-C4'-P energy: -3.222 tors. eta vs tors. theta energy: -5.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 215 Temperature: 1.100000 Total energy: -28.228877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.228877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.228877 (E_RNA) where: Base-Base interactions energy: -6.077 where: short stacking energy: -6.077 Base-Backbone interact. energy: -0.061 local terms energy: -22.090422 where: bonds (distance) C4'-P energy: -5.498 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -5.746 flat angles P-C4'-P energy: -3.317 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: 6, replica: 2 ===================================== Write number: 215 Temperature: 1.150000 Total energy: -25.706015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.706015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.706015 (E_RNA) where: Base-Base interactions energy: -7.509 where: short stacking energy: -7.509 Base-Backbone interact. energy: -0.033 local terms energy: -18.164418 where: bonds (distance) C4'-P energy: -4.981 bonds (distance) P-C4' energy: -4.780 flat angles C4'-P-C4' energy: -5.696 flat angles P-C4'-P energy: -0.844 tors. eta vs tors. theta energy: -1.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 215 Temperature: 1.200000 Total energy: -28.830057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.830057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.830057 (E_RNA) where: Base-Base interactions energy: -9.336 where: short stacking energy: -9.336 Base-Backbone interact. energy: -0.000 local terms energy: -19.493665 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -5.222 flat angles P-C4'-P energy: -3.551 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: 8, replica: 9 ===================================== Write number: 215 Temperature: 1.250000 Total energy: -25.180047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.180047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.180047 (E_RNA) where: Base-Base interactions energy: -6.017 where: short stacking energy: -6.017 Base-Backbone interact. energy: -0.000 local terms energy: -19.162385 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -3.464 flat angles P-C4'-P energy: -3.153 tors. eta vs tors. theta energy: -1.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 215 Temperature: 1.300000 Total energy: -25.308526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.308526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.308526 (E_RNA) where: Base-Base interactions energy: -6.572 where: short stacking energy: -6.572 Base-Backbone interact. energy: -0.044 local terms energy: -18.692378 where: bonds (distance) C4'-P energy: -5.018 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -3.720 flat angles P-C4'-P energy: -3.116 tors. eta vs tors. theta energy: -1.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 215 Temperature: 1.350000 Total energy: -23.604826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.604826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.604826 (E_RNA) where: Base-Base interactions energy: -3.518 where: short stacking energy: -3.518 Base-Backbone interact. energy: -0.007 local terms energy: -20.079648 where: bonds (distance) C4'-P energy: -3.544 bonds (distance) P-C4' energy: -4.939 flat angles C4'-P-C4' energy: -5.590 flat angles P-C4'-P energy: -4.720 tors. eta vs tors. theta energy: -1.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 216 Temperature: 0.900000 Total energy: -36.792826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.792826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.792826 (E_RNA) where: Base-Base interactions energy: -14.952 where: short stacking energy: -14.952 Base-Backbone interact. energy: -0.001 local terms energy: -21.840240 where: bonds (distance) C4'-P energy: -4.537 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -4.479 flat angles P-C4'-P energy: -3.685 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: 1 ===================================== Write number: 216 Temperature: 0.950000 Total energy: -32.862041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.862041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.862041 (E_RNA) where: Base-Base interactions energy: -11.052 where: short stacking energy: -11.052 Base-Backbone interact. energy: -0.002 local terms energy: -21.807554 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.079 flat angles P-C4'-P energy: -3.944 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: 3, replica: 10 ===================================== Write number: 216 Temperature: 1.000000 Total energy: -36.642329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.642329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.642329 (E_RNA) where: Base-Base interactions energy: -15.013 where: short stacking energy: -15.013 Base-Backbone interact. energy: -0.000 local terms energy: -21.629137 where: bonds (distance) C4'-P energy: -4.778 bonds (distance) P-C4' energy: -4.519 flat angles C4'-P-C4' energy: -5.126 flat angles P-C4'-P energy: -3.357 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: 4, replica: 5 ===================================== Write number: 216 Temperature: 1.050000 Total energy: -32.061314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.061314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.061314 (E_RNA) where: Base-Base interactions energy: -10.484 where: short stacking energy: -10.484 Base-Backbone interact. energy: -0.004 local terms energy: -21.572857 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -4.020 flat angles P-C4'-P energy: -4.097 tors. eta vs tors. theta energy: -3.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 216 Temperature: 1.100000 Total energy: -25.541153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.541153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.541153 (E_RNA) where: Base-Base interactions energy: -6.051 where: short stacking energy: -6.051 Base-Backbone interact. energy: -0.000 local terms energy: -19.490277 where: bonds (distance) C4'-P energy: -1.553 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -5.046 flat angles P-C4'-P energy: -4.572 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: 4 ===================================== Write number: 216 Temperature: 1.150000 Total energy: -29.780447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.780447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.780447 (E_RNA) where: Base-Base interactions energy: -8.079 where: short stacking energy: -8.079 Base-Backbone interact. energy: -0.000 local terms energy: -21.701749 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -4.709 flat angles C4'-P-C4' energy: -5.770 flat angles P-C4'-P energy: -3.701 tors. eta vs tors. theta energy: -2.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 216 Temperature: 1.200000 Total energy: -26.343065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.343065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.343065 (E_RNA) where: Base-Base interactions energy: -9.433 where: short stacking energy: -9.433 Base-Backbone interact. energy: 1.854 local terms energy: -18.764533 where: bonds (distance) C4'-P energy: -4.753 bonds (distance) P-C4' energy: -4.642 flat angles C4'-P-C4' energy: -3.937 flat angles P-C4'-P energy: -4.139 tors. eta vs tors. theta energy: -1.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 216 Temperature: 1.250000 Total energy: -26.202423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.202423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.202423 (E_RNA) where: Base-Base interactions energy: -6.682 where: short stacking energy: -6.682 Base-Backbone interact. energy: -0.000 local terms energy: -19.520178 where: bonds (distance) C4'-P energy: -3.516 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -4.021 flat angles P-C4'-P energy: -4.332 tors. eta vs tors. theta energy: -1.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 216 Temperature: 1.300000 Total energy: -30.691579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.691579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.691579 (E_RNA) where: Base-Base interactions energy: -11.951 where: short stacking energy: -11.951 Base-Backbone interact. energy: -0.000 local terms energy: -18.740451 where: bonds (distance) C4'-P energy: -3.163 bonds (distance) P-C4' energy: -4.935 flat angles C4'-P-C4' energy: -5.204 flat angles P-C4'-P energy: -2.853 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: 10, replica: 3 ===================================== Write number: 216 Temperature: 1.350000 Total energy: -27.499970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.499970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.499970 (E_RNA) where: Base-Base interactions energy: -6.954 where: short stacking energy: -6.954 Base-Backbone interact. energy: -0.000 local terms energy: -20.546215 where: bonds (distance) C4'-P energy: -5.159 bonds (distance) P-C4' energy: -5.566 flat angles C4'-P-C4' energy: -4.269 flat angles P-C4'-P energy: -4.553 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: 6 ===================================== Write number: 217 Temperature: 0.900000 Total energy: -35.878455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.878455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.878455 (E_RNA) where: Base-Base interactions energy: -13.959 where: short stacking energy: -13.959 Base-Backbone interact. energy: -0.000 local terms energy: -21.919214 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -4.706 flat angles C4'-P-C4' energy: -4.999 flat angles P-C4'-P energy: -2.663 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: 2, replica: 10 ===================================== Write number: 217 Temperature: 0.950000 Total energy: -34.203249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.203249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.203249 (E_RNA) where: Base-Base interactions energy: -12.166 where: short stacking energy: -12.166 Base-Backbone interact. energy: -0.023 local terms energy: -22.013970 where: bonds (distance) C4'-P energy: -5.159 bonds (distance) P-C4' energy: -5.227 flat angles C4'-P-C4' energy: -5.005 flat angles P-C4'-P energy: -3.988 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: 1 ===================================== Write number: 217 Temperature: 1.000000 Total energy: -37.796799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.796799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.796799 (E_RNA) where: Base-Base interactions energy: -14.885 where: short stacking energy: -14.885 Base-Backbone interact. energy: -0.052 local terms energy: -22.859951 where: bonds (distance) C4'-P energy: -3.934 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -5.152 flat angles P-C4'-P energy: -3.169 tors. eta vs tors. theta energy: -4.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 217 Temperature: 1.050000 Total energy: -35.961398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.961398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.961398 (E_RNA) where: Base-Base interactions energy: -16.822 where: short stacking energy: -16.822 Base-Backbone interact. energy: -0.000 local terms energy: -19.138954 where: bonds (distance) C4'-P energy: -3.462 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -5.072 flat angles P-C4'-P energy: -2.928 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: 5 ===================================== Write number: 217 Temperature: 1.100000 Total energy: -28.338069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.338069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.338069 (E_RNA) where: Base-Base interactions energy: -7.434 where: short stacking energy: -7.434 Base-Backbone interact. energy: -0.000 local terms energy: -20.904431 where: bonds (distance) C4'-P energy: -4.219 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.802 flat angles P-C4'-P energy: -2.843 tors. eta vs tors. theta energy: -3.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 217 Temperature: 1.150000 Total energy: -28.773160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.773160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.773160 (E_RNA) where: Base-Base interactions energy: -9.030 where: short stacking energy: -9.030 Base-Backbone interact. energy: -0.001 local terms energy: -19.741940 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -4.621 flat angles C4'-P-C4' energy: -4.903 flat angles P-C4'-P energy: -3.217 tors. eta vs tors. theta energy: -2.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 217 Temperature: 1.200000 Total energy: -29.829612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.829612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.829612 (E_RNA) where: Base-Base interactions energy: -8.645 where: short stacking energy: -8.645 Base-Backbone interact. energy: -0.040 local terms energy: -21.143972 where: bonds (distance) C4'-P energy: -4.227 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -5.555 flat angles P-C4'-P energy: -3.730 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: 8, replica: 7 ===================================== Write number: 217 Temperature: 1.250000 Total energy: -25.834156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.834156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.834156 (E_RNA) where: Base-Base interactions energy: -5.650 where: short stacking energy: -5.650 Base-Backbone interact. energy: -0.000 local terms energy: -20.183659 where: bonds (distance) C4'-P energy: -4.049 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -4.918 flat angles P-C4'-P energy: -3.012 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: 9, replica: 8 ===================================== Write number: 217 Temperature: 1.300000 Total energy: -25.497606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.497606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.497606 (E_RNA) where: Base-Base interactions energy: -11.003 where: short stacking energy: -11.003 Base-Backbone interact. energy: -0.000 local terms energy: -14.494777 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -3.186 flat angles P-C4'-P energy: 0.758 tors. eta vs tors. theta energy: -1.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 217 Temperature: 1.350000 Total energy: -27.509292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.509292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.509292 (E_RNA) where: Base-Base interactions energy: -8.533 where: short stacking energy: -8.533 Base-Backbone interact. energy: -0.000 local terms energy: -18.975951 where: bonds (distance) C4'-P energy: -3.925 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -3.754 flat angles P-C4'-P energy: -2.615 tors. eta vs tors. theta energy: -2.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 218 Temperature: 0.900000 Total energy: -28.447652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.447652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.447652 (E_RNA) where: Base-Base interactions energy: -8.494 where: short stacking energy: -8.494 Base-Backbone interact. energy: -0.081 local terms energy: -19.872703 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -5.286 flat angles C4'-P-C4' energy: -5.454 flat angles P-C4'-P energy: -3.969 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: 2, replica: 6 ===================================== Write number: 218 Temperature: 0.950000 Total energy: -36.113843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.113843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.113843 (E_RNA) where: Base-Base interactions energy: -13.342 where: short stacking energy: -13.342 Base-Backbone interact. energy: -0.003 local terms energy: -22.769585 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.020 flat angles C4'-P-C4' energy: -5.839 flat angles P-C4'-P energy: -2.051 tors. eta vs tors. theta energy: -3.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 218 Temperature: 1.000000 Total energy: -34.924955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.924955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.924955 (E_RNA) where: Base-Base interactions energy: -11.988 where: short stacking energy: -11.988 Base-Backbone interact. energy: -0.000 local terms energy: -22.936763 where: bonds (distance) C4'-P energy: -5.018 bonds (distance) P-C4' energy: -5.547 flat angles C4'-P-C4' energy: -5.594 flat angles P-C4'-P energy: -3.131 tors. eta vs tors. theta energy: -3.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 218 Temperature: 1.050000 Total energy: -31.153235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.153235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.153235 (E_RNA) where: Base-Base interactions energy: -9.383 where: short stacking energy: -9.383 Base-Backbone interact. energy: -0.000 local terms energy: -21.770691 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -4.618 flat angles C4'-P-C4' energy: -5.261 flat angles P-C4'-P energy: -2.969 tors. eta vs tors. theta energy: -3.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 218 Temperature: 1.100000 Total energy: -28.086579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.086579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.086579 (E_RNA) where: Base-Base interactions energy: -6.964 where: short stacking energy: -6.964 Base-Backbone interact. energy: -0.001 local terms energy: -21.121284 where: bonds (distance) C4'-P energy: -3.714 bonds (distance) P-C4' energy: -5.498 flat angles C4'-P-C4' energy: -5.466 flat angles P-C4'-P energy: -3.138 tors. eta vs tors. theta energy: -3.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 218 Temperature: 1.150000 Total energy: -29.619997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.619997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.619997 (E_RNA) where: Base-Base interactions energy: -11.231 where: short stacking energy: -11.231 Base-Backbone interact. energy: -0.388 local terms energy: -18.001208 where: bonds (distance) C4'-P energy: -3.553 bonds (distance) P-C4' energy: -4.875 flat angles C4'-P-C4' energy: -5.185 flat angles P-C4'-P energy: -2.292 tors. eta vs tors. theta energy: -2.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 218 Temperature: 1.200000 Total energy: -26.228955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.228955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.228955 (E_RNA) where: Base-Base interactions energy: -10.893 where: short stacking energy: -10.893 Base-Backbone interact. energy: -0.000 local terms energy: -15.336297 where: bonds (distance) C4'-P energy: -3.305 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -3.579 flat angles P-C4'-P energy: -1.979 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: 8, replica: 4 ===================================== Write number: 218 Temperature: 1.250000 Total energy: -25.092607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.092607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.092607 (E_RNA) where: Base-Base interactions energy: -8.057 where: short stacking energy: -8.057 Base-Backbone interact. energy: -0.000 local terms energy: -17.035460 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -2.882 flat angles P-C4'-P energy: -4.036 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: 9, replica: 3 ===================================== Write number: 218 Temperature: 1.300000 Total energy: -24.266897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.266897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.266897 (E_RNA) where: Base-Base interactions energy: -5.989 where: short stacking energy: -5.989 Base-Backbone interact. energy: -0.078 local terms energy: -18.200144 where: bonds (distance) C4'-P energy: -5.159 bonds (distance) P-C4' energy: -3.638 flat angles C4'-P-C4' energy: -4.091 flat angles P-C4'-P energy: -2.747 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: 10, replica: 8 ===================================== Write number: 218 Temperature: 1.350000 Total energy: -26.320589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.320589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.320589 (E_RNA) where: Base-Base interactions energy: -8.720 where: short stacking energy: -8.720 Base-Backbone interact. energy: -0.000 local terms energy: -17.600133 where: bonds (distance) C4'-P energy: -3.899 bonds (distance) P-C4' energy: -3.987 flat angles C4'-P-C4' energy: -4.603 flat angles P-C4'-P energy: -1.911 tors. eta vs tors. theta energy: -3.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 219 Temperature: 0.900000 Total energy: -40.023976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.023976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.023976 (E_RNA) where: Base-Base interactions energy: -15.682 where: short stacking energy: -15.682 Base-Backbone interact. energy: -0.000 local terms energy: -24.341786 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.105 flat angles P-C4'-P energy: -3.951 tors. eta vs tors. theta energy: -4.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 219 Temperature: 0.950000 Total energy: -30.035727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.035727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.035727 (E_RNA) where: Base-Base interactions energy: -11.130 where: short stacking energy: -11.130 Base-Backbone interact. energy: -0.000 local terms energy: -18.905277 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -5.308 flat angles C4'-P-C4' energy: -4.183 flat angles P-C4'-P energy: -1.998 tors. eta vs tors. theta energy: -2.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 219 Temperature: 1.000000 Total energy: -32.295096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.295096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.295096 (E_RNA) where: Base-Base interactions energy: -12.584 where: short stacking energy: -12.584 Base-Backbone interact. energy: -0.000 local terms energy: -19.710962 where: bonds (distance) C4'-P energy: -4.140 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -3.760 flat angles P-C4'-P energy: -1.763 tors. eta vs tors. theta energy: -4.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 219 Temperature: 1.050000 Total energy: -36.389097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.389097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.389097 (E_RNA) where: Base-Base interactions energy: -13.725 where: short stacking energy: -13.725 Base-Backbone interact. energy: -0.000 local terms energy: -22.663703 where: bonds (distance) C4'-P energy: -4.529 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.627 flat angles P-C4'-P energy: -2.659 tors. eta vs tors. theta energy: -4.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 219 Temperature: 1.100000 Total energy: -29.646518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.646518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.646518 (E_RNA) where: Base-Base interactions energy: -10.491 where: short stacking energy: -10.491 Base-Backbone interact. energy: -0.031 local terms energy: -19.124907 where: bonds (distance) C4'-P energy: -4.219 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.905 flat angles P-C4'-P energy: -3.160 tors. eta vs tors. theta energy: -0.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 219 Temperature: 1.150000 Total energy: -33.814892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.814892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.814892 (E_RNA) where: Base-Base interactions energy: -12.101 where: short stacking energy: -12.101 Base-Backbone interact. energy: -0.004 local terms energy: -21.710025 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -3.075 flat angles C4'-P-C4' energy: -5.456 flat angles P-C4'-P energy: -4.469 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: 7, replica: 5 ===================================== Write number: 219 Temperature: 1.200000 Total energy: -32.358797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.358797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.358797 (E_RNA) where: Base-Base interactions energy: -10.836 where: short stacking energy: -10.836 Base-Backbone interact. energy: -0.000 local terms energy: -21.522733 where: bonds (distance) C4'-P energy: -3.374 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.571 flat angles P-C4'-P energy: -3.573 tors. eta vs tors. theta energy: -2.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 219 Temperature: 1.250000 Total energy: -27.333010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.333010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.333010 (E_RNA) where: Base-Base interactions energy: -8.201 where: short stacking energy: -8.201 Base-Backbone interact. energy: -0.100 local terms energy: -19.031806 where: bonds (distance) C4'-P energy: -4.753 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -5.859 flat angles P-C4'-P energy: -4.061 tors. eta vs tors. theta energy: 0.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 219 Temperature: 1.300000 Total energy: -25.411480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.411480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.411480 (E_RNA) where: Base-Base interactions energy: -8.004 where: short stacking energy: -8.004 Base-Backbone interact. energy: -0.002 local terms energy: -17.405320 where: bonds (distance) C4'-P energy: -4.120 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.433 flat angles P-C4'-P energy: -2.338 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: 10, replica: 8 ===================================== Write number: 219 Temperature: 1.350000 Total energy: -21.710196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.710196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.710196 (E_RNA) where: Base-Base interactions energy: -6.725 where: short stacking energy: -6.725 Base-Backbone interact. energy: -0.007 local terms energy: -14.977498 where: bonds (distance) C4'-P energy: -2.754 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -3.869 flat angles P-C4'-P energy: -2.224 tors. eta vs tors. theta energy: -1.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 220 Temperature: 0.900000 Total energy: -35.484762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.484762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.484762 (E_RNA) where: Base-Base interactions energy: -14.057 where: short stacking energy: -14.057 Base-Backbone interact. energy: -0.000 local terms energy: -21.427985 where: bonds (distance) C4'-P energy: -4.421 bonds (distance) P-C4' energy: -4.203 flat angles C4'-P-C4' energy: -4.955 flat angles P-C4'-P energy: -3.491 tors. eta vs tors. theta energy: -4.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 220 Temperature: 0.950000 Total energy: -31.773139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.773139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.773139 (E_RNA) where: Base-Base interactions energy: -9.086 where: short stacking energy: -9.086 Base-Backbone interact. energy: -0.000 local terms energy: -22.686736 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -5.467 flat angles C4'-P-C4' energy: -5.131 flat angles P-C4'-P energy: -2.877 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: 3, replica: 9 ===================================== Write number: 220 Temperature: 1.000000 Total energy: -34.027893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.027893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.027893 (E_RNA) where: Base-Base interactions energy: -15.165 where: short stacking energy: -15.165 Base-Backbone interact. energy: -0.001 local terms energy: -18.862252 where: bonds (distance) C4'-P energy: -4.600 bonds (distance) P-C4' energy: -3.307 flat angles C4'-P-C4' energy: -3.848 flat angles P-C4'-P energy: -3.055 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: 4, replica: 6 ===================================== Write number: 220 Temperature: 1.050000 Total energy: -35.182439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.182439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.182439 (E_RNA) where: Base-Base interactions energy: -12.879 where: short stacking energy: -12.879 Base-Backbone interact. energy: -0.000 local terms energy: -22.303072 where: bonds (distance) C4'-P energy: -4.111 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -4.005 flat angles P-C4'-P energy: -4.457 tors. eta vs tors. theta energy: -3.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 220 Temperature: 1.100000 Total energy: -29.978322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.978322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.978322 (E_RNA) where: Base-Base interactions energy: -11.003 where: short stacking energy: -11.003 Base-Backbone interact. energy: -0.000 local terms energy: -18.975405 where: bonds (distance) C4'-P energy: -2.890 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.795 flat angles P-C4'-P energy: -3.762 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: 6, replica: 1 ===================================== Write number: 220 Temperature: 1.150000 Total energy: -28.100014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.100014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.100014 (E_RNA) where: Base-Base interactions energy: -7.809 where: short stacking energy: -7.809 Base-Backbone interact. energy: -0.004 local terms energy: -20.287782 where: bonds (distance) C4'-P energy: -3.428 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.818 flat angles P-C4'-P energy: -4.203 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: 7, replica: 3 ===================================== Write number: 220 Temperature: 1.200000 Total energy: -25.341785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.341785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.341785 (E_RNA) where: Base-Base interactions energy: -3.308 where: short stacking energy: -3.308 Base-Backbone interact. energy: -0.061 local terms energy: -21.972887 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -4.281 flat angles P-C4'-P energy: -4.346 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: 8, replica: 5 ===================================== Write number: 220 Temperature: 1.250000 Total energy: -26.099247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.099247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.099247 (E_RNA) where: Base-Base interactions energy: -7.666 where: short stacking energy: -7.666 Base-Backbone interact. energy: -0.000 local terms energy: -18.433214 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -3.740 flat angles P-C4'-P energy: -1.973 tors. eta vs tors. theta energy: -1.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 220 Temperature: 1.300000 Total energy: -29.876720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.876720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.876720 (E_RNA) where: Base-Base interactions energy: -12.045 where: short stacking energy: -12.045 Base-Backbone interact. energy: -0.017 local terms energy: -17.815608 where: bonds (distance) C4'-P energy: -2.410 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -4.393 flat angles P-C4'-P energy: -3.867 tors. eta vs tors. theta energy: -1.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 220 Temperature: 1.350000 Total energy: -29.319003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.319003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.319003 (E_RNA) where: Base-Base interactions energy: -6.745 where: short stacking energy: -6.745 Base-Backbone interact. energy: -0.000 local terms energy: -22.573729 where: bonds (distance) C4'-P energy: -4.778 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.319 flat angles P-C4'-P energy: -3.661 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: 1, replica: 10 ===================================== Write number: 221 Temperature: 0.900000 Total energy: -41.421842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.421842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.421842 (E_RNA) where: Base-Base interactions energy: -16.078 where: short stacking energy: -16.078 Base-Backbone interact. energy: -0.000 local terms energy: -25.343522 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -5.416 flat angles P-C4'-P energy: -4.320 tors. eta vs tors. theta energy: -5.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 221 Temperature: 0.950000 Total energy: -34.196086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.196086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.196086 (E_RNA) where: Base-Base interactions energy: -13.062 where: short stacking energy: -13.062 Base-Backbone interact. energy: -0.076 local terms energy: -21.058141 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -5.667 flat angles P-C4'-P energy: -3.534 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: 3, replica: 2 ===================================== Write number: 221 Temperature: 1.000000 Total energy: -31.751997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.751997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.751997 (E_RNA) where: Base-Base interactions energy: -11.195 where: short stacking energy: -11.195 Base-Backbone interact. energy: -0.005 local terms energy: -20.552062 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -4.738 flat angles P-C4'-P energy: -2.564 tors. eta vs tors. theta energy: -2.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 221 Temperature: 1.050000 Total energy: -37.632343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.632343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.632343 (E_RNA) where: Base-Base interactions energy: -15.113 where: short stacking energy: -15.113 Base-Backbone interact. energy: -0.000 local terms energy: -22.519101 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -3.987 flat angles C4'-P-C4' energy: -4.735 flat angles P-C4'-P energy: -3.162 tors. eta vs tors. theta energy: -5.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 221 Temperature: 1.100000 Total energy: -31.215582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.215582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.215582 (E_RNA) where: Base-Base interactions energy: -12.964 where: short stacking energy: -12.964 Base-Backbone interact. energy: -0.002 local terms energy: -18.250190 where: bonds (distance) C4'-P energy: -4.227 bonds (distance) P-C4' energy: -5.305 flat angles C4'-P-C4' energy: -3.531 flat angles P-C4'-P energy: -2.398 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: 6, replica: 3 ===================================== Write number: 221 Temperature: 1.150000 Total energy: -31.950858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.950858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.950858 (E_RNA) where: Base-Base interactions energy: -8.708 where: short stacking energy: -8.708 Base-Backbone interact. energy: -0.000 local terms energy: -23.242399 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -4.202 flat angles P-C4'-P energy: -2.433 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: 7, replica: 1 ===================================== Write number: 221 Temperature: 1.200000 Total energy: -27.543710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.543710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.543710 (E_RNA) where: Base-Base interactions energy: -9.579 where: short stacking energy: -9.579 Base-Backbone interact. energy: -0.017 local terms energy: -17.947807 where: bonds (distance) C4'-P energy: -1.946 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.880 flat angles P-C4'-P energy: -2.889 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: 8, replica: 8 ===================================== Write number: 221 Temperature: 1.250000 Total energy: -25.589896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.589896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.589896 (E_RNA) where: Base-Base interactions energy: -7.168 where: short stacking energy: -7.168 Base-Backbone interact. energy: -0.075 local terms energy: -18.347601 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -4.832 flat angles C4'-P-C4' energy: -5.309 flat angles P-C4'-P energy: -2.109 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: 9, replica: 5 ===================================== Write number: 221 Temperature: 1.300000 Total energy: -23.214192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.214192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.214192 (E_RNA) where: Base-Base interactions energy: -7.790 where: short stacking energy: -7.790 Base-Backbone interact. energy: -0.088 local terms energy: -15.336139 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.227 flat angles C4'-P-C4' energy: -5.003 flat angles P-C4'-P energy: -0.344 tors. eta vs tors. theta energy: 0.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 221 Temperature: 1.350000 Total energy: -25.861008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.861008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.861008 (E_RNA) where: Base-Base interactions energy: -6.121 where: short stacking energy: -6.121 Base-Backbone interact. energy: -0.003 local terms energy: -19.737453 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -5.566 flat angles C4'-P-C4' energy: -5.093 flat angles P-C4'-P energy: -3.603 tors. eta vs tors. theta energy: -0.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 222 Temperature: 0.900000 Total energy: -38.224922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.224922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.224922 (E_RNA) where: Base-Base interactions energy: -15.633 where: short stacking energy: -15.633 Base-Backbone interact. energy: -0.000 local terms energy: -22.591793 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -3.860 flat angles C4'-P-C4' energy: -5.171 flat angles P-C4'-P energy: -4.524 tors. eta vs tors. theta energy: -4.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 222 Temperature: 0.950000 Total energy: -36.995174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.995174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.995174 (E_RNA) where: Base-Base interactions energy: -16.463 where: short stacking energy: -16.463 Base-Backbone interact. energy: -0.000 local terms energy: -20.532400 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -3.399 flat angles C4'-P-C4' energy: -5.045 flat angles P-C4'-P energy: -4.425 tors. eta vs tors. theta energy: -2.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 222 Temperature: 1.000000 Total energy: -31.268884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.268884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.268884 (E_RNA) where: Base-Base interactions energy: -10.811 where: short stacking energy: -10.811 Base-Backbone interact. energy: -0.002 local terms energy: -20.455721 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -4.727 flat angles P-C4'-P energy: -2.676 tors. eta vs tors. theta energy: -1.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 222 Temperature: 1.050000 Total energy: -30.419573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.419573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.419573 (E_RNA) where: Base-Base interactions energy: -12.859 where: short stacking energy: -12.859 Base-Backbone interact. energy: -0.001 local terms energy: -17.559815 where: bonds (distance) C4'-P energy: -4.245 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.495 flat angles P-C4'-P energy: -2.569 tors. eta vs tors. theta energy: -0.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 222 Temperature: 1.100000 Total energy: -29.194532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.194532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.194532 (E_RNA) where: Base-Base interactions energy: -10.171 where: short stacking energy: -10.171 Base-Backbone interact. energy: -0.000 local terms energy: -19.023328 where: bonds (distance) C4'-P energy: -3.676 bonds (distance) P-C4' energy: -5.047 flat angles C4'-P-C4' energy: -4.893 flat angles P-C4'-P energy: -3.156 tors. eta vs tors. theta energy: -2.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 222 Temperature: 1.150000 Total energy: -25.896302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.896302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.896302 (E_RNA) where: Base-Base interactions energy: -7.704 where: short stacking energy: -7.704 Base-Backbone interact. energy: -0.000 local terms energy: -18.191844 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -3.108 flat angles P-C4'-P energy: -1.743 tors. eta vs tors. theta energy: -2.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 222 Temperature: 1.200000 Total energy: -33.184205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.184205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.184205 (E_RNA) where: Base-Base interactions energy: -12.515 where: short stacking energy: -12.515 Base-Backbone interact. energy: -0.075 local terms energy: -20.593240 where: bonds (distance) C4'-P energy: -4.128 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -4.873 flat angles P-C4'-P energy: -3.412 tors. eta vs tors. theta energy: -2.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 222 Temperature: 1.250000 Total energy: -27.664453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.664453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.664453 (E_RNA) where: Base-Base interactions energy: -5.770 where: short stacking energy: -5.770 Base-Backbone interact. energy: -0.000 local terms energy: -21.894562 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -3.892 flat angles P-C4'-P energy: -2.277 tors. eta vs tors. theta energy: -4.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 222 Temperature: 1.300000 Total energy: -23.890516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.890516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.890516 (E_RNA) where: Base-Base interactions energy: -2.835 where: short stacking energy: -2.835 Base-Backbone interact. energy: -0.136 local terms energy: -20.919843 where: bonds (distance) C4'-P energy: -4.025 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -4.865 flat angles P-C4'-P energy: -4.365 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: 10, replica: 5 ===================================== Write number: 222 Temperature: 1.350000 Total energy: -23.837139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.837139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.837139 (E_RNA) where: Base-Base interactions energy: -5.320 where: short stacking energy: -5.320 Base-Backbone interact. energy: -0.000 local terms energy: -18.516982 where: bonds (distance) C4'-P energy: -3.528 bonds (distance) P-C4' energy: -4.160 flat angles C4'-P-C4' energy: -3.912 flat angles P-C4'-P energy: -4.074 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: 1, replica: 9 ===================================== Write number: 223 Temperature: 0.900000 Total energy: -37.030111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.030111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.030111 (E_RNA) where: Base-Base interactions energy: -14.531 where: short stacking energy: -14.531 Base-Backbone interact. energy: -0.000 local terms energy: -22.498952 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.574 flat angles P-C4'-P energy: -2.467 tors. eta vs tors. theta energy: -4.484 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: 6 ===================================== Write number: 223 Temperature: 0.950000 Total energy: -33.044733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.044733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.044733 (E_RNA) where: Base-Base interactions energy: -12.447 where: short stacking energy: -12.447 Base-Backbone interact. energy: -0.041 local terms energy: -20.557317 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -4.618 flat angles C4'-P-C4' energy: -3.627 flat angles P-C4'-P energy: -3.218 tors. eta vs tors. theta energy: -4.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 223 Temperature: 1.000000 Total energy: -31.850436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.850436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.850436 (E_RNA) where: Base-Base interactions energy: -12.680 where: short stacking energy: -12.680 Base-Backbone interact. energy: -0.005 local terms energy: -19.164607 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -3.638 flat angles P-C4'-P energy: -2.091 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: 4, replica: 2 ===================================== Write number: 223 Temperature: 1.050000 Total energy: -32.730904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.730904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.730904 (E_RNA) where: Base-Base interactions energy: -11.066 where: short stacking energy: -11.066 Base-Backbone interact. energy: -0.000 local terms energy: -21.664726 where: bonds (distance) C4'-P energy: -4.654 bonds (distance) P-C4' energy: -5.566 flat angles C4'-P-C4' energy: -4.184 flat angles P-C4'-P energy: -4.923 tors. eta vs tors. theta energy: -2.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 223 Temperature: 1.100000 Total energy: -30.797375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.797375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.797375 (E_RNA) where: Base-Base interactions energy: -11.564 where: short stacking energy: -11.564 Base-Backbone interact. energy: -0.000 local terms energy: -19.232829 where: bonds (distance) C4'-P energy: -4.235 bonds (distance) P-C4' energy: -4.526 flat angles C4'-P-C4' energy: -3.147 flat angles P-C4'-P energy: -3.728 tors. eta vs tors. theta energy: -3.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 223 Temperature: 1.150000 Total energy: -29.102830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.102830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.102830 (E_RNA) where: Base-Base interactions energy: -11.797 where: short stacking energy: -11.797 Base-Backbone interact. energy: -0.170 local terms energy: -17.135825 where: bonds (distance) C4'-P energy: -4.157 bonds (distance) P-C4' energy: -4.642 flat angles C4'-P-C4' energy: -4.400 flat angles P-C4'-P energy: -3.516 tors. eta vs tors. theta energy: -0.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 223 Temperature: 1.200000 Total energy: -26.530652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.530652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.530652 (E_RNA) where: Base-Base interactions energy: -10.426 where: short stacking energy: -10.426 Base-Backbone interact. energy: -0.001 local terms energy: -16.104165 where: bonds (distance) C4'-P energy: -3.251 bonds (distance) P-C4' energy: -3.041 flat angles C4'-P-C4' energy: -5.236 flat angles P-C4'-P energy: -3.670 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: 8, replica: 4 ===================================== Write number: 223 Temperature: 1.250000 Total energy: -25.911061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.911061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.911061 (E_RNA) where: Base-Base interactions energy: -10.128 where: short stacking energy: -10.128 Base-Backbone interact. energy: -0.000 local terms energy: -15.782926 where: bonds (distance) C4'-P energy: -2.100 bonds (distance) P-C4' energy: -5.234 flat angles C4'-P-C4' energy: -4.776 flat angles P-C4'-P energy: -2.462 tors. eta vs tors. theta energy: -1.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 223 Temperature: 1.300000 Total energy: -27.743336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.743336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.743336 (E_RNA) where: Base-Base interactions energy: -8.315 where: short stacking energy: -8.315 Base-Backbone interact. energy: -0.000 local terms energy: -19.427766 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -3.943 flat angles P-C4'-P energy: -2.848 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: 5 ===================================== Write number: 223 Temperature: 1.350000 Total energy: -24.707239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.707239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.707239 (E_RNA) where: Base-Base interactions energy: -8.197 where: short stacking energy: -8.197 Base-Backbone interact. energy: -0.000 local terms energy: -16.510695 where: bonds (distance) C4'-P energy: -5.089 bonds (distance) P-C4' energy: -1.536 flat angles C4'-P-C4' energy: -4.819 flat angles P-C4'-P energy: -2.820 tors. eta vs tors. theta energy: -2.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 224 Temperature: 0.900000 Total energy: -35.013997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.013997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.013997 (E_RNA) where: Base-Base interactions energy: -14.943 where: short stacking energy: -14.943 Base-Backbone interact. energy: -0.000 local terms energy: -20.070994 where: bonds (distance) C4'-P energy: -3.909 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -2.762 flat angles P-C4'-P energy: -3.102 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: 2, replica: 9 ===================================== Write number: 224 Temperature: 0.950000 Total energy: -33.910129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.910129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.910129 (E_RNA) where: Base-Base interactions energy: -11.459 where: short stacking energy: -11.459 Base-Backbone interact. energy: -0.078 local terms energy: -22.373163 where: bonds (distance) C4'-P energy: -2.977 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -5.112 flat angles P-C4'-P energy: -4.455 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: 3, replica: 2 ===================================== Write number: 224 Temperature: 1.000000 Total energy: -34.771016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.771016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.771016 (E_RNA) where: Base-Base interactions energy: -12.017 where: short stacking energy: -12.017 Base-Backbone interact. energy: -0.000 local terms energy: -22.753519 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -4.702 flat angles C4'-P-C4' energy: -4.396 flat angles P-C4'-P energy: -3.775 tors. eta vs tors. theta energy: -4.497 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: 4, replica: 10 ===================================== Write number: 224 Temperature: 1.050000 Total energy: -36.589844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.589844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.589844 (E_RNA) where: Base-Base interactions energy: -16.836 where: short stacking energy: -16.836 Base-Backbone interact. energy: -0.000 local terms energy: -19.753463 where: bonds (distance) C4'-P energy: -4.725 bonds (distance) P-C4' energy: -5.494 flat angles C4'-P-C4' energy: -4.838 flat angles P-C4'-P energy: -3.168 tors. eta vs tors. theta energy: -1.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 224 Temperature: 1.100000 Total energy: -30.533123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.533123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.533123 (E_RNA) where: Base-Base interactions energy: -10.457 where: short stacking energy: -10.457 Base-Backbone interact. energy: -0.000 local terms energy: -20.075883 where: bonds (distance) C4'-P energy: -4.786 bonds (distance) P-C4' energy: -5.258 flat angles C4'-P-C4' energy: -4.662 flat angles P-C4'-P energy: -3.842 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: 224 Temperature: 1.150000 Total energy: -29.730778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.730778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.730778 (E_RNA) where: Base-Base interactions energy: -10.305 where: short stacking energy: -10.305 Base-Backbone interact. energy: -0.012 local terms energy: -19.413487 where: bonds (distance) C4'-P energy: -4.778 bonds (distance) P-C4' energy: -4.522 flat angles C4'-P-C4' energy: -4.126 flat angles P-C4'-P energy: -2.921 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: 7, replica: 4 ===================================== Write number: 224 Temperature: 1.200000 Total energy: -27.747025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.747025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.747025 (E_RNA) where: Base-Base interactions energy: -8.403 where: short stacking energy: -8.403 Base-Backbone interact. energy: -0.001 local terms energy: -19.342719 where: bonds (distance) C4'-P energy: -5.391 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -4.721 flat angles P-C4'-P energy: -2.996 tors. eta vs tors. theta energy: -0.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 224 Temperature: 1.250000 Total energy: -26.274246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.274246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.274246 (E_RNA) where: Base-Base interactions energy: -7.067 where: short stacking energy: -7.067 Base-Backbone interact. energy: -0.099 local terms energy: -19.108145 where: bonds (distance) C4'-P energy: -4.529 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -3.129 flat angles P-C4'-P energy: -3.306 tors. eta vs tors. theta energy: -2.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 224 Temperature: 1.300000 Total energy: -26.458642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.458642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.458642 (E_RNA) where: Base-Base interactions energy: -4.425 where: short stacking energy: -4.425 Base-Backbone interact. energy: -0.000 local terms energy: -22.033605 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -5.333 flat angles C4'-P-C4' energy: -5.103 flat angles P-C4'-P energy: -3.910 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: 10, replica: 1 ===================================== Write number: 224 Temperature: 1.350000 Total energy: -24.624430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.624430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.624430 (E_RNA) where: Base-Base interactions energy: -5.704 where: short stacking energy: -5.704 Base-Backbone interact. energy: -0.052 local terms energy: -18.869086 where: bonds (distance) C4'-P energy: -3.818 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.168 flat angles P-C4'-P energy: -4.361 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: 6 ===================================== Write number: 225 Temperature: 0.900000 Total energy: -39.857111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.857111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.857111 (E_RNA) where: Base-Base interactions energy: -15.510 where: short stacking energy: -15.510 Base-Backbone interact. energy: -0.000 local terms energy: -24.347479 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -5.221 flat angles P-C4'-P energy: -3.647 tors. eta vs tors. theta energy: -4.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 225 Temperature: 0.950000 Total energy: -33.206410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.206410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.206410 (E_RNA) where: Base-Base interactions energy: -12.964 where: short stacking energy: -12.964 Base-Backbone interact. energy: -0.153 local terms energy: -20.089489 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -5.333 flat angles C4'-P-C4' energy: -4.001 flat angles P-C4'-P energy: -4.453 tors. eta vs tors. theta energy: -0.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 225 Temperature: 1.000000 Total energy: -31.417493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.417493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.417493 (E_RNA) where: Base-Base interactions energy: -11.525 where: short stacking energy: -11.525 Base-Backbone interact. energy: -0.000 local terms energy: -19.892581 where: bonds (distance) C4'-P energy: -4.609 bonds (distance) P-C4' energy: -4.473 flat angles C4'-P-C4' energy: -5.290 flat angles P-C4'-P energy: -3.477 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: 4, replica: 10 ===================================== Write number: 225 Temperature: 1.050000 Total energy: -28.650473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.650473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.650473 (E_RNA) where: Base-Base interactions energy: -11.419 where: short stacking energy: -11.419 Base-Backbone interact. energy: -0.000 local terms energy: -17.231175 where: bonds (distance) C4'-P energy: -3.126 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -3.409 flat angles P-C4'-P energy: -4.332 tors. eta vs tors. theta energy: -0.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 225 Temperature: 1.100000 Total energy: -29.047039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.047039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.047039 (E_RNA) where: Base-Base interactions energy: -11.231 where: short stacking energy: -11.231 Base-Backbone interact. energy: -0.002 local terms energy: -17.814436 where: bonds (distance) C4'-P energy: -2.497 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -2.584 flat angles P-C4'-P energy: -3.309 tors. eta vs tors. theta energy: -4.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 225 Temperature: 1.150000 Total energy: -29.990235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.990235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.990235 (E_RNA) where: Base-Base interactions energy: -11.053 where: short stacking energy: -11.053 Base-Backbone interact. energy: -0.006 local terms energy: -18.930417 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.869 flat angles P-C4'-P energy: -3.363 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: 3 ===================================== Write number: 225 Temperature: 1.200000 Total energy: -28.529600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.529600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.529600 (E_RNA) where: Base-Base interactions energy: -8.706 where: short stacking energy: -8.706 Base-Backbone interact. energy: -0.000 local terms energy: -19.823241 where: bonds (distance) C4'-P energy: -4.529 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -5.365 flat angles P-C4'-P energy: -3.732 tors. eta vs tors. theta energy: -0.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 225 Temperature: 1.250000 Total energy: -24.339485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.339485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.339485 (E_RNA) where: Base-Base interactions energy: -5.683 where: short stacking energy: -5.683 Base-Backbone interact. energy: -0.099 local terms energy: -18.557619 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -3.126 flat angles P-C4'-P energy: -3.903 tors. eta vs tors. theta energy: -0.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 225 Temperature: 1.300000 Total energy: -27.202193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.202193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.202193 (E_RNA) where: Base-Base interactions energy: -7.170 where: short stacking energy: -7.170 Base-Backbone interact. energy: -0.055 local terms energy: -19.976859 where: bonds (distance) C4'-P energy: -4.219 bonds (distance) P-C4' energy: -5.305 flat angles C4'-P-C4' energy: -5.183 flat angles P-C4'-P energy: -4.033 tors. eta vs tors. theta energy: -1.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 225 Temperature: 1.350000 Total energy: -22.791173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.791173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.791173 (E_RNA) where: Base-Base interactions energy: -4.117 where: short stacking energy: -4.117 Base-Backbone interact. energy: -0.003 local terms energy: -18.670715 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -2.609 flat angles P-C4'-P energy: -4.087 tors. eta vs tors. theta energy: -0.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 226 Temperature: 0.900000 Total energy: -33.330756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.330756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.330756 (E_RNA) where: Base-Base interactions energy: -10.615 where: short stacking energy: -10.615 Base-Backbone interact. energy: -0.181 local terms energy: -22.534451 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -5.283 flat angles P-C4'-P energy: -3.771 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: 6 ===================================== Write number: 226 Temperature: 0.950000 Total energy: -33.062969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.062969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.062969 (E_RNA) where: Base-Base interactions energy: -10.969 where: short stacking energy: -10.969 Base-Backbone interact. energy: -0.000 local terms energy: -22.093892 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.208 flat angles C4'-P-C4' energy: -5.552 flat angles P-C4'-P energy: -3.401 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: 3, replica: 10 ===================================== Write number: 226 Temperature: 1.000000 Total energy: -31.831168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.831168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.831168 (E_RNA) where: Base-Base interactions energy: -11.396 where: short stacking energy: -11.396 Base-Backbone interact. energy: -0.000 local terms energy: -20.435452 where: bonds (distance) C4'-P energy: -4.385 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.464 flat angles P-C4'-P energy: -1.199 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: 4, replica: 9 ===================================== Write number: 226 Temperature: 1.050000 Total energy: -29.744621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.744621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.744621 (E_RNA) where: Base-Base interactions energy: -8.134 where: short stacking energy: -8.134 Base-Backbone interact. energy: -0.010 local terms energy: -21.599909 where: bonds (distance) C4'-P energy: -4.654 bonds (distance) P-C4' energy: -5.783 flat angles C4'-P-C4' energy: -5.360 flat angles P-C4'-P energy: -3.451 tors. eta vs tors. theta energy: -2.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 226 Temperature: 1.100000 Total energy: -29.527481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.527481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.527481 (E_RNA) where: Base-Base interactions energy: -8.563 where: short stacking energy: -8.563 Base-Backbone interact. energy: -0.096 local terms energy: -20.868425 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -5.147 flat angles P-C4'-P energy: -3.609 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: 6, replica: 8 ===================================== Write number: 226 Temperature: 1.150000 Total energy: -26.565072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.565072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.565072 (E_RNA) where: Base-Base interactions energy: -7.447 where: short stacking energy: -7.447 Base-Backbone interact. energy: -0.100 local terms energy: -19.017870 where: bonds (distance) C4'-P energy: -4.981 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.678 flat angles P-C4'-P energy: -1.651 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: 7, replica: 5 ===================================== Write number: 226 Temperature: 1.200000 Total energy: -26.397533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.397533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.397533 (E_RNA) where: Base-Base interactions energy: -10.834 where: short stacking energy: -10.834 Base-Backbone interact. energy: -0.000 local terms energy: -15.563070 where: bonds (distance) C4'-P energy: -1.971 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -3.879 flat angles P-C4'-P energy: -3.382 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: 8, replica: 3 ===================================== Write number: 226 Temperature: 1.250000 Total energy: -23.861724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.861724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.861724 (E_RNA) where: Base-Base interactions energy: -6.618 where: short stacking energy: -6.618 Base-Backbone interact. energy: -0.301 local terms energy: -16.942342 where: bonds (distance) C4'-P energy: -4.555 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -3.668 flat angles P-C4'-P energy: -2.525 tors. eta vs tors. theta energy: -1.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 226 Temperature: 1.300000 Total energy: -27.120445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.120445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.120445 (E_RNA) where: Base-Base interactions energy: -10.038 where: short stacking energy: -10.038 Base-Backbone interact. energy: 3.670 local terms energy: -20.752380 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -2.547 flat angles P-C4'-P energy: -4.171 tors. eta vs tors. theta energy: -2.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 226 Temperature: 1.350000 Total energy: -24.707917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.707917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.707917 (E_RNA) where: Base-Base interactions energy: -3.216 where: short stacking energy: -3.216 Base-Backbone interact. energy: -0.100 local terms energy: -21.392227 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.329 flat angles P-C4'-P energy: -4.022 tors. eta vs tors. theta energy: -2.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 227 Temperature: 0.900000 Total energy: -33.258230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.258230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.258230 (E_RNA) where: Base-Base interactions energy: -12.296 where: short stacking energy: -12.296 Base-Backbone interact. energy: -0.000 local terms energy: -20.962428 where: bonds (distance) C4'-P energy: -4.261 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -5.067 flat angles P-C4'-P energy: -3.677 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: 10 ===================================== Write number: 227 Temperature: 0.950000 Total energy: -34.476706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.476706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.476706 (E_RNA) where: Base-Base interactions energy: -14.463 where: short stacking energy: -14.463 Base-Backbone interact. energy: -0.000 local terms energy: -20.013675 where: bonds (distance) C4'-P energy: -3.668 bonds (distance) P-C4' energy: -4.455 flat angles C4'-P-C4' energy: -3.387 flat angles P-C4'-P energy: -4.202 tors. eta vs tors. theta energy: -4.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 227 Temperature: 1.000000 Total energy: -35.163020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.163020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.163020 (E_RNA) where: Base-Base interactions energy: -14.008 where: short stacking energy: -14.008 Base-Backbone interact. energy: -0.000 local terms energy: -21.155443 where: bonds (distance) C4'-P energy: -4.016 bonds (distance) P-C4' energy: -5.305 flat angles C4'-P-C4' energy: -5.241 flat angles P-C4'-P energy: -2.990 tors. eta vs tors. theta energy: -3.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 227 Temperature: 1.050000 Total energy: -29.950589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.950589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.950589 (E_RNA) where: Base-Base interactions energy: -12.283 where: short stacking energy: -12.283 Base-Backbone interact. energy: -0.052 local terms energy: -17.615435 where: bonds (distance) C4'-P energy: -3.056 bonds (distance) P-C4' energy: -3.307 flat angles C4'-P-C4' energy: -3.783 flat angles P-C4'-P energy: -3.522 tors. eta vs tors. theta energy: -3.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 227 Temperature: 1.100000 Total energy: -27.333089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.333089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.333089 (E_RNA) where: Base-Base interactions energy: -8.005 where: short stacking energy: -8.005 Base-Backbone interact. energy: -0.073 local terms energy: -19.255067 where: bonds (distance) C4'-P energy: -4.335 bonds (distance) P-C4' energy: -5.237 flat angles C4'-P-C4' energy: -3.810 flat angles P-C4'-P energy: -3.946 tors. eta vs tors. theta energy: -1.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 227 Temperature: 1.150000 Total energy: -31.345324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.345324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.345324 (E_RNA) where: Base-Base interactions energy: -10.224 where: short stacking energy: -10.224 Base-Backbone interact. energy: -0.089 local terms energy: -21.032362 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.132 flat angles P-C4'-P energy: -4.058 tors. eta vs tors. theta energy: -1.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 227 Temperature: 1.200000 Total energy: -29.105627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.105627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.105627 (E_RNA) where: Base-Base interactions energy: -7.808 where: short stacking energy: -7.808 Base-Backbone interact. energy: -0.107 local terms energy: -21.190590 where: bonds (distance) C4'-P energy: -4.413 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.575 flat angles P-C4'-P energy: -3.282 tors. eta vs tors. theta energy: -2.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 227 Temperature: 1.250000 Total energy: -31.985313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.985313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.985313 (E_RNA) where: Base-Base interactions energy: -11.706 where: short stacking energy: -11.706 Base-Backbone interact. energy: -0.000 local terms energy: -20.278626 where: bonds (distance) C4'-P energy: -3.930 bonds (distance) P-C4' energy: -5.314 flat angles C4'-P-C4' energy: -4.162 flat angles P-C4'-P energy: -2.508 tors. eta vs tors. theta energy: -4.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 227 Temperature: 1.300000 Total energy: -26.825338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.825338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.825338 (E_RNA) where: Base-Base interactions energy: -7.418 where: short stacking energy: -7.418 Base-Backbone interact. energy: -0.051 local terms energy: -19.356377 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -4.357 flat angles C4'-P-C4' energy: -4.218 flat angles P-C4'-P energy: -3.092 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: 10, replica: 7 ===================================== Write number: 227 Temperature: 1.350000 Total energy: -20.953109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.953109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.953109 (E_RNA) where: Base-Base interactions energy: -3.912 where: short stacking energy: -3.912 Base-Backbone interact. energy: -0.014 local terms energy: -17.026479 where: bonds (distance) C4'-P energy: -4.628 bonds (distance) P-C4' energy: -3.374 flat angles C4'-P-C4' energy: -5.465 flat angles P-C4'-P energy: -4.048 tors. eta vs tors. theta energy: 0.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 228 Temperature: 0.900000 Total energy: -32.844092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.844092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.844092 (E_RNA) where: Base-Base interactions energy: -10.726 where: short stacking energy: -10.726 Base-Backbone interact. energy: -0.004 local terms energy: -22.114093 where: bonds (distance) C4'-P energy: -4.235 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -4.753 flat angles P-C4'-P energy: -3.119 tors. eta vs tors. theta energy: -4.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 228 Temperature: 0.950000 Total energy: -32.964424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.964424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.964424 (E_RNA) where: Base-Base interactions energy: -14.589 where: short stacking energy: -14.589 Base-Backbone interact. energy: -0.001 local terms energy: -18.375377 where: bonds (distance) C4'-P energy: -2.124 bonds (distance) P-C4' energy: -5.547 flat angles C4'-P-C4' energy: -4.637 flat angles P-C4'-P energy: -1.118 tors. eta vs tors. theta energy: -4.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 228 Temperature: 1.000000 Total energy: -34.800937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.800937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.800937 (E_RNA) where: Base-Base interactions energy: -14.219 where: short stacking energy: -14.219 Base-Backbone interact. energy: -0.000 local terms energy: -20.582008 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -5.470 flat angles C4'-P-C4' energy: -3.119 flat angles P-C4'-P energy: -2.676 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: 4, replica: 6 ===================================== Write number: 228 Temperature: 1.050000 Total energy: -27.370265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.370265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.370265 (E_RNA) where: Base-Base interactions energy: -9.028 where: short stacking energy: -9.028 Base-Backbone interact. energy: -0.007 local terms energy: -18.335188 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.272 flat angles P-C4'-P energy: -2.681 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: 5, replica: 5 ===================================== Write number: 228 Temperature: 1.100000 Total energy: -29.573041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.573041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.573041 (E_RNA) where: Base-Base interactions energy: -8.751 where: short stacking energy: -8.751 Base-Backbone interact. energy: -0.000 local terms energy: -20.821857 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -4.570 flat angles P-C4'-P energy: -4.053 tors. eta vs tors. theta energy: -2.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 228 Temperature: 1.150000 Total energy: -26.353693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.353693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.353693 (E_RNA) where: Base-Base interactions energy: -9.435 where: short stacking energy: -8.557 Base-Backbone interact. energy: -0.126 local terms energy: -16.792989 where: bonds (distance) C4'-P energy: -4.219 bonds (distance) P-C4' energy: -5.516 flat angles C4'-P-C4' energy: -4.377 flat angles P-C4'-P energy: -3.649 tors. eta vs tors. theta energy: 0.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 228 Temperature: 1.200000 Total energy: -32.120545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.120545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.120545 (E_RNA) where: Base-Base interactions energy: -10.590 where: short stacking energy: -10.590 Base-Backbone interact. energy: -0.006 local terms energy: -21.524532 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -5.518 flat angles P-C4'-P energy: -3.287 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: 1 ===================================== Write number: 228 Temperature: 1.250000 Total energy: -27.144776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.144776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.144776 (E_RNA) where: Base-Base interactions energy: -6.524 where: short stacking energy: -6.524 Base-Backbone interact. energy: -0.000 local terms energy: -20.620271 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -4.688 flat angles C4'-P-C4' energy: -4.832 flat angles P-C4'-P energy: -3.934 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: 9, replica: 7 ===================================== Write number: 228 Temperature: 1.300000 Total energy: -25.021839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.021839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.021839 (E_RNA) where: Base-Base interactions energy: -5.012 where: short stacking energy: -5.012 Base-Backbone interact. energy: -0.000 local terms energy: -20.009875 where: bonds (distance) C4'-P energy: -4.725 bonds (distance) P-C4' energy: -5.231 flat angles C4'-P-C4' energy: -5.271 flat angles P-C4'-P energy: -2.956 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: 10, replica: 3 ===================================== Write number: 228 Temperature: 1.350000 Total energy: -21.741658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.741658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.741658 (E_RNA) where: Base-Base interactions energy: -6.710 where: short stacking energy: -6.710 Base-Backbone interact. energy: -0.035 local terms energy: -14.996826 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -4.255 flat angles C4'-P-C4' energy: -2.408 flat angles P-C4'-P energy: -3.026 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: 1, replica: 2 ===================================== Write number: 229 Temperature: 0.900000 Total energy: -36.624217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.624217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.624217 (E_RNA) where: Base-Base interactions energy: -15.138 where: short stacking energy: -15.138 Base-Backbone interact. energy: -0.000 local terms energy: -21.486412 where: bonds (distance) C4'-P energy: -4.529 bonds (distance) P-C4' energy: -4.879 flat angles C4'-P-C4' energy: -4.904 flat angles P-C4'-P energy: -2.572 tors. eta vs tors. theta energy: -4.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 229 Temperature: 0.950000 Total energy: -37.285321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.285321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.285321 (E_RNA) where: Base-Base interactions energy: -14.172 where: short stacking energy: -14.172 Base-Backbone interact. energy: -0.000 local terms energy: -23.113394 where: bonds (distance) C4'-P energy: -4.753 bonds (distance) P-C4' energy: -4.875 flat angles C4'-P-C4' energy: -4.489 flat angles P-C4'-P energy: -4.809 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: 3, replica: 10 ===================================== Write number: 229 Temperature: 1.000000 Total energy: -28.441473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.441473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.441473 (E_RNA) where: Base-Base interactions energy: -8.952 where: short stacking energy: -8.952 Base-Backbone interact. energy: -0.095 local terms energy: -19.394969 where: bonds (distance) C4'-P energy: -4.057 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -5.085 flat angles P-C4'-P energy: -3.547 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: 4, replica: 5 ===================================== Write number: 229 Temperature: 1.050000 Total energy: -30.088655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.088655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.088655 (E_RNA) where: Base-Base interactions energy: -8.494 where: short stacking energy: -8.494 Base-Backbone interact. energy: -0.000 local terms energy: -21.594126 where: bonds (distance) C4'-P energy: -4.645 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -5.819 flat angles P-C4'-P energy: -3.515 tors. eta vs tors. theta energy: -2.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 229 Temperature: 1.100000 Total energy: -36.804886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.804886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.804886 (E_RNA) where: Base-Base interactions energy: -14.797 where: short stacking energy: -14.797 Base-Backbone interact. energy: -0.000 local terms energy: -22.008014 where: bonds (distance) C4'-P energy: -4.513 bonds (distance) P-C4' energy: -5.072 flat angles C4'-P-C4' energy: -5.381 flat angles P-C4'-P energy: -3.690 tors. eta vs tors. theta energy: -3.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 229 Temperature: 1.150000 Total energy: -30.423098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.423098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.423098 (E_RNA) where: Base-Base interactions energy: -14.128 where: short stacking energy: -14.128 Base-Backbone interact. energy: -0.073 local terms energy: -16.221619 where: bonds (distance) C4'-P energy: -2.985 bonds (distance) P-C4' energy: -4.807 flat angles C4'-P-C4' energy: -4.035 flat angles P-C4'-P energy: -3.077 tors. eta vs tors. theta energy: -1.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 229 Temperature: 1.200000 Total energy: -23.728929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.728929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.728929 (E_RNA) where: Base-Base interactions energy: -9.550 where: short stacking energy: -9.550 Base-Backbone interact. energy: -0.003 local terms energy: -14.175366 where: bonds (distance) C4'-P energy: -2.700 bonds (distance) P-C4' energy: -2.587 flat angles C4'-P-C4' energy: -4.028 flat angles P-C4'-P energy: -2.894 tors. eta vs tors. theta energy: -1.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 229 Temperature: 1.250000 Total energy: -26.531868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.531868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.531868 (E_RNA) where: Base-Base interactions energy: -7.697 where: short stacking energy: -7.697 Base-Backbone interact. energy: -0.000 local terms energy: -18.834196 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -4.252 flat angles P-C4'-P energy: -2.299 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: 1 ===================================== Write number: 229 Temperature: 1.300000 Total energy: -26.672774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.672774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.672774 (E_RNA) where: Base-Base interactions energy: -10.999 where: short stacking energy: -10.999 Base-Backbone interact. energy: -0.001 local terms energy: -15.673022 where: bonds (distance) C4'-P energy: -4.413 bonds (distance) P-C4' energy: -3.264 flat angles C4'-P-C4' energy: -5.474 flat angles P-C4'-P energy: 0.629 tors. eta vs tors. theta energy: -3.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 229 Temperature: 1.350000 Total energy: -26.958399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.958399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.958399 (E_RNA) where: Base-Base interactions energy: -7.483 where: short stacking energy: -7.483 Base-Backbone interact. energy: -0.074 local terms energy: -19.401188 where: bonds (distance) C4'-P energy: -4.323 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -2.746 flat angles P-C4'-P energy: -3.223 tors. eta vs tors. theta energy: -3.100 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: 2 ===================================== Write number: 230 Temperature: 0.900000 Total energy: -40.366386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.366386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.366386 (E_RNA) where: Base-Base interactions energy: -15.064 where: short stacking energy: -15.064 Base-Backbone interact. energy: -0.000 local terms energy: -25.302687 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -4.956 flat angles P-C4'-P energy: -2.930 tors. eta vs tors. theta energy: -5.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 230 Temperature: 0.950000 Total energy: -32.397893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.397893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.397893 (E_RNA) where: Base-Base interactions energy: -11.744 where: short stacking energy: -11.744 Base-Backbone interact. energy: -0.000 local terms energy: -20.652970 where: bonds (distance) C4'-P energy: -3.002 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.437 flat angles P-C4'-P energy: -4.279 tors. eta vs tors. theta energy: -1.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 230 Temperature: 1.000000 Total energy: -32.952217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.952217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.952217 (E_RNA) where: Base-Base interactions energy: -9.511 where: short stacking energy: -9.511 Base-Backbone interact. energy: -0.000 local terms energy: -23.441384 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.730 flat angles C4'-P-C4' energy: -4.445 flat angles P-C4'-P energy: -3.907 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: 4, replica: 10 ===================================== Write number: 230 Temperature: 1.050000 Total energy: -27.088296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.088296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.088296 (E_RNA) where: Base-Base interactions energy: -8.209 where: short stacking energy: -8.209 Base-Backbone interact. energy: -0.161 local terms energy: -18.717974 where: bonds (distance) C4'-P energy: -5.196 bonds (distance) P-C4' energy: -4.780 flat angles C4'-P-C4' energy: -4.428 flat angles P-C4'-P energy: -4.498 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: 5, replica: 8 ===================================== Write number: 230 Temperature: 1.100000 Total energy: -29.450398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.450398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.450398 (E_RNA) where: Base-Base interactions energy: -10.571 where: short stacking energy: -10.571 Base-Backbone interact. energy: -0.004 local terms energy: -18.875956 where: bonds (distance) C4'-P energy: -5.018 bonds (distance) P-C4' energy: -5.783 flat angles C4'-P-C4' energy: -2.683 flat angles P-C4'-P energy: -4.105 tors. eta vs tors. theta energy: -1.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 230 Temperature: 1.150000 Total energy: -31.922841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.922841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.922841 (E_RNA) where: Base-Base interactions energy: -12.689 where: short stacking energy: -12.689 Base-Backbone interact. energy: -0.053 local terms energy: -19.180988 where: bonds (distance) C4'-P energy: -4.537 bonds (distance) P-C4' energy: -5.050 flat angles C4'-P-C4' energy: -4.395 flat angles P-C4'-P energy: -2.707 tors. eta vs tors. theta energy: -2.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 230 Temperature: 1.200000 Total energy: -25.533657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.533657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.533657 (E_RNA) where: Base-Base interactions energy: -5.762 where: short stacking energy: -5.762 Base-Backbone interact. energy: -0.015 local terms energy: -19.757517 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.547 flat angles C4'-P-C4' energy: -5.241 flat angles P-C4'-P energy: -3.655 tors. eta vs tors. theta energy: 0.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 230 Temperature: 1.250000 Total energy: -32.556985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.556985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.556985 (E_RNA) where: Base-Base interactions energy: -11.137 where: short stacking energy: -11.137 Base-Backbone interact. energy: -0.000 local terms energy: -21.419533 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -4.706 flat angles C4'-P-C4' energy: -4.635 flat angles P-C4'-P energy: -3.126 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: 9, replica: 3 ===================================== Write number: 230 Temperature: 1.300000 Total energy: -27.879257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.879257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.879257 (E_RNA) where: Base-Base interactions energy: -7.480 where: short stacking energy: -7.480 Base-Backbone interact. energy: -0.049 local terms energy: -20.350322 where: bonds (distance) C4'-P energy: -5.089 bonds (distance) P-C4' energy: -4.681 flat angles C4'-P-C4' energy: -5.052 flat angles P-C4'-P energy: -3.298 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: 10, replica: 1 ===================================== Write number: 230 Temperature: 1.350000 Total energy: -23.781285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.781285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.781285 (E_RNA) where: Base-Base interactions energy: -4.108 where: short stacking energy: -4.108 Base-Backbone interact. energy: -0.001 local terms energy: -19.672594 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -4.255 flat angles C4'-P-C4' energy: -4.253 flat angles P-C4'-P energy: -3.125 tors. eta vs tors. theta energy: -2.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 231 Temperature: 0.900000 Total energy: -37.566499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.566499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.566499 (E_RNA) where: Base-Base interactions energy: -14.878 where: short stacking energy: -14.878 Base-Backbone interact. energy: -0.025 local terms energy: -22.663425 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -4.426 flat angles P-C4'-P energy: -4.166 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: 2, replica: 5 ===================================== Write number: 231 Temperature: 0.950000 Total energy: -37.031037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.031037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.031037 (E_RNA) where: Base-Base interactions energy: -14.873 where: short stacking energy: -14.873 Base-Backbone interact. energy: -0.043 local terms energy: -22.114336 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -3.792 flat angles P-C4'-P energy: -3.754 tors. eta vs tors. theta energy: -3.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 231 Temperature: 1.000000 Total energy: -31.279953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.279953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.279953 (E_RNA) where: Base-Base interactions energy: -11.564 where: short stacking energy: -11.564 Base-Backbone interact. energy: -0.040 local terms energy: -19.675544 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.724 flat angles C4'-P-C4' energy: -4.511 flat angles P-C4'-P energy: -1.121 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: 4, replica: 8 ===================================== Write number: 231 Temperature: 1.050000 Total energy: -30.325844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.325844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.325844 (E_RNA) where: Base-Base interactions energy: -11.168 where: short stacking energy: -11.168 Base-Backbone interact. energy: -0.000 local terms energy: -19.157467 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -4.976 flat angles C4'-P-C4' energy: -4.845 flat angles P-C4'-P energy: -2.468 tors. eta vs tors. theta energy: -1.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 231 Temperature: 1.100000 Total energy: -24.849534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.849534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.849534 (E_RNA) where: Base-Base interactions energy: -7.115 where: short stacking energy: -7.274 Base-Backbone interact. energy: -0.087 local terms energy: -17.648098 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -4.252 flat angles C4'-P-C4' energy: -4.342 flat angles P-C4'-P energy: -4.294 tors. eta vs tors. theta energy: 0.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 231 Temperature: 1.150000 Total energy: -28.431124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.431124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.431124 (E_RNA) where: Base-Base interactions energy: -8.791 where: short stacking energy: -8.791 Base-Backbone interact. energy: -0.028 local terms energy: -19.612063 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -3.532 flat angles C4'-P-C4' energy: -5.094 flat angles P-C4'-P energy: -3.711 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: 6 ===================================== Write number: 231 Temperature: 1.200000 Total energy: -25.419511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.419511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.419511 (E_RNA) where: Base-Base interactions energy: -8.139 where: short stacking energy: -8.139 Base-Backbone interact. energy: -0.000 local terms energy: -17.280020 where: bonds (distance) C4'-P energy: -1.069 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -4.691 flat angles P-C4'-P energy: -4.066 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: 8, replica: 3 ===================================== Write number: 231 Temperature: 1.250000 Total energy: -26.202712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.202712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.202712 (E_RNA) where: Base-Base interactions energy: -6.764 where: short stacking energy: -6.764 Base-Backbone interact. energy: -0.000 local terms energy: -19.438512 where: bonds (distance) C4'-P energy: -5.188 bonds (distance) P-C4' energy: -4.618 flat angles C4'-P-C4' energy: -5.641 flat angles P-C4'-P energy: -0.600 tors. eta vs tors. theta energy: -3.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 231 Temperature: 1.300000 Total energy: -26.366816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.366816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.366816 (E_RNA) where: Base-Base interactions energy: -9.740 where: short stacking energy: -9.740 Base-Backbone interact. energy: -0.000 local terms energy: -16.627222 where: bonds (distance) C4'-P energy: -3.508 bonds (distance) P-C4' energy: -4.420 flat angles C4'-P-C4' energy: -4.234 flat angles P-C4'-P energy: -2.478 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: 10, replica: 1 ===================================== Write number: 231 Temperature: 1.350000 Total energy: -25.767422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.767422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.767422 (E_RNA) where: Base-Base interactions energy: -4.240 where: short stacking energy: -4.240 Base-Backbone interact. energy: -0.000 local terms energy: -21.526932 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -5.277 flat angles P-C4'-P energy: -4.342 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: 2 ===================================== Write number: 232 Temperature: 0.900000 Total energy: -33.102496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.102496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.102496 (E_RNA) where: Base-Base interactions energy: -12.765 where: short stacking energy: -12.765 Base-Backbone interact. energy: -0.007 local terms energy: -20.330781 where: bonds (distance) C4'-P energy: -4.219 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -3.320 flat angles P-C4'-P energy: -4.195 tors. eta vs tors. theta energy: -2.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 232 Temperature: 0.950000 Total energy: -36.339475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.339475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.339475 (E_RNA) where: Base-Base interactions energy: -11.862 where: short stacking energy: -11.862 Base-Backbone interact. energy: -0.000 local terms energy: -24.477427 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.729 flat angles P-C4'-P energy: -3.845 tors. eta vs tors. theta energy: -4.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 232 Temperature: 1.000000 Total energy: -29.917139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.917139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.917139 (E_RNA) where: Base-Base interactions energy: -8.679 where: short stacking energy: -8.679 Base-Backbone interact. energy: -0.000 local terms energy: -21.238352 where: bonds (distance) C4'-P energy: -4.049 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.316 flat angles P-C4'-P energy: -2.612 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: 4, replica: 4 ===================================== Write number: 232 Temperature: 1.050000 Total energy: -30.169842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.169842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.169842 (E_RNA) where: Base-Base interactions energy: -12.146 where: short stacking energy: -12.146 Base-Backbone interact. energy: -0.000 local terms energy: -18.024000 where: bonds (distance) C4'-P energy: -4.628 bonds (distance) P-C4' energy: -3.166 flat angles C4'-P-C4' energy: -3.656 flat angles P-C4'-P energy: -2.817 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: 5, replica: 7 ===================================== Write number: 232 Temperature: 1.100000 Total energy: -26.804034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.804034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.804034 (E_RNA) where: Base-Base interactions energy: -8.816 where: short stacking energy: -8.816 Base-Backbone interact. energy: -0.006 local terms energy: -17.981749 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -2.763 flat angles P-C4'-P energy: -3.173 tors. eta vs tors. theta energy: -1.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 232 Temperature: 1.150000 Total energy: -30.152972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.152972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.152972 (E_RNA) where: Base-Base interactions energy: -8.257 where: short stacking energy: -8.257 Base-Backbone interact. energy: -0.000 local terms energy: -21.896235 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -4.553 flat angles P-C4'-P energy: -4.687 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: 7, replica: 6 ===================================== Write number: 232 Temperature: 1.200000 Total energy: -25.463528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.463528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.463528 (E_RNA) where: Base-Base interactions energy: -8.370 where: short stacking energy: -8.370 Base-Backbone interact. energy: -0.000 local terms energy: -17.093581 where: bonds (distance) C4'-P energy: -4.493 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -1.731 flat angles P-C4'-P energy: -3.347 tors. eta vs tors. theta energy: -1.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 232 Temperature: 1.250000 Total energy: -24.970978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.970978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.970978 (E_RNA) where: Base-Base interactions energy: -8.355 where: short stacking energy: -8.355 Base-Backbone interact. energy: -0.002 local terms energy: -16.614136 where: bonds (distance) C4'-P energy: -4.227 bonds (distance) P-C4' energy: -4.427 flat angles C4'-P-C4' energy: -4.317 flat angles P-C4'-P energy: -4.358 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: 1 ===================================== Write number: 232 Temperature: 1.300000 Total energy: -26.608734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.608734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.608734 (E_RNA) where: Base-Base interactions energy: -6.352 where: short stacking energy: -6.352 Base-Backbone interact. energy: -0.005 local terms energy: -20.252332 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -5.540 flat angles C4'-P-C4' energy: -4.458 flat angles P-C4'-P energy: -3.141 tors. eta vs tors. theta energy: -1.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 232 Temperature: 1.350000 Total energy: -24.952152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.952152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.952152 (E_RNA) where: Base-Base interactions energy: -7.648 where: short stacking energy: -7.648 Base-Backbone interact. energy: -0.000 local terms energy: -17.303606 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -1.626 flat angles P-C4'-P energy: -4.166 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: 233 Temperature: 0.900000 Total energy: -29.103338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.103338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.103338 (E_RNA) where: Base-Base interactions energy: -9.336 where: short stacking energy: -9.336 Base-Backbone interact. energy: -0.005 local terms energy: -19.762204 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -5.724 flat angles C4'-P-C4' energy: -4.562 flat angles P-C4'-P energy: -4.038 tors. eta vs tors. theta energy: -0.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 233 Temperature: 0.950000 Total energy: -33.404480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.404480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.404480 (E_RNA) where: Base-Base interactions energy: -12.445 where: short stacking energy: -12.445 Base-Backbone interact. energy: -0.010 local terms energy: -20.949870 where: bonds (distance) C4'-P energy: -4.778 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.240 flat angles P-C4'-P energy: -3.308 tors. eta vs tors. theta energy: -1.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 233 Temperature: 1.000000 Total energy: -32.179052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.179052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.179052 (E_RNA) where: Base-Base interactions energy: -12.559 where: short stacking energy: -12.559 Base-Backbone interact. energy: -0.058 local terms energy: -19.561139 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.181 flat angles P-C4'-P energy: -1.825 tors. eta vs tors. theta energy: -2.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 233 Temperature: 1.050000 Total energy: -28.798047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.798047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.798047 (E_RNA) where: Base-Base interactions energy: -9.738 where: short stacking energy: -9.738 Base-Backbone interact. energy: -0.078 local terms energy: -18.981921 where: bonds (distance) C4'-P energy: -3.652 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -5.153 flat angles P-C4'-P energy: -2.724 tors. eta vs tors. theta energy: -1.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 233 Temperature: 1.100000 Total energy: -28.514110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.514110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.514110 (E_RNA) where: Base-Base interactions energy: -7.790 where: short stacking energy: -7.790 Base-Backbone interact. energy: -0.012 local terms energy: -20.712566 where: bonds (distance) C4'-P energy: -5.188 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -3.988 flat angles P-C4'-P energy: -3.138 tors. eta vs tors. theta energy: -2.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 233 Temperature: 1.150000 Total energy: -34.560651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.560651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.560651 (E_RNA) where: Base-Base interactions energy: -13.457 where: short stacking energy: -13.457 Base-Backbone interact. energy: -0.081 local terms energy: -21.022652 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -5.204 flat angles P-C4'-P energy: -2.595 tors. eta vs tors. theta energy: -1.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 233 Temperature: 1.200000 Total energy: -31.637448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.637448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.637448 (E_RNA) where: Base-Base interactions energy: -11.011 where: short stacking energy: -11.011 Base-Backbone interact. energy: -0.006 local terms energy: -20.620090 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -5.231 flat angles C4'-P-C4' energy: -4.589 flat angles P-C4'-P energy: -3.428 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: 8, replica: 1 ===================================== Write number: 233 Temperature: 1.250000 Total energy: -25.338857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.338857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.338857 (E_RNA) where: Base-Base interactions energy: -8.952 where: short stacking energy: -8.952 Base-Backbone interact. energy: -0.001 local terms energy: -16.385720 where: bonds (distance) C4'-P energy: -2.496 bonds (distance) P-C4' energy: -5.065 flat angles C4'-P-C4' energy: -3.473 flat angles P-C4'-P energy: -2.465 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: 9, replica: 3 ===================================== Write number: 233 Temperature: 1.300000 Total energy: -26.598146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.598146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.598146 (E_RNA) where: Base-Base interactions energy: -8.307 where: short stacking energy: -8.307 Base-Backbone interact. energy: -0.054 local terms energy: -18.237375 where: bonds (distance) C4'-P energy: -4.637 bonds (distance) P-C4' energy: -5.759 flat angles C4'-P-C4' energy: -3.551 flat angles P-C4'-P energy: -3.649 tors. eta vs tors. theta energy: -0.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 233 Temperature: 1.350000 Total energy: -24.268075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.268075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.268075 (E_RNA) where: Base-Base interactions energy: -8.858 where: short stacking energy: -8.858 Base-Backbone interact. energy: -0.000 local terms energy: -15.410492 where: bonds (distance) C4'-P energy: -1.023 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -4.893 flat angles P-C4'-P energy: -2.700 tors. eta vs tors. theta energy: -1.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 234 Temperature: 0.900000 Total energy: -33.209324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.209324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.209324 (E_RNA) where: Base-Base interactions energy: -12.098 where: short stacking energy: -12.098 Base-Backbone interact. energy: -0.001 local terms energy: -21.111169 where: bonds (distance) C4'-P energy: -3.871 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -3.645 flat angles P-C4'-P energy: -3.826 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: 2, replica: 2 ===================================== Write number: 234 Temperature: 0.950000 Total energy: -31.219270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.219270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.219270 (E_RNA) where: Base-Base interactions energy: -13.477 where: short stacking energy: -13.477 Base-Backbone interact. energy: -0.000 local terms energy: -17.742313 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: 1.185 flat angles P-C4'-P energy: -2.087 tors. eta vs tors. theta energy: -5.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 234 Temperature: 1.000000 Total energy: -28.041824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.041824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.041824 (E_RNA) where: Base-Base interactions energy: -11.599 where: short stacking energy: -11.599 Base-Backbone interact. energy: -0.019 local terms energy: -16.424006 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -3.540 flat angles C4'-P-C4' energy: -3.206 flat angles P-C4'-P energy: -4.372 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: 4, replica: 5 ===================================== Write number: 234 Temperature: 1.050000 Total energy: -27.339504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.339504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.339504 (E_RNA) where: Base-Base interactions energy: -4.582 where: short stacking energy: -4.582 Base-Backbone interact. energy: -0.000 local terms energy: -22.757939 where: bonds (distance) C4'-P energy: -4.716 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.460 flat angles P-C4'-P energy: -4.342 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: 5, replica: 6 ===================================== Write number: 234 Temperature: 1.100000 Total energy: -27.857943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.857943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.857943 (E_RNA) where: Base-Base interactions energy: -6.515 where: short stacking energy: -6.515 Base-Backbone interact. energy: -0.000 local terms energy: -21.343130 where: bonds (distance) C4'-P energy: -4.679 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.096 flat angles P-C4'-P energy: -3.379 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: 4 ===================================== Write number: 234 Temperature: 1.150000 Total energy: -29.860534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.860534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.860534 (E_RNA) where: Base-Base interactions energy: -10.481 where: short stacking energy: -10.481 Base-Backbone interact. energy: -0.023 local terms energy: -19.356476 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -4.839 flat angles C4'-P-C4' energy: -5.416 flat angles P-C4'-P energy: -2.185 tors. eta vs tors. theta energy: -1.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 234 Temperature: 1.200000 Total energy: -31.247396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.247396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.247396 (E_RNA) where: Base-Base interactions energy: -10.690 where: short stacking energy: -10.690 Base-Backbone interact. energy: -0.463 local terms energy: -20.094271 where: bonds (distance) C4'-P energy: -4.199 bonds (distance) P-C4' energy: -5.783 flat angles C4'-P-C4' energy: -4.003 flat angles P-C4'-P energy: -3.257 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: 8, replica: 10 ===================================== Write number: 234 Temperature: 1.250000 Total energy: -29.403360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.403360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.403360 (E_RNA) where: Base-Base interactions energy: -10.599 where: short stacking energy: -10.599 Base-Backbone interact. energy: -0.001 local terms energy: -18.803245 where: bonds (distance) C4'-P energy: -3.925 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.047 flat angles P-C4'-P energy: -0.952 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: 9, replica: 9 ===================================== Write number: 234 Temperature: 1.300000 Total energy: -26.094572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.094572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.094572 (E_RNA) where: Base-Base interactions energy: -8.212 where: short stacking energy: -8.212 Base-Backbone interact. energy: -0.100 local terms energy: -17.782288 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -2.903 flat angles C4'-P-C4' energy: -4.326 flat angles P-C4'-P energy: -3.478 tors. eta vs tors. theta energy: -1.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 234 Temperature: 1.350000 Total energy: -24.221312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.221312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.221312 (E_RNA) where: Base-Base interactions energy: -7.828 where: short stacking energy: -7.828 Base-Backbone interact. energy: 0.307 local terms energy: -16.700222 where: bonds (distance) C4'-P energy: -4.725 bonds (distance) P-C4' energy: -3.476 flat angles C4'-P-C4' energy: -4.338 flat angles P-C4'-P energy: -2.938 tors. eta vs tors. theta energy: -1.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 235 Temperature: 0.900000 Total energy: -33.713085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.713085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.713085 (E_RNA) where: Base-Base interactions energy: -12.712 where: short stacking energy: -12.712 Base-Backbone interact. energy: -0.001 local terms energy: -20.999793 where: bonds (distance) C4'-P energy: -3.400 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -5.731 flat angles P-C4'-P energy: -3.456 tors. eta vs tors. theta energy: -2.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 235 Temperature: 0.950000 Total energy: -33.813441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.813441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.813441 (E_RNA) where: Base-Base interactions energy: -15.151 where: short stacking energy: -15.151 Base-Backbone interact. energy: -0.000 local terms energy: -18.662023 where: bonds (distance) C4'-P energy: -3.321 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -3.977 flat angles P-C4'-P energy: -2.155 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: 3, replica: 2 ===================================== Write number: 235 Temperature: 1.000000 Total energy: -37.951723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.951723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.951723 (E_RNA) where: Base-Base interactions energy: -15.666 where: short stacking energy: -15.666 Base-Backbone interact. energy: -0.000 local terms energy: -22.285253 where: bonds (distance) C4'-P energy: -4.493 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -3.681 flat angles P-C4'-P energy: -4.102 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: 4, replica: 6 ===================================== Write number: 235 Temperature: 1.050000 Total energy: -29.529151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.529151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.529151 (E_RNA) where: Base-Base interactions energy: -11.032 where: short stacking energy: -11.032 Base-Backbone interact. energy: -0.016 local terms energy: -18.481824 where: bonds (distance) C4'-P energy: -3.847 bonds (distance) P-C4' energy: -4.939 flat angles C4'-P-C4' energy: -4.446 flat angles P-C4'-P energy: -2.622 tors. eta vs tors. theta energy: -2.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 235 Temperature: 1.100000 Total energy: -31.540314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.540314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.540314 (E_RNA) where: Base-Base interactions energy: -11.284 where: short stacking energy: -11.284 Base-Backbone interact. energy: -0.057 local terms energy: -20.198542 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -4.666 flat angles P-C4'-P energy: -3.239 tors. eta vs tors. theta energy: -1.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 235 Temperature: 1.150000 Total energy: -29.744672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.744672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.744672 (E_RNA) where: Base-Base interactions energy: -11.764 where: short stacking energy: -11.764 Base-Backbone interact. energy: -0.087 local terms energy: -17.893348 where: bonds (distance) C4'-P energy: -4.191 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -3.779 flat angles P-C4'-P energy: -3.044 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: 7, replica: 4 ===================================== Write number: 235 Temperature: 1.200000 Total energy: -24.180363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.180363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.180363 (E_RNA) where: Base-Base interactions energy: -7.501 where: short stacking energy: -7.501 Base-Backbone interact. energy: -0.003 local terms energy: -16.676223 where: bonds (distance) C4'-P energy: -4.493 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -5.298 flat angles P-C4'-P energy: -2.872 tors. eta vs tors. theta energy: 1.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 235 Temperature: 1.250000 Total energy: -27.698873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.698873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.698873 (E_RNA) where: Base-Base interactions energy: -8.024 where: short stacking energy: -8.024 Base-Backbone interact. energy: -0.041 local terms energy: -19.633893 where: bonds (distance) C4'-P energy: -3.694 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -4.705 flat angles P-C4'-P energy: -2.780 tors. eta vs tors. theta energy: -2.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 235 Temperature: 1.300000 Total energy: -24.284460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.284460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.284460 (E_RNA) where: Base-Base interactions energy: -5.538 where: short stacking energy: -5.538 Base-Backbone interact. energy: -0.001 local terms energy: -18.745920 where: bonds (distance) C4'-P energy: -4.653 bonds (distance) P-C4' energy: -4.421 flat angles C4'-P-C4' energy: -4.548 flat angles P-C4'-P energy: -3.262 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: 10, replica: 3 ===================================== Write number: 235 Temperature: 1.350000 Total energy: -27.137330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.137330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.137330 (E_RNA) where: Base-Base interactions energy: -7.453 where: short stacking energy: -7.453 Base-Backbone interact. energy: -0.064 local terms energy: -19.619778 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -5.566 flat angles C4'-P-C4' energy: -4.634 flat angles P-C4'-P energy: -3.848 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: 1, replica: 7 ===================================== Write number: 236 Temperature: 0.900000 Total energy: -40.104710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.104710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.104710 (E_RNA) where: Base-Base interactions energy: -14.665 where: short stacking energy: -14.665 Base-Backbone interact. energy: -0.000 local terms energy: -25.439926 where: bonds (distance) C4'-P energy: -4.377 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.612 flat angles P-C4'-P energy: -3.386 tors. eta vs tors. theta energy: -6.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 236 Temperature: 0.950000 Total energy: -34.186688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.186688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.186688 (E_RNA) where: Base-Base interactions energy: -13.569 where: short stacking energy: -13.569 Base-Backbone interact. energy: -0.000 local terms energy: -20.617993 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -4.835 flat angles C4'-P-C4' energy: -4.869 flat angles P-C4'-P energy: -2.687 tors. eta vs tors. theta energy: -3.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 236 Temperature: 1.000000 Total energy: -26.747168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.747168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.747168 (E_RNA) where: Base-Base interactions energy: -7.690 where: short stacking energy: -7.690 Base-Backbone interact. energy: -0.101 local terms energy: -18.956607 where: bonds (distance) C4'-P energy: -3.163 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.324 flat angles P-C4'-P energy: -4.694 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: 4, replica: 6 ===================================== Write number: 236 Temperature: 1.050000 Total energy: -30.650318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.650318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.650318 (E_RNA) where: Base-Base interactions energy: -12.061 where: short stacking energy: -12.061 Base-Backbone interact. energy: -0.096 local terms energy: -18.493129 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -4.200 flat angles P-C4'-P energy: -2.000 tors. eta vs tors. theta energy: -1.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 236 Temperature: 1.100000 Total energy: -27.692621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.692621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.692621 (E_RNA) where: Base-Base interactions energy: -5.226 where: short stacking energy: -5.508 Base-Backbone interact. energy: -0.012 local terms energy: -22.455166 where: bonds (distance) C4'-P energy: -4.617 bonds (distance) P-C4' energy: -4.839 flat angles C4'-P-C4' energy: -4.644 flat angles P-C4'-P energy: -4.180 tors. eta vs tors. theta energy: -4.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 236 Temperature: 1.150000 Total energy: -25.473950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.473950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.473950 (E_RNA) where: Base-Base interactions energy: -3.736 where: short stacking energy: -3.736 Base-Backbone interact. energy: -0.001 local terms energy: -21.736886 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.918 flat angles P-C4'-P energy: -3.382 tors. eta vs tors. theta energy: -2.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 236 Temperature: 1.200000 Total energy: -23.988363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.988363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.988363 (E_RNA) where: Base-Base interactions energy: -5.156 where: short stacking energy: -5.156 Base-Backbone interact. energy: -0.000 local terms energy: -18.832670 where: bonds (distance) C4'-P energy: -2.791 bonds (distance) P-C4' energy: -4.709 flat angles C4'-P-C4' energy: -5.273 flat angles P-C4'-P energy: -4.605 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: 8, replica: 4 ===================================== Write number: 236 Temperature: 1.250000 Total energy: -26.574258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.574258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.574258 (E_RNA) where: Base-Base interactions energy: -10.062 where: short stacking energy: -10.062 Base-Backbone interact. energy: -0.002 local terms energy: -16.509932 where: bonds (distance) C4'-P energy: -3.669 bonds (distance) P-C4' energy: -5.234 flat angles C4'-P-C4' energy: -0.662 flat angles P-C4'-P energy: -4.265 tors. eta vs tors. theta energy: -2.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 236 Temperature: 1.300000 Total energy: -26.651041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.651041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.651041 (E_RNA) where: Base-Base interactions energy: -7.383 where: short stacking energy: -7.383 Base-Backbone interact. energy: -0.003 local terms energy: -19.264827 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.396 flat angles P-C4'-P energy: -1.359 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: 10, replica: 10 ===================================== Write number: 236 Temperature: 1.350000 Total energy: -24.773509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.773509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.773509 (E_RNA) where: Base-Base interactions energy: -9.710 where: short stacking energy: -9.710 Base-Backbone interact. energy: -0.000 local terms energy: -15.063896 where: bonds (distance) C4'-P energy: -3.879 bonds (distance) P-C4' energy: -3.348 flat angles C4'-P-C4' energy: -2.883 flat angles P-C4'-P energy: -3.482 tors. eta vs tors. theta energy: -1.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 237 Temperature: 0.900000 Total energy: -33.603121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.603121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.603121 (E_RNA) where: Base-Base interactions energy: -11.518 where: short stacking energy: -11.518 Base-Backbone interact. energy: -0.095 local terms energy: -21.989723 where: bonds (distance) C4'-P energy: -4.493 bonds (distance) P-C4' energy: -5.759 flat angles C4'-P-C4' energy: -4.724 flat angles P-C4'-P energy: -2.182 tors. eta vs tors. theta energy: -4.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 237 Temperature: 0.950000 Total energy: -36.774274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.774274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.774274 (E_RNA) where: Base-Base interactions energy: -13.747 where: short stacking energy: -13.747 Base-Backbone interact. energy: -0.011 local terms energy: -23.016119 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.977 flat angles P-C4'-P energy: -2.665 tors. eta vs tors. theta energy: -4.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 237 Temperature: 1.000000 Total energy: -29.043578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.043578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.043578 (E_RNA) where: Base-Base interactions energy: -12.365 where: short stacking energy: -12.365 Base-Backbone interact. energy: -0.036 local terms energy: -16.642549 where: bonds (distance) C4'-P energy: -5.275 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -3.267 flat angles P-C4'-P energy: -2.899 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: 4, replica: 5 ===================================== Write number: 237 Temperature: 1.050000 Total energy: -35.662339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.662339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.662339 (E_RNA) where: Base-Base interactions energy: -11.233 where: short stacking energy: -11.233 Base-Backbone interact. energy: -0.000 local terms energy: -24.429178 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.431 flat angles P-C4'-P energy: -4.305 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: 5, replica: 6 ===================================== Write number: 237 Temperature: 1.100000 Total energy: -29.516787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.516787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.516787 (E_RNA) where: Base-Base interactions energy: -9.022 where: short stacking energy: -9.022 Base-Backbone interact. energy: -0.000 local terms energy: -20.495276 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.107 flat angles P-C4'-P energy: -2.214 tors. eta vs tors. theta energy: -1.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 237 Temperature: 1.150000 Total energy: -28.160507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.160507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.160507 (E_RNA) where: Base-Base interactions energy: -7.875 where: short stacking energy: -7.875 Base-Backbone interact. energy: -0.015 local terms energy: -20.271369 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.476 flat angles C4'-P-C4' energy: -5.298 flat angles P-C4'-P energy: -2.410 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: 7, replica: 1 ===================================== Write number: 237 Temperature: 1.200000 Total energy: -28.461491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.461491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.461491 (E_RNA) where: Base-Base interactions energy: -11.385 where: short stacking energy: -11.385 Base-Backbone interact. energy: -0.010 local terms energy: -17.066891 where: bonds (distance) C4'-P energy: -4.273 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -2.504 flat angles P-C4'-P energy: -3.418 tors. eta vs tors. theta energy: -1.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 237 Temperature: 1.250000 Total energy: -26.089428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.089428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.089428 (E_RNA) where: Base-Base interactions energy: -8.518 where: short stacking energy: -8.518 Base-Backbone interact. energy: -0.001 local terms energy: -17.571136 where: bonds (distance) C4'-P energy: -2.112 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -4.932 flat angles P-C4'-P energy: -3.202 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: 9, replica: 4 ===================================== Write number: 237 Temperature: 1.300000 Total energy: -29.977659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.977659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.977659 (E_RNA) where: Base-Base interactions energy: -11.016 where: short stacking energy: -11.016 Base-Backbone interact. energy: -0.321 local terms energy: -18.641236 where: bonds (distance) C4'-P energy: -4.008 bonds (distance) P-C4' energy: -5.540 flat angles C4'-P-C4' energy: -3.086 flat angles P-C4'-P energy: -2.128 tors. eta vs tors. theta energy: -3.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 237 Temperature: 1.350000 Total energy: -25.986776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.986776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.986776 (E_RNA) where: Base-Base interactions energy: -7.395 where: short stacking energy: -7.395 Base-Backbone interact. energy: -0.033 local terms energy: -18.558499 where: bonds (distance) C4'-P energy: -4.778 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -3.744 flat angles P-C4'-P energy: -2.697 tors. eta vs tors. theta energy: -1.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 238 Temperature: 0.900000 Total energy: -33.909662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.909662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.909662 (E_RNA) where: Base-Base interactions energy: -11.971 where: short stacking energy: -11.971 Base-Backbone interact. energy: -0.017 local terms energy: -21.921686 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -4.360 flat angles C4'-P-C4' energy: -5.383 flat angles P-C4'-P energy: -4.008 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: 2, replica: 7 ===================================== Write number: 238 Temperature: 0.950000 Total energy: -39.622465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.622465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.622465 (E_RNA) where: Base-Base interactions energy: -17.365 where: short stacking energy: -17.365 Base-Backbone interact. energy: -0.002 local terms energy: -22.255781 where: bonds (distance) C4'-P energy: -4.493 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -3.504 flat angles P-C4'-P energy: -3.885 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: 3, replica: 5 ===================================== Write number: 238 Temperature: 1.000000 Total energy: -33.260326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.260326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.260326 (E_RNA) where: Base-Base interactions energy: -15.289 where: short stacking energy: -15.289 Base-Backbone interact. energy: -0.039 local terms energy: -17.931845 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -4.719 flat angles C4'-P-C4' energy: -3.749 flat angles P-C4'-P energy: -2.437 tors. eta vs tors. theta energy: -2.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 238 Temperature: 1.050000 Total energy: -32.486278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.486278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.486278 (E_RNA) where: Base-Base interactions energy: -12.600 where: short stacking energy: -12.600 Base-Backbone interact. energy: -0.000 local terms energy: -19.886721 where: bonds (distance) C4'-P energy: -3.251 bonds (distance) P-C4' energy: -4.410 flat angles C4'-P-C4' energy: -2.927 flat angles P-C4'-P energy: -3.925 tors. eta vs tors. theta energy: -5.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 238 Temperature: 1.100000 Total energy: -26.778397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.778397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.778397 (E_RNA) where: Base-Base interactions energy: -4.388 where: short stacking energy: -4.388 Base-Backbone interact. energy: -0.004 local terms energy: -22.387267 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -5.923 flat angles P-C4'-P energy: -3.636 tors. eta vs tors. theta energy: -1.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 238 Temperature: 1.150000 Total energy: -30.874896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.874896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.874896 (E_RNA) where: Base-Base interactions energy: -9.151 where: short stacking energy: -9.151 Base-Backbone interact. energy: -0.000 local terms energy: -21.723567 where: bonds (distance) C4'-P energy: -3.714 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -5.308 flat angles P-C4'-P energy: -3.160 tors. eta vs tors. theta energy: -3.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 238 Temperature: 1.200000 Total energy: -26.350523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.350523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.350523 (E_RNA) where: Base-Base interactions energy: -8.410 where: short stacking energy: -8.410 Base-Backbone interact. energy: -0.000 local terms energy: -17.940552 where: bonds (distance) C4'-P energy: -3.909 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -5.003 flat angles P-C4'-P energy: -3.957 tors. eta vs tors. theta energy: 0.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 238 Temperature: 1.250000 Total energy: -30.447320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.447320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.447320 (E_RNA) where: Base-Base interactions energy: -13.929 where: short stacking energy: -13.929 Base-Backbone interact. energy: -0.000 local terms energy: -16.518609 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -1.469 flat angles C4'-P-C4' energy: -4.706 flat angles P-C4'-P energy: -2.685 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: 9, replica: 10 ===================================== Write number: 238 Temperature: 1.300000 Total energy: -29.036176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.036176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.036176 (E_RNA) where: Base-Base interactions energy: -8.681 where: short stacking energy: -8.681 Base-Backbone interact. energy: -0.004 local terms energy: -20.350875 where: bonds (distance) C4'-P energy: -4.600 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -4.666 flat angles P-C4'-P energy: -1.848 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: 10, replica: 4 ===================================== Write number: 238 Temperature: 1.350000 Total energy: -23.941752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.941752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.941752 (E_RNA) where: Base-Base interactions energy: -9.896 where: short stacking energy: -10.096 Base-Backbone interact. energy: -0.008 local terms energy: -14.037809 where: bonds (distance) C4'-P energy: -2.816 bonds (distance) P-C4' energy: -3.135 flat angles C4'-P-C4' energy: -3.748 flat angles P-C4'-P energy: -3.335 tors. eta vs tors. theta energy: -1.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 239 Temperature: 0.900000 Total energy: -33.226418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.226418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.226418 (E_RNA) where: Base-Base interactions energy: -12.684 where: short stacking energy: -12.684 Base-Backbone interact. energy: -0.108 local terms energy: -20.434084 where: bonds (distance) C4'-P energy: -4.405 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.952 flat angles P-C4'-P energy: -3.463 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: 2, replica: 7 ===================================== Write number: 239 Temperature: 0.950000 Total energy: -36.899011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.899011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.899011 (E_RNA) where: Base-Base interactions energy: -15.274 where: short stacking energy: -15.274 Base-Backbone interact. energy: -0.001 local terms energy: -21.624377 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.630 flat angles P-C4'-P energy: -2.521 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: 3, replica: 5 ===================================== Write number: 239 Temperature: 1.000000 Total energy: -37.263425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.263425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.263425 (E_RNA) where: Base-Base interactions energy: -14.776 where: short stacking energy: -14.776 Base-Backbone interact. energy: -0.000 local terms energy: -22.487671 where: bonds (distance) C4'-P energy: -4.389 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -5.278 flat angles P-C4'-P energy: -2.568 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: 4, replica: 9 ===================================== Write number: 239 Temperature: 1.050000 Total energy: -37.283343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.283343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.283343 (E_RNA) where: Base-Base interactions energy: -13.842 where: short stacking energy: -13.842 Base-Backbone interact. energy: -0.000 local terms energy: -23.441109 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -5.166 flat angles P-C4'-P energy: -3.302 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: 5, replica: 8 ===================================== Write number: 239 Temperature: 1.100000 Total energy: -36.137307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.137307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.137307 (E_RNA) where: Base-Base interactions energy: -15.675 where: short stacking energy: -15.675 Base-Backbone interact. energy: -0.000 local terms energy: -20.462801 where: bonds (distance) C4'-P energy: -4.653 bonds (distance) P-C4' energy: -4.262 flat angles C4'-P-C4' energy: -4.440 flat angles P-C4'-P energy: -3.454 tors. eta vs tors. theta energy: -3.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 239 Temperature: 1.150000 Total energy: -27.008305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.008305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.008305 (E_RNA) where: Base-Base interactions energy: -9.570 where: short stacking energy: -9.570 Base-Backbone interact. energy: -0.000 local terms energy: -17.438417 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -3.973 flat angles P-C4'-P energy: -2.197 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: 7, replica: 1 ===================================== Write number: 239 Temperature: 1.200000 Total energy: -32.798843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.798843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.798843 (E_RNA) where: Base-Base interactions energy: -12.192 where: short stacking energy: -12.192 Base-Backbone interact. energy: -0.004 local terms energy: -20.603242 where: bonds (distance) C4'-P energy: -3.668 bonds (distance) P-C4' energy: -4.945 flat angles C4'-P-C4' energy: -5.363 flat angles P-C4'-P energy: -4.408 tors. eta vs tors. theta energy: -2.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 239 Temperature: 1.250000 Total energy: -28.291640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.291640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.291640 (E_RNA) where: Base-Base interactions energy: -8.152 where: short stacking energy: -8.152 Base-Backbone interact. energy: -0.004 local terms energy: -20.135817 where: bonds (distance) C4'-P energy: -4.927 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -4.030 flat angles P-C4'-P energy: -3.226 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: 9, replica: 3 ===================================== Write number: 239 Temperature: 1.300000 Total energy: -25.564615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.564615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.564615 (E_RNA) where: Base-Base interactions energy: -6.614 where: short stacking energy: -6.614 Base-Backbone interact. energy: -0.097 local terms energy: -18.854034 where: bonds (distance) C4'-P energy: -4.103 bonds (distance) P-C4' energy: -5.305 flat angles C4'-P-C4' energy: -5.745 flat angles P-C4'-P energy: -1.958 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: 10, replica: 4 ===================================== Write number: 239 Temperature: 1.350000 Total energy: -34.431900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.431900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.431900 (E_RNA) where: Base-Base interactions energy: -12.233 where: short stacking energy: -12.233 Base-Backbone interact. energy: -0.000 local terms energy: -22.198571 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.818 flat angles P-C4'-P energy: -3.666 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: 1, replica: 7 ===================================== Write number: 240 Temperature: 0.900000 Total energy: -41.536314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.536314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.536314 (E_RNA) where: Base-Base interactions energy: -17.041 where: short stacking energy: -17.041 Base-Backbone interact. energy: -0.000 local terms energy: -24.495016 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -4.621 flat angles C4'-P-C4' energy: -4.986 flat angles P-C4'-P energy: -4.524 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: 2, replica: 2 ===================================== Write number: 240 Temperature: 0.950000 Total energy: -31.757050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.757050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.757050 (E_RNA) where: Base-Base interactions energy: -12.555 where: short stacking energy: -12.555 Base-Backbone interact. energy: -0.002 local terms energy: -19.200240 where: bonds (distance) C4'-P energy: -5.018 bonds (distance) P-C4' energy: -4.994 flat angles C4'-P-C4' energy: -1.364 flat angles P-C4'-P energy: -4.220 tors. eta vs tors. theta energy: -3.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 240 Temperature: 1.000000 Total energy: -32.088488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.088488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.088488 (E_RNA) where: Base-Base interactions energy: -11.978 where: short stacking energy: -11.978 Base-Backbone interact. energy: -0.008 local terms energy: -20.102552 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.333 flat angles C4'-P-C4' energy: -4.993 flat angles P-C4'-P energy: -2.973 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: 4, replica: 5 ===================================== Write number: 240 Temperature: 1.050000 Total energy: -29.133866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.133866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.133866 (E_RNA) where: Base-Base interactions energy: -9.761 where: short stacking energy: -9.761 Base-Backbone interact. energy: -0.010 local terms energy: -19.362898 where: bonds (distance) C4'-P energy: -5.159 bonds (distance) P-C4' energy: -5.286 flat angles C4'-P-C4' energy: -5.138 flat angles P-C4'-P energy: -2.136 tors. eta vs tors. theta energy: -1.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 240 Temperature: 1.100000 Total energy: -28.283388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.283388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.283388 (E_RNA) where: Base-Base interactions energy: -8.507 where: short stacking energy: -8.507 Base-Backbone interact. energy: -0.111 local terms energy: -19.665545 where: bonds (distance) C4'-P energy: -4.397 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -4.514 flat angles P-C4'-P energy: -3.591 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: 8 ===================================== Write number: 240 Temperature: 1.150000 Total energy: -28.142858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.142858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.142858 (E_RNA) where: Base-Base interactions energy: -12.067 where: short stacking energy: -12.067 Base-Backbone interact. energy: -0.000 local terms energy: -16.075590 where: bonds (distance) C4'-P energy: -4.235 bonds (distance) P-C4' energy: -5.540 flat angles C4'-P-C4' energy: -1.383 flat angles P-C4'-P energy: -0.599 tors. eta vs tors. theta energy: -4.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 240 Temperature: 1.200000 Total energy: -32.545372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.545372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.545372 (E_RNA) where: Base-Base interactions energy: -11.952 where: short stacking energy: -11.952 Base-Backbone interact. energy: -0.000 local terms energy: -20.593121 where: bonds (distance) C4'-P energy: -4.786 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -3.893 flat angles P-C4'-P energy: -3.414 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: 8, replica: 1 ===================================== Write number: 240 Temperature: 1.250000 Total energy: -29.406163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.406163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.406163 (E_RNA) where: Base-Base interactions energy: -12.120 where: short stacking energy: -12.120 Base-Backbone interact. energy: -0.003 local terms energy: -17.283928 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -3.976 flat angles C4'-P-C4' energy: -3.498 flat angles P-C4'-P energy: -3.985 tors. eta vs tors. theta energy: -0.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 240 Temperature: 1.300000 Total energy: -25.980263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.980263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.980263 (E_RNA) where: Base-Base interactions energy: -12.083 where: short stacking energy: -12.083 Base-Backbone interact. energy: -0.187 local terms energy: -13.710338 where: bonds (distance) C4'-P energy: -1.499 bonds (distance) P-C4' energy: -3.219 flat angles C4'-P-C4' energy: -4.735 flat angles P-C4'-P energy: -3.677 tors. eta vs tors. theta energy: -0.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 240 Temperature: 1.350000 Total energy: -26.380897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.380897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.380897 (E_RNA) where: Base-Base interactions energy: -7.629 where: short stacking energy: -7.629 Base-Backbone interact. energy: -0.390 local terms energy: -18.361238 where: bonds (distance) C4'-P energy: -5.391 bonds (distance) P-C4' energy: -5.522 flat angles C4'-P-C4' energy: -2.569 flat angles P-C4'-P energy: -4.208 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: 1, replica: 7 ===================================== Write number: 241 Temperature: 0.900000 Total energy: -35.213683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.213683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.213683 (E_RNA) where: Base-Base interactions energy: -10.750 where: short stacking energy: -10.750 Base-Backbone interact. energy: -0.000 local terms energy: -24.463486 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -4.646 flat angles C4'-P-C4' energy: -5.533 flat angles P-C4'-P energy: -3.050 tors. eta vs tors. theta energy: -5.745 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: 2, replica: 9 ===================================== Write number: 241 Temperature: 0.950000 Total energy: -34.479695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.479695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.479695 (E_RNA) where: Base-Base interactions energy: -12.441 where: short stacking energy: -12.441 Base-Backbone interact. energy: -0.000 local terms energy: -22.038519 where: bonds (distance) C4'-P energy: -3.900 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -5.049 flat angles P-C4'-P energy: -4.646 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: 3, replica: 2 ===================================== Write number: 241 Temperature: 1.000000 Total energy: -34.203174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.203174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.203174 (E_RNA) where: Base-Base interactions energy: -13.436 where: short stacking energy: -13.436 Base-Backbone interact. energy: -0.001 local terms energy: -20.766129 where: bonds (distance) C4'-P energy: -4.645 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -4.464 flat angles P-C4'-P energy: -4.312 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: 6 ===================================== Write number: 241 Temperature: 1.050000 Total energy: -29.749316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.749316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.749316 (E_RNA) where: Base-Base interactions energy: -12.026 where: short stacking energy: -12.026 Base-Backbone interact. energy: -0.039 local terms energy: -17.684450 where: bonds (distance) C4'-P energy: -3.561 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -5.295 flat angles P-C4'-P energy: -2.832 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: 5, replica: 5 ===================================== Write number: 241 Temperature: 1.100000 Total energy: -31.422289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.422289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.422289 (E_RNA) where: Base-Base interactions energy: -11.452 where: short stacking energy: -11.452 Base-Backbone interact. energy: -0.015 local terms energy: -19.955242 where: bonds (distance) C4'-P energy: -4.219 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -3.285 flat angles P-C4'-P energy: -4.532 tors. eta vs tors. theta energy: -2.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 241 Temperature: 1.150000 Total energy: -33.453235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.453235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.453235 (E_RNA) where: Base-Base interactions energy: -10.907 where: short stacking energy: -10.907 Base-Backbone interact. energy: -0.000 local terms energy: -22.546045 where: bonds (distance) C4'-P energy: -4.016 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -3.874 flat angles P-C4'-P energy: -3.790 tors. eta vs tors. theta energy: -4.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 241 Temperature: 1.200000 Total energy: -27.317868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.317868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.317868 (E_RNA) where: Base-Base interactions energy: -8.812 where: short stacking energy: -8.812 Base-Backbone interact. energy: -0.005 local terms energy: -18.500579 where: bonds (distance) C4'-P energy: -4.609 bonds (distance) P-C4' energy: -3.691 flat angles C4'-P-C4' energy: -5.231 flat angles P-C4'-P energy: -3.623 tors. eta vs tors. theta energy: -1.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 241 Temperature: 1.250000 Total energy: -24.305138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.305138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.305138 (E_RNA) where: Base-Base interactions energy: -7.881 where: short stacking energy: -7.881 Base-Backbone interact. energy: -0.001 local terms energy: -16.423056 where: bonds (distance) C4'-P energy: -2.675 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -3.044 flat angles P-C4'-P energy: -3.558 tors. eta vs tors. theta energy: -1.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 241 Temperature: 1.300000 Total energy: -30.116083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.116083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.116083 (E_RNA) where: Base-Base interactions energy: -10.052 where: short stacking energy: -10.528 Base-Backbone interact. energy: -0.002 local terms energy: -20.061214 where: bonds (distance) C4'-P energy: -4.132 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -4.696 flat angles P-C4'-P energy: -2.656 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: 10, replica: 3 ===================================== Write number: 241 Temperature: 1.350000 Total energy: -26.410910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.410910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.410910 (E_RNA) where: Base-Base interactions energy: -7.662 where: short stacking energy: -7.662 Base-Backbone interact. energy: -0.005 local terms energy: -18.744185 where: bonds (distance) C4'-P energy: -4.609 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -4.044 flat angles P-C4'-P energy: -2.970 tors. eta vs tors. theta energy: -1.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 242 Temperature: 0.900000 Total energy: -32.150515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.150515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.150515 (E_RNA) where: Base-Base interactions energy: -11.912 where: short stacking energy: -11.912 Base-Backbone interact. energy: -0.000 local terms energy: -20.238043 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -4.988 flat angles P-C4'-P energy: -2.362 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: 2, replica: 7 ===================================== Write number: 242 Temperature: 0.950000 Total energy: -31.182098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.182098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.182098 (E_RNA) where: Base-Base interactions energy: -8.837 where: short stacking energy: -8.837 Base-Backbone interact. energy: -0.041 local terms energy: -22.304583 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.293 flat angles P-C4'-P energy: -3.802 tors. eta vs tors. theta energy: -2.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 242 Temperature: 1.000000 Total energy: -35.992791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.992791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.992791 (E_RNA) where: Base-Base interactions energy: -14.431 where: short stacking energy: -14.431 Base-Backbone interact. energy: -0.000 local terms energy: -21.561733 where: bonds (distance) C4'-P energy: -3.072 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -5.467 flat angles P-C4'-P energy: -2.762 tors. eta vs tors. theta energy: -4.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 242 Temperature: 1.050000 Total energy: -33.144840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.144840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.144840 (E_RNA) where: Base-Base interactions energy: -15.097 where: short stacking energy: -15.097 Base-Backbone interact. energy: -0.000 local terms energy: -18.047550 where: bonds (distance) C4'-P energy: -3.871 bonds (distance) P-C4' energy: -3.765 flat angles C4'-P-C4' energy: -2.206 flat angles P-C4'-P energy: -3.576 tors. eta vs tors. theta energy: -4.629 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: 10 ===================================== Write number: 242 Temperature: 1.100000 Total energy: -31.165792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.165792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.165792 (E_RNA) where: Base-Base interactions energy: -10.612 where: short stacking energy: -10.612 Base-Backbone interact. energy: -0.017 local terms energy: -20.536529 where: bonds (distance) C4'-P energy: -3.598 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -5.279 flat angles P-C4'-P energy: -3.501 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: 6, replica: 5 ===================================== Write number: 242 Temperature: 1.150000 Total energy: -31.273628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.273628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.273628 (E_RNA) where: Base-Base interactions energy: -11.017 where: short stacking energy: -11.017 Base-Backbone interact. energy: -0.000 local terms energy: -20.256664 where: bonds (distance) C4'-P energy: -4.725 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -4.705 flat angles P-C4'-P energy: -1.187 tors. eta vs tors. theta energy: -3.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 242 Temperature: 1.200000 Total energy: -22.426485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.426485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.426485 (E_RNA) where: Base-Base interactions energy: -7.667 where: short stacking energy: -7.667 Base-Backbone interact. energy: -0.007 local terms energy: -14.752652 where: bonds (distance) C4'-P energy: -4.120 bonds (distance) P-C4' energy: -5.494 flat angles C4'-P-C4' energy: -5.690 flat angles P-C4'-P energy: -1.287 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: 8, replica: 8 ===================================== Write number: 242 Temperature: 1.250000 Total energy: -25.926487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.926487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.926487 (E_RNA) where: Base-Base interactions energy: -6.807 where: short stacking energy: -6.807 Base-Backbone interact. energy: -0.000 local terms energy: -19.119724 where: bonds (distance) C4'-P energy: -3.644 bonds (distance) P-C4' energy: -5.547 flat angles C4'-P-C4' energy: -4.099 flat angles P-C4'-P energy: -3.430 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: 9, replica: 3 ===================================== Write number: 242 Temperature: 1.300000 Total energy: -31.105566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.105566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.105566 (E_RNA) where: Base-Base interactions energy: -14.131 where: short stacking energy: -14.131 Base-Backbone interact. energy: -0.000 local terms energy: -16.974347 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -4.237 flat angles C4'-P-C4' energy: -4.212 flat angles P-C4'-P energy: -0.872 tors. eta vs tors. theta energy: -2.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 242 Temperature: 1.350000 Total energy: -24.118719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.118719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.118719 (E_RNA) where: Base-Base interactions energy: -7.252 where: short stacking energy: -7.252 Base-Backbone interact. energy: -0.022 local terms energy: -16.844385 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -3.737 flat angles C4'-P-C4' energy: -3.689 flat angles P-C4'-P energy: -2.846 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: 9 ===================================== Write number: 243 Temperature: 0.900000 Total energy: -32.307239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.307239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.307239 (E_RNA) where: Base-Base interactions energy: -11.867 where: short stacking energy: -11.867 Base-Backbone interact. energy: -0.040 local terms energy: -20.400660 where: bonds (distance) C4'-P energy: -4.725 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.194 flat angles P-C4'-P energy: -4.138 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: 2, replica: 6 ===================================== Write number: 243 Temperature: 0.950000 Total energy: -36.476328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.476328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.476328 (E_RNA) where: Base-Base interactions energy: -16.718 where: short stacking energy: -16.718 Base-Backbone interact. energy: -0.000 local terms energy: -19.758316 where: bonds (distance) C4'-P energy: -3.387 bonds (distance) P-C4' energy: -4.413 flat angles C4'-P-C4' energy: -5.310 flat angles P-C4'-P energy: -3.026 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: 3, replica: 7 ===================================== Write number: 243 Temperature: 1.000000 Total energy: -30.059482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.059482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.059482 (E_RNA) where: Base-Base interactions energy: -9.400 where: short stacking energy: -9.400 Base-Backbone interact. energy: -0.000 local terms energy: -20.659053 where: bonds (distance) C4'-P energy: -5.188 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.273 flat angles P-C4'-P energy: -2.150 tors. eta vs tors. theta energy: -2.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 243 Temperature: 1.050000 Total energy: -30.703384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.703384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.703384 (E_RNA) where: Base-Base interactions energy: -11.976 where: short stacking energy: -11.976 Base-Backbone interact. energy: -0.152 local terms energy: -18.575298 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -5.469 flat angles C4'-P-C4' energy: -4.605 flat angles P-C4'-P energy: -1.879 tors. eta vs tors. theta energy: -1.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 243 Temperature: 1.100000 Total energy: -29.588129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.588129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.588129 (E_RNA) where: Base-Base interactions energy: -8.851 where: short stacking energy: -8.795 Base-Backbone interact. energy: -0.002 local terms energy: -20.735532 where: bonds (distance) C4'-P energy: -4.513 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -1.982 flat angles P-C4'-P energy: -3.564 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: 6, replica: 4 ===================================== Write number: 243 Temperature: 1.150000 Total energy: -29.736333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.736333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.736333 (E_RNA) where: Base-Base interactions energy: -9.507 where: short stacking energy: -9.507 Base-Backbone interact. energy: -0.004 local terms energy: -20.224485 where: bonds (distance) C4'-P energy: -4.377 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -5.206 flat angles P-C4'-P energy: -2.138 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: 7, replica: 5 ===================================== Write number: 243 Temperature: 1.200000 Total energy: -29.356619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.356619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.356619 (E_RNA) where: Base-Base interactions energy: -10.782 where: short stacking energy: -10.782 Base-Backbone interact. energy: -0.049 local terms energy: -18.525464 where: bonds (distance) C4'-P energy: -4.529 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -3.987 flat angles P-C4'-P energy: -3.855 tors. eta vs tors. theta energy: -0.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 243 Temperature: 1.250000 Total energy: -26.007229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.007229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.007229 (E_RNA) where: Base-Base interactions energy: -8.376 where: short stacking energy: -8.376 Base-Backbone interact. energy: -0.000 local terms energy: -17.630800 where: bonds (distance) C4'-P energy: -4.628 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -4.482 flat angles P-C4'-P energy: -2.140 tors. eta vs tors. theta energy: -0.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 243 Temperature: 1.300000 Total energy: -29.037786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.037786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.037786 (E_RNA) where: Base-Base interactions energy: -9.475 where: short stacking energy: -9.475 Base-Backbone interact. energy: -0.013 local terms energy: -19.550164 where: bonds (distance) C4'-P energy: -3.420 bonds (distance) P-C4' energy: -4.783 flat angles C4'-P-C4' energy: -5.342 flat angles P-C4'-P energy: -3.998 tors. eta vs tors. theta energy: -2.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 243 Temperature: 1.350000 Total energy: -26.443705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.443705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.443705 (E_RNA) where: Base-Base interactions energy: -8.064 where: short stacking energy: -8.064 Base-Backbone interact. energy: -0.017 local terms energy: -18.362406 where: bonds (distance) C4'-P energy: -4.663 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.636 flat angles P-C4'-P energy: -1.906 tors. eta vs tors. theta energy: -1.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 244 Temperature: 0.900000 Total energy: -41.060230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.060230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.060230 (E_RNA) where: Base-Base interactions energy: -17.041 where: short stacking energy: -17.041 Base-Backbone interact. energy: -0.000 local terms energy: -24.019710 where: bonds (distance) C4'-P energy: -4.563 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.621 flat angles P-C4'-P energy: -4.060 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: 9 ===================================== Write number: 244 Temperature: 0.950000 Total energy: -30.437352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.437352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.437352 (E_RNA) where: Base-Base interactions energy: -11.863 where: short stacking energy: -11.863 Base-Backbone interact. energy: -0.000 local terms energy: -18.574176 where: bonds (distance) C4'-P energy: -2.832 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.622 flat angles P-C4'-P energy: -3.175 tors. eta vs tors. theta energy: -0.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 244 Temperature: 1.000000 Total energy: -29.607922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.607922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.607922 (E_RNA) where: Base-Base interactions energy: -8.880 where: short stacking energy: -8.880 Base-Backbone interact. energy: -0.002 local terms energy: -20.725275 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -3.752 flat angles C4'-P-C4' energy: -4.897 flat angles P-C4'-P energy: -3.799 tors. eta vs tors. theta energy: -3.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 244 Temperature: 1.050000 Total energy: -36.224072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.224072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.224072 (E_RNA) where: Base-Base interactions energy: -14.309 where: short stacking energy: -14.309 Base-Backbone interact. energy: -0.000 local terms energy: -21.914543 where: bonds (distance) C4'-P energy: -4.369 bonds (distance) P-C4' energy: -3.969 flat angles C4'-P-C4' energy: -5.712 flat angles P-C4'-P energy: -3.051 tors. eta vs tors. theta energy: -4.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 244 Temperature: 1.100000 Total energy: -30.140100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.140100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.140100 (E_RNA) where: Base-Base interactions energy: -12.671 where: short stacking energy: -12.671 Base-Backbone interact. energy: -0.001 local terms energy: -17.468091 where: bonds (distance) C4'-P energy: -3.482 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -5.132 flat angles P-C4'-P energy: -3.057 tors. eta vs tors. theta energy: -0.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 244 Temperature: 1.150000 Total energy: -25.762456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.762456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.762456 (E_RNA) where: Base-Base interactions energy: -6.679 where: short stacking energy: -6.679 Base-Backbone interact. energy: -0.000 local terms energy: -19.083051 where: bonds (distance) C4'-P energy: -3.545 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -3.727 flat angles P-C4'-P energy: -3.308 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: 7, replica: 3 ===================================== Write number: 244 Temperature: 1.200000 Total energy: -28.483901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.483901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.483901 (E_RNA) where: Base-Base interactions energy: -8.133 where: short stacking energy: -8.133 Base-Backbone interact. energy: -0.007 local terms energy: -20.343456 where: bonds (distance) C4'-P energy: -4.219 bonds (distance) P-C4' energy: -4.811 flat angles C4'-P-C4' energy: -5.466 flat angles P-C4'-P energy: -2.339 tors. eta vs tors. theta energy: -3.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 244 Temperature: 1.250000 Total energy: -28.115351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.115351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.115351 (E_RNA) where: Base-Base interactions energy: -11.360 where: short stacking energy: -11.360 Base-Backbone interact. energy: -0.000 local terms energy: -16.755356 where: bonds (distance) C4'-P energy: -2.816 bonds (distance) P-C4' energy: -4.004 flat angles C4'-P-C4' energy: -1.817 flat angles P-C4'-P energy: -2.025 tors. eta vs tors. theta energy: -6.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 244 Temperature: 1.300000 Total energy: -26.566384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.566384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.566384 (E_RNA) where: Base-Base interactions energy: -7.004 where: short stacking energy: -7.004 Base-Backbone interact. energy: -0.072 local terms energy: -19.490298 where: bonds (distance) C4'-P energy: -4.248 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -3.553 flat angles P-C4'-P energy: -4.276 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: 10, replica: 8 ===================================== Write number: 244 Temperature: 1.350000 Total energy: -23.564258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.564258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.564258 (E_RNA) where: Base-Base interactions energy: -5.515 where: short stacking energy: -5.515 Base-Backbone interact. energy: -0.019 local terms energy: -18.030781 where: bonds (distance) C4'-P energy: -2.737 bonds (distance) P-C4' energy: -4.381 flat angles C4'-P-C4' energy: -3.796 flat angles P-C4'-P energy: -3.568 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: 1, replica: 6 ===================================== Write number: 245 Temperature: 0.900000 Total energy: -31.789444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.789444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.789444 (E_RNA) where: Base-Base interactions energy: -12.051 where: short stacking energy: -12.051 Base-Backbone interact. energy: -0.002 local terms energy: -19.736241 where: bonds (distance) C4'-P energy: -4.529 bonds (distance) P-C4' energy: -4.642 flat angles C4'-P-C4' energy: -5.815 flat angles P-C4'-P energy: -2.760 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: 2, replica: 7 ===================================== Write number: 245 Temperature: 0.950000 Total energy: -36.720240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.720240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.720240 (E_RNA) where: Base-Base interactions energy: -13.669 where: short stacking energy: -13.669 Base-Backbone interact. energy: -0.000 local terms energy: -23.051449 where: bonds (distance) C4'-P energy: -5.097 bonds (distance) P-C4' energy: -3.190 flat angles C4'-P-C4' energy: -5.308 flat angles P-C4'-P energy: -3.717 tors. eta vs tors. theta energy: -5.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 245 Temperature: 1.000000 Total energy: -28.899697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.899697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.899697 (E_RNA) where: Base-Base interactions energy: -10.087 where: short stacking energy: -10.087 Base-Backbone interact. energy: -0.001 local terms energy: -18.811845 where: bonds (distance) C4'-P energy: -3.279 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -5.182 flat angles P-C4'-P energy: -3.572 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: 4, replica: 4 ===================================== Write number: 245 Temperature: 1.050000 Total energy: -35.241420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.241420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.241420 (E_RNA) where: Base-Base interactions energy: -13.443 where: short stacking energy: -13.443 Base-Backbone interact. energy: -0.000 local terms energy: -21.798369 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -4.227 flat angles C4'-P-C4' energy: -4.977 flat angles P-C4'-P energy: -2.307 tors. eta vs tors. theta energy: -5.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 245 Temperature: 1.100000 Total energy: -29.666855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.666855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.666855 (E_RNA) where: Base-Base interactions energy: -8.806 where: short stacking energy: -8.806 Base-Backbone interact. energy: -0.058 local terms energy: -20.802762 where: bonds (distance) C4'-P energy: -4.021 bonds (distance) P-C4' energy: -5.522 flat angles C4'-P-C4' energy: -4.726 flat angles P-C4'-P energy: -3.691 tors. eta vs tors. theta energy: -2.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 245 Temperature: 1.150000 Total energy: -34.045382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.045382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.045382 (E_RNA) where: Base-Base interactions energy: -14.464 where: short stacking energy: -14.464 Base-Backbone interact. energy: -0.000 local terms energy: -19.581682 where: bonds (distance) C4'-P energy: -2.585 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.348 flat angles P-C4'-P energy: -2.660 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: 7, replica: 10 ===================================== Write number: 245 Temperature: 1.200000 Total energy: -29.910209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.910209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.910209 (E_RNA) where: Base-Base interactions energy: -11.407 where: short stacking energy: -11.407 Base-Backbone interact. energy: -0.000 local terms energy: -18.503365 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -3.755 flat angles C4'-P-C4' energy: -4.852 flat angles P-C4'-P energy: -2.990 tors. eta vs tors. theta energy: -2.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 245 Temperature: 1.250000 Total energy: -27.746874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.746874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.746874 (E_RNA) where: Base-Base interactions energy: -9.143 where: short stacking energy: -9.143 Base-Backbone interact. energy: -0.000 local terms energy: -18.603719 where: bonds (distance) C4'-P energy: -3.297 bonds (distance) P-C4' energy: -5.234 flat angles C4'-P-C4' energy: -4.659 flat angles P-C4'-P energy: -2.204 tors. eta vs tors. theta energy: -3.211 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: 5 ===================================== Write number: 245 Temperature: 1.300000 Total energy: -30.288943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.288943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.288943 (E_RNA) where: Base-Base interactions energy: -9.623 where: short stacking energy: -9.623 Base-Backbone interact. energy: -0.002 local terms energy: -20.663307 where: bonds (distance) C4'-P energy: -4.306 bonds (distance) P-C4' energy: -5.467 flat angles C4'-P-C4' energy: -5.661 flat angles P-C4'-P energy: -1.672 tors. eta vs tors. theta energy: -3.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 245 Temperature: 1.350000 Total energy: -27.558822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.558822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.558822 (E_RNA) where: Base-Base interactions energy: -10.807 where: short stacking energy: -10.807 Base-Backbone interact. energy: -0.000 local terms energy: -16.752196 where: bonds (distance) C4'-P energy: -2.303 bonds (distance) P-C4' energy: -4.452 flat angles C4'-P-C4' energy: -4.557 flat angles P-C4'-P energy: -3.034 tors. eta vs tors. theta energy: -2.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 246 Temperature: 0.900000 Total energy: -36.419231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.419231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.419231 (E_RNA) where: Base-Base interactions energy: -16.041 where: short stacking energy: -16.041 Base-Backbone interact. energy: -0.001 local terms energy: -20.376571 where: bonds (distance) C4'-P energy: -4.315 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -5.084 flat angles P-C4'-P energy: -3.373 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: 2, replica: 6 ===================================== Write number: 246 Temperature: 0.950000 Total energy: -30.069520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.069520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.069520 (E_RNA) where: Base-Base interactions energy: -7.271 where: short stacking energy: -7.271 Base-Backbone interact. energy: -0.000 local terms energy: -22.798618 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -5.029 flat angles P-C4'-P energy: -4.483 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: 4 ===================================== Write number: 246 Temperature: 1.000000 Total energy: -35.202210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.202210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.202210 (E_RNA) where: Base-Base interactions energy: -14.767 where: short stacking energy: -14.767 Base-Backbone interact. energy: -0.025 local terms energy: -20.409834 where: bonds (distance) C4'-P energy: -4.637 bonds (distance) P-C4' energy: -4.252 flat angles C4'-P-C4' energy: -5.643 flat angles P-C4'-P energy: -2.808 tors. eta vs tors. theta energy: -3.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 246 Temperature: 1.050000 Total energy: -30.678647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.678647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.678647 (E_RNA) where: Base-Base interactions energy: -8.868 where: short stacking energy: -8.868 Base-Backbone interact. energy: -0.000 local terms energy: -21.810586 where: bonds (distance) C4'-P energy: -3.508 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -4.340 flat angles P-C4'-P energy: -4.205 tors. eta vs tors. theta energy: -4.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 246 Temperature: 1.100000 Total energy: -30.497102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.497102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.497102 (E_RNA) where: Base-Base interactions energy: -11.671 where: short stacking energy: -11.671 Base-Backbone interact. energy: -0.000 local terms energy: -18.825707 where: bonds (distance) C4'-P energy: -3.648 bonds (distance) P-C4' energy: -5.231 flat angles C4'-P-C4' energy: -3.628 flat angles P-C4'-P energy: -3.860 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: 6, replica: 2 ===================================== Write number: 246 Temperature: 1.150000 Total energy: -28.464857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.464857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.464857 (E_RNA) where: Base-Base interactions energy: -10.534 where: short stacking energy: -10.534 Base-Backbone interact. energy: -0.000 local terms energy: -17.930662 where: bonds (distance) C4'-P energy: -4.066 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.749 flat angles P-C4'-P energy: -3.198 tors. eta vs tors. theta energy: -0.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 246 Temperature: 1.200000 Total energy: -28.564764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.564764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.564764 (E_RNA) where: Base-Base interactions energy: -10.258 where: short stacking energy: -10.258 Base-Backbone interact. energy: -0.000 local terms energy: -18.306497 where: bonds (distance) C4'-P energy: -4.493 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -4.045 flat angles P-C4'-P energy: -1.540 tors. eta vs tors. theta energy: -2.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 246 Temperature: 1.250000 Total energy: -24.069935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.069935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.069935 (E_RNA) where: Base-Base interactions energy: -5.501 where: short stacking energy: -5.501 Base-Backbone interact. energy: -0.052 local terms energy: -18.516678 where: bonds (distance) C4'-P energy: -4.397 bonds (distance) P-C4' energy: -4.215 flat angles C4'-P-C4' energy: -5.466 flat angles P-C4'-P energy: -1.578 tors. eta vs tors. theta energy: -2.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 246 Temperature: 1.300000 Total energy: -26.622714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.622714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.622714 (E_RNA) where: Base-Base interactions energy: -9.527 where: short stacking energy: -9.527 Base-Backbone interact. energy: -0.001 local terms energy: -17.094808 where: bonds (distance) C4'-P energy: -2.906 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -5.111 flat angles P-C4'-P energy: -2.879 tors. eta vs tors. theta energy: -0.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 246 Temperature: 1.350000 Total energy: -28.274856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.274856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.274856 (E_RNA) where: Base-Base interactions energy: -10.571 where: short stacking energy: -10.571 Base-Backbone interact. energy: -0.002 local terms energy: -17.701809 where: bonds (distance) C4'-P energy: -2.941 bonds (distance) P-C4' energy: -5.065 flat angles C4'-P-C4' energy: -3.898 flat angles P-C4'-P energy: -3.590 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: 7 ===================================== Write number: 247 Temperature: 0.900000 Total energy: -35.137577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.137577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.137577 (E_RNA) where: Base-Base interactions energy: -11.218 where: short stacking energy: -11.218 Base-Backbone interact. energy: -0.000 local terms energy: -23.919876 where: bonds (distance) C4'-P energy: -3.127 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -4.768 flat angles P-C4'-P energy: -4.091 tors. eta vs tors. theta energy: -6.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 247 Temperature: 0.950000 Total energy: -35.848261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.848261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.848261 (E_RNA) where: Base-Base interactions energy: -13.900 where: short stacking energy: -13.900 Base-Backbone interact. energy: -0.000 local terms energy: -21.947926 where: bonds (distance) C4'-P energy: -3.545 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -5.152 flat angles P-C4'-P energy: -4.257 tors. eta vs tors. theta energy: -3.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 247 Temperature: 1.000000 Total energy: -35.870028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.870028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.870028 (E_RNA) where: Base-Base interactions energy: -13.412 where: short stacking energy: -13.412 Base-Backbone interact. energy: -0.000 local terms energy: -22.457575 where: bonds (distance) C4'-P energy: -4.140 bonds (distance) P-C4' energy: -5.233 flat angles C4'-P-C4' energy: -5.024 flat angles P-C4'-P energy: -3.471 tors. eta vs tors. theta energy: -4.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 247 Temperature: 1.050000 Total energy: -28.909940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.909940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.909940 (E_RNA) where: Base-Base interactions energy: -11.490 where: short stacking energy: -11.541 Base-Backbone interact. energy: -0.010 local terms energy: -17.409250 where: bonds (distance) C4'-P energy: -4.645 bonds (distance) P-C4' energy: -5.072 flat angles C4'-P-C4' energy: -5.425 flat angles P-C4'-P energy: -2.052 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: 5, replica: 9 ===================================== Write number: 247 Temperature: 1.100000 Total energy: -31.418894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.418894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.418894 (E_RNA) where: Base-Base interactions energy: -12.627 where: short stacking energy: -12.627 Base-Backbone interact. energy: -0.000 local terms energy: -18.791695 where: bonds (distance) C4'-P energy: -3.942 bonds (distance) P-C4' energy: -5.783 flat angles C4'-P-C4' energy: -1.416 flat angles P-C4'-P energy: -4.871 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: 6, replica: 1 ===================================== Write number: 247 Temperature: 1.150000 Total energy: -31.442609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.442609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.442609 (E_RNA) where: Base-Base interactions energy: -10.071 where: short stacking energy: -10.071 Base-Backbone interact. energy: -0.000 local terms energy: -21.371867 where: bonds (distance) C4'-P energy: -2.327 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -5.363 flat angles P-C4'-P energy: -3.810 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: 7, replica: 2 ===================================== Write number: 247 Temperature: 1.200000 Total energy: -28.748507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.748507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.748507 (E_RNA) where: Base-Base interactions energy: -7.680 where: short stacking energy: -7.680 Base-Backbone interact. energy: -0.000 local terms energy: -21.068652 where: bonds (distance) C4'-P energy: -5.089 bonds (distance) P-C4' energy: -4.835 flat angles C4'-P-C4' energy: -4.166 flat angles P-C4'-P energy: -2.657 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: 8, replica: 5 ===================================== Write number: 247 Temperature: 1.250000 Total energy: -30.184860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.184860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.184860 (E_RNA) where: Base-Base interactions energy: -10.166 where: short stacking energy: -10.166 Base-Backbone interact. energy: -0.000 local terms energy: -20.019236 where: bonds (distance) C4'-P energy: -2.853 bonds (distance) P-C4' energy: -6.256 flat angles C4'-P-C4' energy: -5.612 flat angles P-C4'-P energy: -3.533 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: 9, replica: 10 ===================================== Write number: 247 Temperature: 1.300000 Total energy: -27.685944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.685944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.685944 (E_RNA) where: Base-Base interactions energy: -6.538 where: short stacking energy: -6.538 Base-Backbone interact. energy: -0.139 local terms energy: -21.008335 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -5.764 flat angles P-C4'-P energy: -3.475 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: 10, replica: 8 ===================================== Write number: 247 Temperature: 1.350000 Total energy: -26.651524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.651524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.651524 (E_RNA) where: Base-Base interactions energy: -7.189 where: short stacking energy: -7.189 Base-Backbone interact. energy: -0.000 local terms energy: -19.462177 where: bonds (distance) C4'-P energy: -4.128 bonds (distance) P-C4' energy: -4.706 flat angles C4'-P-C4' energy: -3.840 flat angles P-C4'-P energy: -2.702 tors. eta vs tors. theta energy: -4.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 248 Temperature: 0.900000 Total energy: -34.953054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.953054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.953054 (E_RNA) where: Base-Base interactions energy: -13.287 where: short stacking energy: -13.287 Base-Backbone interact. energy: -0.000 local terms energy: -21.666049 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.927 flat angles P-C4'-P energy: -2.479 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: 2, replica: 7 ===================================== Write number: 248 Temperature: 0.950000 Total energy: -32.372143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.372143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.372143 (E_RNA) where: Base-Base interactions energy: -11.403 where: short stacking energy: -11.403 Base-Backbone interact. energy: -0.003 local terms energy: -20.966052 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.566 flat angles C4'-P-C4' energy: -4.023 flat angles P-C4'-P energy: -3.149 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: 3, replica: 3 ===================================== Write number: 248 Temperature: 1.000000 Total energy: -31.870044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.870044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.870044 (E_RNA) where: Base-Base interactions energy: -11.791 where: short stacking energy: -11.791 Base-Backbone interact. energy: -0.016 local terms energy: -20.063032 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -5.025 flat angles C4'-P-C4' energy: -5.523 flat angles P-C4'-P energy: -3.839 tors. eta vs tors. theta energy: -0.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 248 Temperature: 1.050000 Total energy: -30.790411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.790411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.790411 (E_RNA) where: Base-Base interactions energy: -9.138 where: short stacking energy: -9.138 Base-Backbone interact. energy: -0.000 local terms energy: -21.652514 where: bonds (distance) C4'-P energy: -2.567 bonds (distance) P-C4' energy: -5.783 flat angles C4'-P-C4' energy: -4.921 flat angles P-C4'-P energy: -3.840 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: 5, replica: 1 ===================================== Write number: 248 Temperature: 1.100000 Total energy: -31.501044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.501044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.501044 (E_RNA) where: Base-Base interactions energy: -11.122 where: short stacking energy: -11.122 Base-Backbone interact. energy: -0.000 local terms energy: -20.378994 where: bonds (distance) C4'-P energy: -4.281 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.933 flat angles P-C4'-P energy: -1.857 tors. eta vs tors. theta energy: -3.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 248 Temperature: 1.150000 Total energy: -27.739081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.739081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.739081 (E_RNA) where: Base-Base interactions energy: -11.327 where: short stacking energy: -11.327 Base-Backbone interact. energy: -0.000 local terms energy: -16.411909 where: bonds (distance) C4'-P energy: -2.654 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.638 flat angles P-C4'-P energy: -3.705 tors. eta vs tors. theta energy: 0.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 248 Temperature: 1.200000 Total energy: -25.739857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.739857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.739857 (E_RNA) where: Base-Base interactions energy: -6.273 where: short stacking energy: -6.273 Base-Backbone interact. energy: -0.000 local terms energy: -19.466940 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.498 flat angles C4'-P-C4' energy: -5.587 flat angles P-C4'-P energy: -3.387 tors. eta vs tors. theta energy: -0.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 248 Temperature: 1.250000 Total energy: -27.040683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.040683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.040683 (E_RNA) where: Base-Base interactions energy: -12.320 where: short stacking energy: -12.320 Base-Backbone interact. energy: -0.035 local terms energy: -14.685400 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -4.220 flat angles C4'-P-C4' energy: -2.486 flat angles P-C4'-P energy: -2.042 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: 9, replica: 8 ===================================== Write number: 248 Temperature: 1.300000 Total energy: -29.839848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.839848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.839848 (E_RNA) where: Base-Base interactions energy: -11.778 where: short stacking energy: -11.778 Base-Backbone interact. energy: -0.000 local terms energy: -18.061669 where: bonds (distance) C4'-P energy: -3.337 bonds (distance) P-C4' energy: -3.635 flat angles C4'-P-C4' energy: -4.781 flat angles P-C4'-P energy: -2.558 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: 10, replica: 10 ===================================== Write number: 248 Temperature: 1.350000 Total energy: -23.182563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.182563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.182563 (E_RNA) where: Base-Base interactions energy: -7.760 where: short stacking energy: -7.760 Base-Backbone interact. energy: -0.000 local terms energy: -15.422809 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -5.206 flat angles C4'-P-C4' energy: -0.801 flat angles P-C4'-P energy: -3.351 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: 1, replica: 4 ===================================== Write number: 249 Temperature: 0.900000 Total energy: -35.147637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.147637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.147637 (E_RNA) where: Base-Base interactions energy: -16.451 where: short stacking energy: -16.451 Base-Backbone interact. energy: -0.000 local terms energy: -18.696182 where: bonds (distance) C4'-P energy: -3.659 bonds (distance) P-C4' energy: -3.377 flat angles C4'-P-C4' energy: -4.874 flat angles P-C4'-P energy: -1.836 tors. eta vs tors. theta energy: -4.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 249 Temperature: 0.950000 Total energy: -33.522508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.522508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.522508 (E_RNA) where: Base-Base interactions energy: -13.709 where: short stacking energy: -13.709 Base-Backbone interact. energy: -0.000 local terms energy: -19.813661 where: bonds (distance) C4'-P energy: -3.801 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.346 flat angles P-C4'-P energy: -2.651 tors. eta vs tors. theta energy: -3.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 249 Temperature: 1.000000 Total energy: -28.846034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.846034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.846034 (E_RNA) where: Base-Base interactions energy: -10.896 where: short stacking energy: -10.896 Base-Backbone interact. energy: -0.000 local terms energy: -17.950487 where: bonds (distance) C4'-P energy: -4.778 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -4.022 flat angles P-C4'-P energy: -3.050 tors. eta vs tors. theta energy: -0.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 249 Temperature: 1.050000 Total energy: -35.531637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.531637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.531637 (E_RNA) where: Base-Base interactions energy: -14.057 where: short stacking energy: -14.057 Base-Backbone interact. energy: -0.001 local terms energy: -21.473579 where: bonds (distance) C4'-P energy: -2.531 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -5.323 flat angles P-C4'-P energy: -3.577 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: 6 ===================================== Write number: 249 Temperature: 1.100000 Total energy: -28.612677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.612677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.612677 (E_RNA) where: Base-Base interactions energy: -8.235 where: short stacking energy: -8.235 Base-Backbone interact. energy: -0.000 local terms energy: -20.377898 where: bonds (distance) C4'-P energy: -5.089 bonds (distance) P-C4' energy: -4.258 flat angles C4'-P-C4' energy: -4.607 flat angles P-C4'-P energy: -3.842 tors. eta vs tors. theta energy: -2.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 249 Temperature: 1.150000 Total energy: -31.109736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.109736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.109736 (E_RNA) where: Base-Base interactions energy: -10.416 where: short stacking energy: -10.416 Base-Backbone interact. energy: -0.000 local terms energy: -20.693533 where: bonds (distance) C4'-P energy: -4.645 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -4.811 flat angles P-C4'-P energy: -3.866 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: 249 Temperature: 1.200000 Total energy: -23.590071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.590071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.590071 (E_RNA) where: Base-Base interactions energy: -4.473 where: short stacking energy: -4.473 Base-Backbone interact. energy: -0.000 local terms energy: -19.116620 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -5.566 flat angles C4'-P-C4' energy: -4.193 flat angles P-C4'-P energy: -2.846 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: 8, replica: 8 ===================================== Write number: 249 Temperature: 1.250000 Total energy: -24.827085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.827085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.827085 (E_RNA) where: Base-Base interactions energy: -4.466 where: short stacking energy: -4.466 Base-Backbone interact. energy: -0.000 local terms energy: -20.360827 where: bonds (distance) C4'-P energy: -4.219 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -5.024 flat angles P-C4'-P energy: -3.287 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: 9, replica: 2 ===================================== Write number: 249 Temperature: 1.300000 Total energy: -24.989216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.989216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.989216 (E_RNA) where: Base-Base interactions energy: -8.982 where: short stacking energy: -8.982 Base-Backbone interact. energy: -0.000 local terms energy: -16.007434 where: bonds (distance) C4'-P energy: -0.365 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -2.565 flat angles P-C4'-P energy: -3.038 tors. eta vs tors. theta energy: -4.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 249 Temperature: 1.350000 Total energy: -26.088849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.088849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.088849 (E_RNA) where: Base-Base interactions energy: -7.743 where: short stacking energy: -7.743 Base-Backbone interact. energy: -0.002 local terms energy: -18.343527 where: bonds (distance) C4'-P energy: -5.304 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -4.637 flat angles P-C4'-P energy: -3.493 tors. eta vs tors. theta energy: 0.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 250 Temperature: 0.900000 Total energy: -34.259211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.259211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.259211 (E_RNA) where: Base-Base interactions energy: -12.635 where: short stacking energy: -12.635 Base-Backbone interact. energy: -0.000 local terms energy: -21.623774 where: bonds (distance) C4'-P energy: -4.248 bonds (distance) P-C4' energy: -4.872 flat angles C4'-P-C4' energy: -4.745 flat angles P-C4'-P energy: -4.228 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: 2, replica: 4 ===================================== Write number: 250 Temperature: 0.950000 Total energy: -33.351677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.351677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.351677 (E_RNA) where: Base-Base interactions energy: -11.382 where: short stacking energy: -11.382 Base-Backbone interact. energy: -0.375 local terms energy: -21.595067 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -5.391 flat angles P-C4'-P energy: -2.508 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: 3, replica: 3 ===================================== Write number: 250 Temperature: 1.000000 Total energy: -30.397791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.397791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.397791 (E_RNA) where: Base-Base interactions energy: -9.289 where: short stacking energy: -9.289 Base-Backbone interact. energy: -0.054 local terms energy: -21.055233 where: bonds (distance) C4'-P energy: -4.637 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -4.676 flat angles P-C4'-P energy: -2.075 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: 1 ===================================== Write number: 250 Temperature: 1.050000 Total energy: -29.828868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.828868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.828868 (E_RNA) where: Base-Base interactions energy: -10.601 where: short stacking energy: -10.601 Base-Backbone interact. energy: -0.003 local terms energy: -19.224754 where: bonds (distance) C4'-P energy: -4.795 bonds (distance) P-C4' energy: -4.835 flat angles C4'-P-C4' energy: -5.415 flat angles P-C4'-P energy: -3.162 tors. eta vs tors. theta energy: -1.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 250 Temperature: 1.100000 Total energy: -27.155482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.155482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.155482 (E_RNA) where: Base-Base interactions energy: -8.821 where: short stacking energy: -8.821 Base-Backbone interact. energy: -0.070 local terms energy: -18.264163 where: bonds (distance) C4'-P energy: -3.934 bonds (distance) P-C4' energy: -3.991 flat angles C4'-P-C4' energy: -4.335 flat angles P-C4'-P energy: -4.323 tors. eta vs tors. theta energy: -1.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 250 Temperature: 1.150000 Total energy: -28.138023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.138023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.138023 (E_RNA) where: Base-Base interactions energy: -6.538 where: short stacking energy: -6.538 Base-Backbone interact. energy: -0.000 local terms energy: -21.599606 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -4.236 flat angles P-C4'-P energy: -2.892 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: 7, replica: 8 ===================================== Write number: 250 Temperature: 1.200000 Total energy: -28.423326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.423326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.423326 (E_RNA) where: Base-Base interactions energy: -9.019 where: short stacking energy: -9.019 Base-Backbone interact. energy: -0.006 local terms energy: -19.398168 where: bonds (distance) C4'-P energy: -4.451 bonds (distance) P-C4' energy: -5.540 flat angles C4'-P-C4' energy: -4.453 flat angles P-C4'-P energy: -3.605 tors. eta vs tors. theta energy: -1.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 250 Temperature: 1.250000 Total energy: -27.652663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.652663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.652663 (E_RNA) where: Base-Base interactions energy: -10.419 where: short stacking energy: -11.319 Base-Backbone interact. energy: -0.000 local terms energy: -17.233891 where: bonds (distance) C4'-P energy: -1.669 bonds (distance) P-C4' energy: -2.208 flat angles C4'-P-C4' energy: -5.242 flat angles P-C4'-P energy: -3.392 tors. eta vs tors. theta energy: -4.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 250 Temperature: 1.300000 Total energy: -26.439911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.439911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.439911 (E_RNA) where: Base-Base interactions energy: -9.408 where: short stacking energy: -9.408 Base-Backbone interact. energy: -0.000 local terms energy: -17.032301 where: bonds (distance) C4'-P energy: -4.235 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -3.812 flat angles P-C4'-P energy: -2.694 tors. eta vs tors. theta energy: -0.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 250 Temperature: 1.350000 Total energy: -29.090161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.090161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.090161 (E_RNA) where: Base-Base interactions energy: -10.639 where: short stacking energy: -10.639 Base-Backbone interact. energy: -0.000 local terms energy: -18.450792 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -5.283 flat angles C4'-P-C4' energy: -4.876 flat angles P-C4'-P energy: -0.984 tors. eta vs tors. theta energy: -2.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 251 Temperature: 0.900000 Total energy: -31.473913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.473913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.473913 (E_RNA) where: Base-Base interactions energy: -10.964 where: short stacking energy: -10.964 Base-Backbone interact. energy: -0.078 local terms energy: -20.432295 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -4.815 flat angles P-C4'-P energy: -4.021 tors. eta vs tors. theta energy: -1.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 251 Temperature: 0.950000 Total energy: -30.889220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.889220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.889220 (E_RNA) where: Base-Base interactions energy: -11.307 where: short stacking energy: -11.307 Base-Backbone interact. energy: -0.004 local terms energy: -19.577684 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -4.942 flat angles C4'-P-C4' energy: -3.964 flat angles P-C4'-P energy: -3.703 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: 3, replica: 4 ===================================== Write number: 251 Temperature: 1.000000 Total energy: -35.630942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.630942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.630942 (E_RNA) where: Base-Base interactions energy: -11.632 where: short stacking energy: -11.632 Base-Backbone interact. energy: -0.000 local terms energy: -23.998731 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -4.642 flat angles C4'-P-C4' energy: -5.241 flat angles P-C4'-P energy: -4.191 tors. eta vs tors. theta energy: -4.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 251 Temperature: 1.050000 Total energy: -31.435752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.435752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.435752 (E_RNA) where: Base-Base interactions energy: -8.197 where: short stacking energy: -8.197 Base-Backbone interact. energy: -0.001 local terms energy: -23.238572 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.556 flat angles P-C4'-P energy: -3.746 tors. eta vs tors. theta energy: -2.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 251 Temperature: 1.100000 Total energy: -32.056178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.056178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.056178 (E_RNA) where: Base-Base interactions energy: -11.727 where: short stacking energy: -11.727 Base-Backbone interact. energy: -0.000 local terms energy: -20.328764 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -4.709 flat angles C4'-P-C4' energy: -4.950 flat angles P-C4'-P energy: -2.535 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: 6, replica: 8 ===================================== Write number: 251 Temperature: 1.150000 Total energy: -27.290753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.290753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.290753 (E_RNA) where: Base-Base interactions energy: -7.659 where: short stacking energy: -7.659 Base-Backbone interact. energy: -0.001 local terms energy: -19.631156 where: bonds (distance) C4'-P energy: -2.691 bonds (distance) P-C4' energy: -5.305 flat angles C4'-P-C4' energy: -4.714 flat angles P-C4'-P energy: -2.971 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: 6 ===================================== Write number: 251 Temperature: 1.200000 Total energy: -26.516761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.516761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.516761 (E_RNA) where: Base-Base interactions energy: -8.234 where: short stacking energy: -6.959 Base-Backbone interact. energy: -0.062 local terms energy: -18.220262 where: bonds (distance) C4'-P energy: -2.948 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.493 flat angles P-C4'-P energy: -2.990 tors. eta vs tors. theta energy: -1.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 251 Temperature: 1.250000 Total energy: -28.020669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.020669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.020669 (E_RNA) where: Base-Base interactions energy: -9.652 where: short stacking energy: -9.652 Base-Backbone interact. energy: -0.000 local terms energy: -18.368423 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -3.712 flat angles C4'-P-C4' energy: -3.998 flat angles P-C4'-P energy: -3.421 tors. eta vs tors. theta energy: -1.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 251 Temperature: 1.300000 Total energy: -25.962251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.962251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.962251 (E_RNA) where: Base-Base interactions energy: -5.412 where: short stacking energy: -5.412 Base-Backbone interact. energy: -0.029 local terms energy: -20.520993 where: bonds (distance) C4'-P energy: -5.159 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.931 flat angles P-C4'-P energy: -4.608 tors. eta vs tors. theta energy: 0.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 251 Temperature: 1.350000 Total energy: -25.653917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.653917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.653917 (E_RNA) where: Base-Base interactions energy: -8.049 where: short stacking energy: -8.049 Base-Backbone interact. energy: -0.000 local terms energy: -17.605209 where: bonds (distance) C4'-P energy: -3.536 bonds (distance) P-C4' energy: -5.491 flat angles C4'-P-C4' energy: -4.251 flat angles P-C4'-P energy: -2.792 tors. eta vs tors. theta energy: -1.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 252 Temperature: 0.900000 Total energy: -37.401575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.401575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.401575 (E_RNA) where: Base-Base interactions energy: -13.863 where: short stacking energy: -13.863 Base-Backbone interact. energy: -0.000 local terms energy: -23.538215 where: bonds (distance) C4'-P energy: -4.778 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -4.917 flat angles P-C4'-P energy: -3.989 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: 2, replica: 7 ===================================== Write number: 252 Temperature: 0.950000 Total energy: -28.109135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.109135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.109135 (E_RNA) where: Base-Base interactions energy: -7.350 where: short stacking energy: -7.350 Base-Backbone interact. energy: -0.089 local terms energy: -20.669928 where: bonds (distance) C4'-P energy: -3.552 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -5.662 flat angles P-C4'-P energy: -4.724 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: 3, replica: 1 ===================================== Write number: 252 Temperature: 1.000000 Total energy: -37.270930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.270930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.270930 (E_RNA) where: Base-Base interactions energy: -13.605 where: short stacking energy: -13.605 Base-Backbone interact. energy: -0.000 local terms energy: -23.665576 where: bonds (distance) C4'-P energy: -4.744 bonds (distance) P-C4' energy: -4.672 flat angles C4'-P-C4' energy: -4.781 flat angles P-C4'-P energy: -4.262 tors. eta vs tors. theta energy: -5.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 252 Temperature: 1.050000 Total energy: -36.607071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.607071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.607071 (E_RNA) where: Base-Base interactions energy: -15.195 where: short stacking energy: -15.195 Base-Backbone interact. energy: -0.000 local terms energy: -21.411784 where: bonds (distance) C4'-P energy: -2.807 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.272 flat angles P-C4'-P energy: -2.073 tors. eta vs tors. theta energy: -6.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 252 Temperature: 1.100000 Total energy: -31.026269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.026269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.026269 (E_RNA) where: Base-Base interactions energy: -10.563 where: short stacking energy: -10.563 Base-Backbone interact. energy: -0.001 local terms energy: -20.462314 where: bonds (distance) C4'-P energy: -4.716 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -3.047 flat angles P-C4'-P energy: -2.755 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: 6, replica: 5 ===================================== Write number: 252 Temperature: 1.150000 Total energy: -28.563923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.563923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.563923 (E_RNA) where: Base-Base interactions energy: -9.259 where: short stacking energy: -9.259 Base-Backbone interact. energy: -0.000 local terms energy: -19.304852 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -4.780 flat angles C4'-P-C4' energy: -5.026 flat angles P-C4'-P energy: -1.210 tors. eta vs tors. theta energy: -2.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 252 Temperature: 1.200000 Total energy: -29.015921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.015921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.015921 (E_RNA) where: Base-Base interactions energy: -8.890 where: short stacking energy: -8.890 Base-Backbone interact. energy: -0.000 local terms energy: -20.125420 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -2.142 flat angles P-C4'-P energy: -3.105 tors. eta vs tors. theta energy: -3.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 252 Temperature: 1.250000 Total energy: -29.113098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.113098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.113098 (E_RNA) where: Base-Base interactions energy: -9.145 where: short stacking energy: -9.145 Base-Backbone interact. energy: -0.004 local terms energy: -19.964706 where: bonds (distance) C4'-P energy: -2.194 bonds (distance) P-C4' energy: -5.494 flat angles C4'-P-C4' energy: -5.181 flat angles P-C4'-P energy: -3.394 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: 9, replica: 2 ===================================== Write number: 252 Temperature: 1.300000 Total energy: -31.594850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.594850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.594850 (E_RNA) where: Base-Base interactions energy: -10.704 where: short stacking energy: -10.704 Base-Backbone interact. energy: -0.000 local terms energy: -20.890651 where: bonds (distance) C4'-P energy: -4.335 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -4.791 flat angles P-C4'-P energy: -2.982 tors. eta vs tors. theta energy: -3.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 252 Temperature: 1.350000 Total energy: -30.770124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.770124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.770124 (E_RNA) where: Base-Base interactions energy: -8.221 where: short stacking energy: -8.221 Base-Backbone interact. energy: -0.012 local terms energy: -22.536585 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -5.709 flat angles P-C4'-P energy: -4.154 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: 1, replica: 3 ===================================== Write number: 253 Temperature: 0.900000 Total energy: -34.638487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.638487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.638487 (E_RNA) where: Base-Base interactions energy: -15.028 where: short stacking energy: -15.170 Base-Backbone interact. energy: -0.001 local terms energy: -19.609966 where: bonds (distance) C4'-P energy: -4.169 bonds (distance) P-C4' energy: -5.237 flat angles C4'-P-C4' energy: -2.823 flat angles P-C4'-P energy: -3.422 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: 2, replica: 1 ===================================== Write number: 253 Temperature: 0.950000 Total energy: -34.082185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.082185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.082185 (E_RNA) where: Base-Base interactions energy: -11.164 where: short stacking energy: -11.164 Base-Backbone interact. energy: -0.000 local terms energy: -22.917862 where: bonds (distance) C4'-P energy: -4.103 bonds (distance) P-C4' energy: -5.100 flat angles C4'-P-C4' energy: -5.299 flat angles P-C4'-P energy: -4.639 tors. eta vs tors. theta energy: -3.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 253 Temperature: 1.000000 Total energy: -28.006420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.006420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.006420 (E_RNA) where: Base-Base interactions energy: -6.991 where: short stacking energy: -6.991 Base-Backbone interact. energy: -0.001 local terms energy: -21.014511 where: bonds (distance) C4'-P energy: -4.405 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.886 flat angles P-C4'-P energy: -4.720 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: 4, replica: 8 ===================================== Write number: 253 Temperature: 1.050000 Total energy: -34.111309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.111309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.111309 (E_RNA) where: Base-Base interactions energy: -12.590 where: short stacking energy: -12.590 Base-Backbone interact. energy: -0.032 local terms energy: -21.490259 where: bonds (distance) C4'-P energy: -4.840 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -3.498 flat angles P-C4'-P energy: -3.409 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: 4 ===================================== Write number: 253 Temperature: 1.100000 Total energy: -30.410821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.410821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.410821 (E_RNA) where: Base-Base interactions energy: -10.190 where: short stacking energy: -10.190 Base-Backbone interact. energy: -0.000 local terms energy: -20.220618 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -3.169 flat angles C4'-P-C4' energy: -5.167 flat angles P-C4'-P energy: -3.852 tors. eta vs tors. theta energy: -2.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 253 Temperature: 1.150000 Total energy: -33.055967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.055967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.055967 (E_RNA) where: Base-Base interactions energy: -12.155 where: short stacking energy: -12.155 Base-Backbone interact. energy: -0.000 local terms energy: -20.900817 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -5.001 flat angles C4'-P-C4' energy: -4.831 flat angles P-C4'-P energy: -2.939 tors. eta vs tors. theta energy: -3.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 253 Temperature: 1.200000 Total energy: -24.236913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.236913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.236913 (E_RNA) where: Base-Base interactions energy: -5.700 where: short stacking energy: -5.658 Base-Backbone interact. energy: -0.000 local terms energy: -18.536696 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -4.939 flat angles C4'-P-C4' energy: -3.790 flat angles P-C4'-P energy: -2.573 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: 2 ===================================== Write number: 253 Temperature: 1.250000 Total energy: -30.664883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.664883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.664883 (E_RNA) where: Base-Base interactions energy: -14.051 where: short stacking energy: -14.051 Base-Backbone interact. energy: -0.000 local terms energy: -16.614267 where: bonds (distance) C4'-P energy: -2.762 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -2.897 flat angles P-C4'-P energy: -1.743 tors. eta vs tors. theta energy: -3.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 253 Temperature: 1.300000 Total energy: -25.614948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.614948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.614948 (E_RNA) where: Base-Base interactions energy: -10.901 where: short stacking energy: -10.901 Base-Backbone interact. energy: -0.029 local terms energy: -14.684790 where: bonds (distance) C4'-P energy: -3.830 bonds (distance) P-C4' energy: -3.752 flat angles C4'-P-C4' energy: -4.286 flat angles P-C4'-P energy: -1.824 tors. eta vs tors. theta energy: -0.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 253 Temperature: 1.350000 Total energy: -22.539884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.539884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.539884 (E_RNA) where: Base-Base interactions energy: -6.570 where: short stacking energy: -6.570 Base-Backbone interact. energy: -0.017 local terms energy: -15.952759 where: bonds (distance) C4'-P energy: -4.637 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -3.785 flat angles P-C4'-P energy: -1.662 tors. eta vs tors. theta energy: -0.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 254 Temperature: 0.900000 Total energy: -33.151233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.151233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.151233 (E_RNA) where: Base-Base interactions energy: -12.154 where: short stacking energy: -12.154 Base-Backbone interact. energy: -0.000 local terms energy: -20.997302 where: bonds (distance) C4'-P energy: -4.778 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -3.559 flat angles P-C4'-P energy: -1.942 tors. eta vs tors. theta energy: -4.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 254 Temperature: 0.950000 Total energy: -32.843205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.843205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.843205 (E_RNA) where: Base-Base interactions energy: -12.588 where: short stacking energy: -12.588 Base-Backbone interact. energy: -0.000 local terms energy: -20.254617 where: bonds (distance) C4'-P energy: -4.219 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.646 flat angles P-C4'-P energy: -3.075 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: 8 ===================================== Write number: 254 Temperature: 1.000000 Total energy: -30.072200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.072200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.072200 (E_RNA) where: Base-Base interactions energy: -12.204 where: short stacking energy: -12.204 Base-Backbone interact. energy: -0.000 local terms energy: -17.867722 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -3.345 flat angles P-C4'-P energy: -1.652 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: 4, replica: 7 ===================================== Write number: 254 Temperature: 1.050000 Total energy: -36.099359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.099359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.099359 (E_RNA) where: Base-Base interactions energy: -13.183 where: short stacking energy: -13.183 Base-Backbone interact. energy: -0.091 local terms energy: -22.824782 where: bonds (distance) C4'-P energy: -4.654 bonds (distance) P-C4' energy: -4.935 flat angles C4'-P-C4' energy: -5.353 flat angles P-C4'-P energy: -3.655 tors. eta vs tors. theta energy: -4.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 254 Temperature: 1.100000 Total energy: -35.385831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.385831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.385831 (E_RNA) where: Base-Base interactions energy: -11.942 where: short stacking energy: -11.942 Base-Backbone interact. energy: -0.008 local terms energy: -23.436599 where: bonds (distance) C4'-P energy: -5.010 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -5.080 flat angles P-C4'-P energy: -3.545 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: 6, replica: 4 ===================================== Write number: 254 Temperature: 1.150000 Total energy: -28.077134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.077134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.077134 (E_RNA) where: Base-Base interactions energy: -9.471 where: short stacking energy: -9.471 Base-Backbone interact. energy: -0.003 local terms energy: -18.602635 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -4.007 flat angles P-C4'-P energy: -3.410 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: 7, replica: 2 ===================================== Write number: 254 Temperature: 1.200000 Total energy: -23.316705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.316705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.316705 (E_RNA) where: Base-Base interactions energy: -5.561 where: short stacking energy: -5.561 Base-Backbone interact. energy: -0.000 local terms energy: -17.755971 where: bonds (distance) C4'-P energy: -4.430 bonds (distance) P-C4' energy: -4.811 flat angles C4'-P-C4' energy: -2.830 flat angles P-C4'-P energy: -2.876 tors. eta vs tors. theta energy: -2.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 254 Temperature: 1.250000 Total energy: -28.031141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.031141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.031141 (E_RNA) where: Base-Base interactions energy: -10.098 where: short stacking energy: -10.098 Base-Backbone interact. energy: -0.000 local terms energy: -17.933317 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -4.719 flat angles C4'-P-C4' energy: -5.087 flat angles P-C4'-P energy: -0.973 tors. eta vs tors. theta energy: -1.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 254 Temperature: 1.300000 Total energy: -29.448615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.448615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.448615 (E_RNA) where: Base-Base interactions energy: -11.811 where: short stacking energy: -11.811 Base-Backbone interact. energy: -0.000 local terms energy: -17.637471 where: bonds (distance) C4'-P energy: -3.243 bonds (distance) P-C4' energy: -4.252 flat angles C4'-P-C4' energy: -4.589 flat angles P-C4'-P energy: -3.111 tors. eta vs tors. theta energy: -2.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 254 Temperature: 1.350000 Total energy: -29.666518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.666518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.666518 (E_RNA) where: Base-Base interactions energy: -10.050 where: short stacking energy: -10.050 Base-Backbone interact. energy: -0.002 local terms energy: -19.615023 where: bonds (distance) C4'-P energy: -4.600 bonds (distance) P-C4' energy: -4.875 flat angles C4'-P-C4' energy: -4.312 flat angles P-C4'-P energy: -4.272 tors. eta vs tors. theta energy: -1.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 255 Temperature: 0.900000 Total energy: -35.727583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.727583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.727583 (E_RNA) where: Base-Base interactions energy: -13.514 where: short stacking energy: -13.514 Base-Backbone interact. energy: -0.000 local terms energy: -22.213702 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -4.212 flat angles C4'-P-C4' energy: -5.359 flat angles P-C4'-P energy: -4.034 tors. eta vs tors. theta energy: -3.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 255 Temperature: 0.950000 Total energy: -30.442172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.442172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.442172 (E_RNA) where: Base-Base interactions energy: -13.138 where: short stacking energy: -13.138 Base-Backbone interact. energy: -0.000 local terms energy: -17.303717 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.234 flat angles C4'-P-C4' energy: -3.759 flat angles P-C4'-P energy: -0.345 tors. eta vs tors. theta energy: -2.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 255 Temperature: 1.000000 Total energy: -30.398334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.398334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.398334 (E_RNA) where: Base-Base interactions energy: -11.302 where: short stacking energy: -11.302 Base-Backbone interact. energy: -0.002 local terms energy: -19.094229 where: bonds (distance) C4'-P energy: -4.173 bonds (distance) P-C4' energy: -5.730 flat angles C4'-P-C4' energy: -3.841 flat angles P-C4'-P energy: -4.420 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: 10 ===================================== Write number: 255 Temperature: 1.050000 Total energy: -35.362131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.362131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.362131 (E_RNA) where: Base-Base interactions energy: -14.404 where: short stacking energy: -14.404 Base-Backbone interact. energy: -0.000 local terms energy: -20.958038 where: bonds (distance) C4'-P energy: -3.892 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -5.261 flat angles P-C4'-P energy: -1.811 tors. eta vs tors. theta energy: -4.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 255 Temperature: 1.100000 Total energy: -32.888404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.888404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.888404 (E_RNA) where: Base-Base interactions energy: -11.039 where: short stacking energy: -11.039 Base-Backbone interact. energy: -0.000 local terms energy: -21.849778 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.041 flat angles P-C4'-P energy: -2.092 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: 6, replica: 2 ===================================== Write number: 255 Temperature: 1.150000 Total energy: -34.660264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.660264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.660264 (E_RNA) where: Base-Base interactions energy: -14.532 where: short stacking energy: -14.532 Base-Backbone interact. energy: -0.001 local terms energy: -20.128047 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -4.702 flat angles C4'-P-C4' energy: -3.790 flat angles P-C4'-P energy: -3.175 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: 4 ===================================== Write number: 255 Temperature: 1.200000 Total energy: -25.992306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.992306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.992306 (E_RNA) where: Base-Base interactions energy: -6.539 where: short stacking energy: -6.539 Base-Backbone interact. energy: -0.157 local terms energy: -19.295996 where: bonds (distance) C4'-P energy: -4.493 bonds (distance) P-C4' energy: -4.776 flat angles C4'-P-C4' energy: -5.014 flat angles P-C4'-P energy: -3.692 tors. eta vs tors. theta energy: -1.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 255 Temperature: 1.250000 Total energy: -27.937201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.937201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.937201 (E_RNA) where: Base-Base interactions energy: -8.277 where: short stacking energy: -8.277 Base-Backbone interact. energy: -0.047 local terms energy: -19.613450 where: bonds (distance) C4'-P energy: -4.600 bonds (distance) P-C4' energy: -4.445 flat angles C4'-P-C4' energy: -4.441 flat angles P-C4'-P energy: -3.439 tors. eta vs tors. theta energy: -2.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 255 Temperature: 1.300000 Total energy: -26.206187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.206187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.206187 (E_RNA) where: Base-Base interactions energy: -8.399 where: short stacking energy: -8.399 Base-Backbone interact. energy: -0.000 local terms energy: -17.807324 where: bonds (distance) C4'-P energy: -3.809 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.146 flat angles P-C4'-P energy: -4.032 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: 10, replica: 6 ===================================== Write number: 255 Temperature: 1.350000 Total energy: -27.655654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.655654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.655654 (E_RNA) where: Base-Base interactions energy: -10.794 where: short stacking energy: -10.794 Base-Backbone interact. energy: -0.000 local terms energy: -16.861021 where: bonds (distance) C4'-P energy: -4.645 bonds (distance) P-C4' energy: -4.691 flat angles C4'-P-C4' energy: -2.647 flat angles P-C4'-P energy: -2.538 tors. eta vs tors. theta energy: -2.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 256 Temperature: 0.900000 Total energy: -32.308687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.308687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.308687 (E_RNA) where: Base-Base interactions energy: -10.798 where: short stacking energy: -9.108 Base-Backbone interact. energy: -0.009 local terms energy: -21.502224 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.587 flat angles P-C4'-P energy: -4.242 tors. eta vs tors. theta energy: -1.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 256 Temperature: 0.950000 Total energy: -33.535745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.535745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.535745 (E_RNA) where: Base-Base interactions energy: -13.396 where: short stacking energy: -13.396 Base-Backbone interact. energy: -0.000 local terms energy: -20.139596 where: bonds (distance) C4'-P energy: -1.599 bonds (distance) P-C4' energy: -4.811 flat angles C4'-P-C4' energy: -4.207 flat angles P-C4'-P energy: -4.711 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: 3, replica: 10 ===================================== Write number: 256 Temperature: 1.000000 Total energy: -32.056750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.056750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.056750 (E_RNA) where: Base-Base interactions energy: -10.526 where: short stacking energy: -10.526 Base-Backbone interact. energy: -0.000 local terms energy: -21.530602 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -4.452 flat angles C4'-P-C4' energy: -5.801 flat angles P-C4'-P energy: -3.025 tors. eta vs tors. theta energy: -3.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 256 Temperature: 1.050000 Total energy: -31.283654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.283654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.283654 (E_RNA) where: Base-Base interactions energy: -11.288 where: short stacking energy: -11.288 Base-Backbone interact. energy: -0.000 local terms energy: -19.995178 where: bonds (distance) C4'-P energy: -3.528 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -4.007 flat angles P-C4'-P energy: -3.174 tors. eta vs tors. theta energy: -3.531 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: 5, replica: 2 ===================================== Write number: 256 Temperature: 1.100000 Total energy: -27.358217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.358217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.358217 (E_RNA) where: Base-Base interactions energy: -9.351 where: short stacking energy: -9.351 Base-Backbone interact. energy: 0.689 local terms energy: -18.697020 where: bonds (distance) C4'-P energy: -4.289 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -2.804 flat angles P-C4'-P energy: -3.866 tors. eta vs tors. theta energy: -2.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 256 Temperature: 1.150000 Total energy: -27.317429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.317429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.317429 (E_RNA) where: Base-Base interactions energy: -8.393 where: short stacking energy: -8.393 Base-Backbone interact. energy: -0.049 local terms energy: -18.875657 where: bonds (distance) C4'-P energy: -4.725 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -3.723 flat angles P-C4'-P energy: -4.505 tors. eta vs tors. theta energy: -0.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 256 Temperature: 1.200000 Total energy: -27.699544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.699544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.699544 (E_RNA) where: Base-Base interactions energy: -7.583 where: short stacking energy: -7.583 Base-Backbone interact. energy: -0.004 local terms energy: -20.112263 where: bonds (distance) C4'-P energy: -3.809 bonds (distance) P-C4' energy: -5.526 flat angles C4'-P-C4' energy: -4.905 flat angles P-C4'-P energy: -3.818 tors. eta vs tors. theta energy: -2.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 256 Temperature: 1.250000 Total energy: -25.025061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.025061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.025061 (E_RNA) where: Base-Base interactions energy: -8.595 where: short stacking energy: -8.595 Base-Backbone interact. energy: -0.037 local terms energy: -16.393534 where: bonds (distance) C4'-P energy: -2.754 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -3.938 flat angles P-C4'-P energy: -3.403 tors. eta vs tors. theta energy: -0.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 256 Temperature: 1.300000 Total energy: -26.521995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.521995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.521995 (E_RNA) where: Base-Base interactions energy: -6.664 where: short stacking energy: -6.664 Base-Backbone interact. energy: -0.053 local terms energy: -19.804862 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.073 flat angles P-C4'-P energy: -4.730 tors. eta vs tors. theta energy: 0.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 256 Temperature: 1.350000 Total energy: -27.148995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.148995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.148995 (E_RNA) where: Base-Base interactions energy: -10.853 where: short stacking energy: -10.853 Base-Backbone interact. energy: -0.027 local terms energy: -16.269252 where: bonds (distance) C4'-P energy: -3.775 bonds (distance) P-C4' energy: -3.311 flat angles C4'-P-C4' energy: -5.135 flat angles P-C4'-P energy: -2.680 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: 8 ===================================== Write number: 257 Temperature: 0.900000 Total energy: -31.662329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.662329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.662329 (E_RNA) where: Base-Base interactions energy: -10.087 where: short stacking energy: -10.087 Base-Backbone interact. energy: -0.099 local terms energy: -21.475574 where: bonds (distance) C4'-P energy: -4.008 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.866 flat angles P-C4'-P energy: -3.410 tors. eta vs tors. theta energy: -3.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 257 Temperature: 0.950000 Total energy: -31.613651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.613651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.613651 (E_RNA) where: Base-Base interactions energy: -12.067 where: short stacking energy: -12.067 Base-Backbone interact. energy: -0.108 local terms energy: -19.439114 where: bonds (distance) C4'-P energy: -5.275 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -4.004 flat angles P-C4'-P energy: -4.131 tors. eta vs tors. theta energy: -0.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 257 Temperature: 1.000000 Total energy: -36.827290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.827290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.827290 (E_RNA) where: Base-Base interactions energy: -14.358 where: short stacking energy: -14.358 Base-Backbone interact. energy: -0.000 local terms energy: -22.469260 where: bonds (distance) C4'-P energy: -4.513 bonds (distance) P-C4' energy: -5.730 flat angles C4'-P-C4' energy: -5.274 flat angles P-C4'-P energy: -2.657 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: 4, replica: 2 ===================================== Write number: 257 Temperature: 1.050000 Total energy: -31.225639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.225639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.225639 (E_RNA) where: Base-Base interactions energy: -10.461 where: short stacking energy: -10.461 Base-Backbone interact. energy: -0.025 local terms energy: -20.739622 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.516 flat angles P-C4'-P energy: -3.790 tors. eta vs tors. theta energy: -0.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 257 Temperature: 1.100000 Total energy: -29.601733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.601733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.601733 (E_RNA) where: Base-Base interactions energy: -10.043 where: short stacking energy: -10.043 Base-Backbone interact. energy: -0.000 local terms energy: -19.558539 where: bonds (distance) C4'-P energy: -4.778 bonds (distance) P-C4' energy: -5.001 flat angles C4'-P-C4' energy: -4.261 flat angles P-C4'-P energy: -2.721 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: 6, replica: 9 ===================================== Write number: 257 Temperature: 1.150000 Total energy: -27.150069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.150069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.150069 (E_RNA) where: Base-Base interactions energy: -7.976 where: short stacking energy: -7.976 Base-Backbone interact. energy: -0.011 local terms energy: -19.163762 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -4.635 flat angles P-C4'-P energy: -3.440 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: 7, replica: 7 ===================================== Write number: 257 Temperature: 1.200000 Total energy: -23.364320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.364320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.364320 (E_RNA) where: Base-Base interactions energy: -6.026 where: short stacking energy: -6.026 Base-Backbone interact. energy: -0.101 local terms energy: -17.237581 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -4.837 flat angles P-C4'-P energy: -2.834 tors. eta vs tors. theta energy: 0.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 257 Temperature: 1.250000 Total energy: -26.423182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.423182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.423182 (E_RNA) where: Base-Base interactions energy: -8.277 where: short stacking energy: -8.277 Base-Backbone interact. energy: -0.099 local terms energy: -18.046419 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -3.104 flat angles P-C4'-P energy: -3.190 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: 9, replica: 4 ===================================== Write number: 257 Temperature: 1.300000 Total energy: -25.215684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.215684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.215684 (E_RNA) where: Base-Base interactions energy: -4.750 where: short stacking energy: -4.750 Base-Backbone interact. energy: -0.021 local terms energy: -20.444120 where: bonds (distance) C4'-P energy: -2.977 bonds (distance) P-C4' energy: -5.547 flat angles C4'-P-C4' energy: -4.036 flat angles P-C4'-P energy: -4.675 tors. eta vs tors. theta energy: -3.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 257 Temperature: 1.350000 Total energy: -31.895854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.895854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.895854 (E_RNA) where: Base-Base interactions energy: -11.888 where: short stacking energy: -11.888 Base-Backbone interact. energy: -0.092 local terms energy: -19.915218 where: bonds (distance) C4'-P energy: -2.930 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.995 flat angles P-C4'-P energy: -3.869 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: 10 ===================================== Write number: 258 Temperature: 0.900000 Total energy: -35.748953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.748953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.748953 (E_RNA) where: Base-Base interactions energy: -15.981 where: short stacking energy: -15.981 Base-Backbone interact. energy: 0.041 local terms energy: -19.808981 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -4.149 flat angles C4'-P-C4' energy: -5.029 flat angles P-C4'-P energy: -2.797 tors. eta vs tors. theta energy: -3.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 258 Temperature: 0.950000 Total energy: -34.310809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.310809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.310809 (E_RNA) where: Base-Base interactions energy: -12.337 where: short stacking energy: -12.337 Base-Backbone interact. energy: -0.022 local terms energy: -21.952093 where: bonds (distance) C4'-P energy: -4.617 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.878 flat angles P-C4'-P energy: -3.463 tors. eta vs tors. theta energy: -3.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 258 Temperature: 1.000000 Total energy: -26.838744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.838744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.838744 (E_RNA) where: Base-Base interactions energy: -7.871 where: short stacking energy: -7.871 Base-Backbone interact. energy: -0.119 local terms energy: -18.848312 where: bonds (distance) C4'-P energy: -3.834 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -3.755 flat angles P-C4'-P energy: -3.110 tors. eta vs tors. theta energy: -2.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 258 Temperature: 1.050000 Total energy: -31.241792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.241792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.241792 (E_RNA) where: Base-Base interactions energy: -12.324 where: short stacking energy: -12.324 Base-Backbone interact. energy: -0.001 local terms energy: -18.916430 where: bonds (distance) C4'-P energy: -3.189 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -4.659 flat angles P-C4'-P energy: -4.287 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: 5, replica: 9 ===================================== Write number: 258 Temperature: 1.100000 Total energy: -27.570852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.570852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.570852 (E_RNA) where: Base-Base interactions energy: -7.647 where: short stacking energy: -7.647 Base-Backbone interact. energy: -0.000 local terms energy: -19.924296 where: bonds (distance) C4'-P energy: -5.188 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -5.429 flat angles P-C4'-P energy: -2.497 tors. eta vs tors. theta energy: -1.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 258 Temperature: 1.150000 Total energy: -26.347672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.347672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.347672 (E_RNA) where: Base-Base interactions energy: -7.908 where: short stacking energy: -7.908 Base-Backbone interact. energy: -0.000 local terms energy: -18.439424 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -0.979 flat angles P-C4'-P energy: -3.591 tors. eta vs tors. theta energy: -2.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 258 Temperature: 1.200000 Total energy: -28.030857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.030857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.030857 (E_RNA) where: Base-Base interactions energy: -8.322 where: short stacking energy: -8.322 Base-Backbone interact. energy: -0.000 local terms energy: -19.709343 where: bonds (distance) C4'-P energy: -4.725 bonds (distance) P-C4' energy: -4.776 flat angles C4'-P-C4' energy: -4.533 flat angles P-C4'-P energy: -3.508 tors. eta vs tors. theta energy: -2.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 258 Temperature: 1.250000 Total energy: -30.402913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.402913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.402913 (E_RNA) where: Base-Base interactions energy: -7.547 where: short stacking energy: -7.547 Base-Backbone interact. energy: -0.000 local terms energy: -22.856159 where: bonds (distance) C4'-P energy: -4.190 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.218 flat angles P-C4'-P energy: -4.446 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: 9, replica: 5 ===================================== Write number: 258 Temperature: 1.300000 Total energy: -22.265921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.265921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.265921 (E_RNA) where: Base-Base interactions energy: -2.130 where: short stacking energy: -2.130 Base-Backbone interact. energy: 0.123 local terms energy: -20.258534 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.463 flat angles C4'-P-C4' energy: -4.159 flat angles P-C4'-P energy: -4.223 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: 10, replica: 4 ===================================== Write number: 258 Temperature: 1.350000 Total energy: -23.876434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.876434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.876434 (E_RNA) where: Base-Base interactions energy: -3.843 where: short stacking energy: -3.843 Base-Backbone interact. energy: -0.054 local terms energy: -19.979967 where: bonds (distance) C4'-P energy: -4.227 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -4.714 flat angles P-C4'-P energy: -3.636 tors. eta vs tors. theta energy: -1.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 259 Temperature: 0.900000 Total energy: -33.385124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.385124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.385124 (E_RNA) where: Base-Base interactions energy: -12.387 where: short stacking energy: -12.387 Base-Backbone interact. energy: -0.047 local terms energy: -20.950393 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.119 flat angles P-C4'-P energy: -4.420 tors. eta vs tors. theta energy: -0.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 259 Temperature: 0.950000 Total energy: -32.663908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.663908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.663908 (E_RNA) where: Base-Base interactions energy: -11.892 where: short stacking energy: -11.892 Base-Backbone interact. energy: -0.010 local terms energy: -20.762104 where: bonds (distance) C4'-P energy: -5.097 bonds (distance) P-C4' energy: -2.645 flat angles C4'-P-C4' energy: -5.381 flat angles P-C4'-P energy: -3.933 tors. eta vs tors. theta energy: -3.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 259 Temperature: 1.000000 Total energy: -27.441065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.441065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.441065 (E_RNA) where: Base-Base interactions energy: -8.097 where: short stacking energy: -8.097 Base-Backbone interact. energy: -0.002 local terms energy: -19.341553 where: bonds (distance) C4'-P energy: -4.600 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -3.035 flat angles P-C4'-P energy: -4.141 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: 4, replica: 1 ===================================== Write number: 259 Temperature: 1.050000 Total energy: -33.279230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.279230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.279230 (E_RNA) where: Base-Base interactions energy: -12.602 where: short stacking energy: -12.602 Base-Backbone interact. energy: -0.000 local terms energy: -20.677495 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.540 flat angles C4'-P-C4' energy: -4.128 flat angles P-C4'-P energy: -3.615 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: 9 ===================================== Write number: 259 Temperature: 1.100000 Total energy: -30.496975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.496975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.496975 (E_RNA) where: Base-Base interactions energy: -9.691 where: short stacking energy: -9.691 Base-Backbone interact. energy: -0.005 local terms energy: -20.801586 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -5.209 flat angles C4'-P-C4' energy: -5.270 flat angles P-C4'-P energy: -4.096 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: 6, replica: 6 ===================================== Write number: 259 Temperature: 1.150000 Total energy: -31.309167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.309167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.309167 (E_RNA) where: Base-Base interactions energy: -11.296 where: short stacking energy: -11.296 Base-Backbone interact. energy: -0.034 local terms energy: -19.979496 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -4.517 flat angles P-C4'-P energy: -4.265 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: 7, replica: 3 ===================================== Write number: 259 Temperature: 1.200000 Total energy: -31.323127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.323127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.323127 (E_RNA) where: Base-Base interactions energy: -12.169 where: short stacking energy: -12.169 Base-Backbone interact. energy: -0.033 local terms energy: -19.121839 where: bonds (distance) C4'-P energy: -4.413 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -4.597 flat angles P-C4'-P energy: -2.550 tors. eta vs tors. theta energy: -1.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 259 Temperature: 1.250000 Total energy: -25.848927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.848927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.848927 (E_RNA) where: Base-Base interactions energy: -8.216 where: short stacking energy: -8.216 Base-Backbone interact. energy: -0.119 local terms energy: -17.513406 where: bonds (distance) C4'-P energy: -3.420 bonds (distance) P-C4' energy: -4.599 flat angles C4'-P-C4' energy: -4.273 flat angles P-C4'-P energy: -4.037 tors. eta vs tors. theta energy: -1.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 259 Temperature: 1.300000 Total energy: -30.348097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.348097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.348097 (E_RNA) where: Base-Base interactions energy: -11.005 where: short stacking energy: -11.005 Base-Backbone interact. energy: -0.000 local terms energy: -19.343517 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -4.152 flat angles C4'-P-C4' energy: -4.125 flat angles P-C4'-P energy: -3.929 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: 10, replica: 4 ===================================== Write number: 259 Temperature: 1.350000 Total energy: -27.333625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.333625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.333625 (E_RNA) where: Base-Base interactions energy: -9.495 where: short stacking energy: -9.495 Base-Backbone interact. energy: -0.000 local terms energy: -17.838926 where: bonds (distance) C4'-P energy: -4.865 bonds (distance) P-C4' energy: -4.681 flat angles C4'-P-C4' energy: -2.400 flat angles P-C4'-P energy: -3.259 tors. eta vs tors. theta energy: -2.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 260 Temperature: 0.900000 Total energy: -38.783202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.783202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.783202 (E_RNA) where: Base-Base interactions energy: -17.216 where: short stacking energy: -17.216 Base-Backbone interact. energy: -0.000 local terms energy: -21.566596 where: bonds (distance) C4'-P energy: -3.212 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.255 flat angles P-C4'-P energy: -2.586 tors. eta vs tors. theta energy: -4.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 260 Temperature: 0.950000 Total energy: -34.426194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.426194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.426194 (E_RNA) where: Base-Base interactions energy: -11.613 where: short stacking energy: -11.613 Base-Backbone interact. energy: -0.000 local terms energy: -22.812801 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -3.850 flat angles P-C4'-P energy: -4.285 tors. eta vs tors. theta energy: -3.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 260 Temperature: 1.000000 Total energy: -33.039421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.039421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.039421 (E_RNA) where: Base-Base interactions energy: -13.573 where: short stacking energy: -13.573 Base-Backbone interact. energy: -0.087 local terms energy: -19.379209 where: bonds (distance) C4'-P energy: -3.876 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -3.949 flat angles P-C4'-P energy: -3.080 tors. eta vs tors. theta energy: -3.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 260 Temperature: 1.050000 Total energy: -28.958664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.958664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.958664 (E_RNA) where: Base-Base interactions energy: -11.813 where: short stacking energy: -11.813 Base-Backbone interact. energy: -0.005 local terms energy: -17.140972 where: bonds (distance) C4'-P energy: -4.289 bonds (distance) P-C4' energy: -4.776 flat angles C4'-P-C4' energy: -5.145 flat angles P-C4'-P energy: -1.350 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: 5, replica: 6 ===================================== Write number: 260 Temperature: 1.100000 Total energy: -28.642786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.642786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.642786 (E_RNA) where: Base-Base interactions energy: -8.856 where: short stacking energy: -8.856 Base-Backbone interact. energy: -0.000 local terms energy: -19.786159 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.374 flat angles P-C4'-P energy: -2.704 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: 6, replica: 9 ===================================== Write number: 260 Temperature: 1.150000 Total energy: -28.567044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.567044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.567044 (E_RNA) where: Base-Base interactions energy: -11.479 where: short stacking energy: -11.479 Base-Backbone interact. energy: -0.001 local terms energy: -17.087188 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -4.618 flat angles C4'-P-C4' energy: -1.506 flat angles P-C4'-P energy: -4.278 tors. eta vs tors. theta energy: -1.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 260 Temperature: 1.200000 Total energy: -29.629952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.629952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.629952 (E_RNA) where: Base-Base interactions energy: -10.822 where: short stacking energy: -10.822 Base-Backbone interact. energy: -0.000 local terms energy: -18.808202 where: bonds (distance) C4'-P energy: -4.485 bonds (distance) P-C4' energy: -4.706 flat angles C4'-P-C4' energy: -4.281 flat angles P-C4'-P energy: -1.586 tors. eta vs tors. theta energy: -3.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 260 Temperature: 1.250000 Total energy: -22.738931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.738931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.738931 (E_RNA) where: Base-Base interactions energy: -8.561 where: short stacking energy: -8.561 Base-Backbone interact. energy: -0.000 local terms energy: -14.178101 where: bonds (distance) C4'-P energy: -4.095 bonds (distance) P-C4' energy: -3.405 flat angles C4'-P-C4' energy: -5.050 flat angles P-C4'-P energy: -1.483 tors. eta vs tors. theta energy: -0.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 260 Temperature: 1.300000 Total energy: -23.818196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.818196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.818196 (E_RNA) where: Base-Base interactions energy: -8.159 where: short stacking energy: -8.159 Base-Backbone interact. energy: -0.057 local terms energy: -15.601527 where: bonds (distance) C4'-P energy: -2.435 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -3.799 flat angles P-C4'-P energy: -3.601 tors. eta vs tors. theta energy: -0.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 260 Temperature: 1.350000 Total energy: -25.876193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.876193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.876193 (E_RNA) where: Base-Base interactions energy: -8.783 where: short stacking energy: -8.783 Base-Backbone interact. energy: -0.000 local terms energy: -17.092701 where: bonds (distance) C4'-P energy: -3.714 bonds (distance) P-C4' energy: -4.942 flat angles C4'-P-C4' energy: -4.609 flat angles P-C4'-P energy: -3.845 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: 1, replica: 10 ===================================== Write number: 261 Temperature: 0.900000 Total energy: -35.308311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.308311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.308311 (E_RNA) where: Base-Base interactions energy: -12.380 where: short stacking energy: -12.380 Base-Backbone interact. energy: -0.001 local terms energy: -22.928038 where: bonds (distance) C4'-P energy: -4.191 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -3.603 flat angles P-C4'-P energy: -4.760 tors. eta vs tors. theta energy: -4.594 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: 2, replica: 1 ===================================== Write number: 261 Temperature: 0.950000 Total energy: -32.508041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.508041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.508041 (E_RNA) where: Base-Base interactions energy: -11.488 where: short stacking energy: -11.488 Base-Backbone interact. energy: -0.000 local terms energy: -21.019678 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.927 flat angles P-C4'-P energy: -2.705 tors. eta vs tors. theta energy: -2.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 261 Temperature: 1.000000 Total energy: -36.532833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.532833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.532833 (E_RNA) where: Base-Base interactions energy: -11.205 where: short stacking energy: -11.205 Base-Backbone interact. energy: -0.000 local terms energy: -25.327619 where: bonds (distance) C4'-P energy: -3.598 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.255 flat angles P-C4'-P energy: -4.286 tors. eta vs tors. theta energy: -6.200 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: 6 ===================================== Write number: 261 Temperature: 1.050000 Total energy: -31.123721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.123721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.123721 (E_RNA) where: Base-Base interactions energy: -12.293 where: short stacking energy: -12.293 Base-Backbone interact. energy: -0.008 local terms energy: -18.822574 where: bonds (distance) C4'-P energy: -4.645 bonds (distance) P-C4' energy: -5.566 flat angles C4'-P-C4' energy: -5.114 flat angles P-C4'-P energy: -2.677 tors. eta vs tors. theta energy: -0.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 261 Temperature: 1.100000 Total energy: -28.302627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.302627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.302627 (E_RNA) where: Base-Base interactions energy: -7.092 where: short stacking energy: -7.092 Base-Backbone interact. energy: -0.002 local terms energy: -21.208657 where: bonds (distance) C4'-P energy: -5.391 bonds (distance) P-C4' energy: -4.439 flat angles C4'-P-C4' energy: -5.462 flat angles P-C4'-P energy: -3.758 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: 6, replica: 3 ===================================== Write number: 261 Temperature: 1.150000 Total energy: -28.048452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.048452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.048452 (E_RNA) where: Base-Base interactions energy: -9.091 where: short stacking energy: -9.091 Base-Backbone interact. energy: -0.094 local terms energy: -18.863344 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -5.367 flat angles P-C4'-P energy: -1.157 tors. eta vs tors. theta energy: -1.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 261 Temperature: 1.200000 Total energy: -25.422112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.422112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.422112 (E_RNA) where: Base-Base interactions energy: -7.497 where: short stacking energy: -7.497 Base-Backbone interact. energy: -0.000 local terms energy: -17.924902 where: bonds (distance) C4'-P energy: -4.227 bonds (distance) P-C4' energy: -4.642 flat angles C4'-P-C4' energy: -3.944 flat angles P-C4'-P energy: -4.455 tors. eta vs tors. theta energy: -0.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 261 Temperature: 1.250000 Total energy: -28.192245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.192245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.192245 (E_RNA) where: Base-Base interactions energy: -7.704 where: short stacking energy: -7.704 Base-Backbone interact. energy: -0.006 local terms energy: -20.481661 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -4.678 flat angles C4'-P-C4' energy: -4.483 flat angles P-C4'-P energy: -2.993 tors. eta vs tors. theta energy: -3.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 261 Temperature: 1.300000 Total energy: -25.485155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.485155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.485155 (E_RNA) where: Base-Base interactions energy: -7.764 where: short stacking energy: -7.764 Base-Backbone interact. energy: -0.000 local terms energy: -17.720581 where: bonds (distance) C4'-P energy: -2.522 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -4.679 flat angles P-C4'-P energy: -3.555 tors. eta vs tors. theta energy: -1.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 261 Temperature: 1.350000 Total energy: -31.585902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.585902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.585902 (E_RNA) where: Base-Base interactions energy: -13.257 where: short stacking energy: -13.257 Base-Backbone interact. energy: -0.000 local terms energy: -18.329135 where: bonds (distance) C4'-P energy: -2.861 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -3.874 flat angles P-C4'-P energy: -3.406 tors. eta vs tors. theta energy: -3.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 262 Temperature: 0.900000 Total energy: -32.285640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.285640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.285640 (E_RNA) where: Base-Base interactions energy: -11.524 where: short stacking energy: -11.524 Base-Backbone interact. energy: -0.008 local terms energy: -20.753622 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -4.942 flat angles C4'-P-C4' energy: -4.598 flat angles P-C4'-P energy: -3.651 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: 2, replica: 10 ===================================== Write number: 262 Temperature: 0.950000 Total energy: -32.317102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.317102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.317102 (E_RNA) where: Base-Base interactions energy: -12.020 where: short stacking energy: -12.020 Base-Backbone interact. energy: -0.005 local terms energy: -20.292517 where: bonds (distance) C4'-P energy: -4.501 bonds (distance) P-C4' energy: -5.516 flat angles C4'-P-C4' energy: -3.837 flat angles P-C4'-P energy: -3.208 tors. eta vs tors. theta energy: -3.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 262 Temperature: 1.000000 Total energy: -32.369146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.369146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.369146 (E_RNA) where: Base-Base interactions energy: -10.234 where: short stacking energy: -10.234 Base-Backbone interact. energy: -0.000 local terms energy: -22.134936 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -3.666 flat angles C4'-P-C4' energy: -5.098 flat angles P-C4'-P energy: -2.417 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: 4, replica: 6 ===================================== Write number: 262 Temperature: 1.050000 Total energy: -32.521633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.521633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.521633 (E_RNA) where: Base-Base interactions energy: -14.294 where: short stacking energy: -14.294 Base-Backbone interact. energy: 0.014 local terms energy: -18.241653 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -2.210 flat angles C4'-P-C4' energy: -3.170 flat angles P-C4'-P energy: -3.858 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: 5, replica: 3 ===================================== Write number: 262 Temperature: 1.100000 Total energy: -30.789560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.789560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.789560 (E_RNA) where: Base-Base interactions energy: -8.763 where: short stacking energy: -8.763 Base-Backbone interact. energy: -0.000 local terms energy: -22.026354 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -3.314 flat angles C4'-P-C4' energy: -4.507 flat angles P-C4'-P energy: -4.582 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: 6, replica: 8 ===================================== Write number: 262 Temperature: 1.150000 Total energy: -28.430104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.430104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.430104 (E_RNA) where: Base-Base interactions energy: -13.113 where: short stacking energy: -13.113 Base-Backbone interact. energy: -0.000 local terms energy: -15.317450 where: bonds (distance) C4'-P energy: -3.909 bonds (distance) P-C4' energy: -4.423 flat angles C4'-P-C4' energy: -2.301 flat angles P-C4'-P energy: -3.538 tors. eta vs tors. theta energy: -1.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 262 Temperature: 1.200000 Total energy: -28.226120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.226120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.226120 (E_RNA) where: Base-Base interactions energy: -5.901 where: short stacking energy: -5.901 Base-Backbone interact. energy: -0.019 local terms energy: -22.306573 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -4.460 flat angles P-C4'-P energy: -3.550 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: 4 ===================================== Write number: 262 Temperature: 1.250000 Total energy: -26.003188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.003188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.003188 (E_RNA) where: Base-Base interactions energy: -8.310 where: short stacking energy: -8.310 Base-Backbone interact. energy: -0.000 local terms energy: -17.692589 where: bonds (distance) C4'-P energy: -2.589 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -3.610 flat angles P-C4'-P energy: -2.812 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: 9, replica: 7 ===================================== Write number: 262 Temperature: 1.300000 Total energy: -25.761021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.761021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.761021 (E_RNA) where: Base-Base interactions energy: -7.836 where: short stacking energy: -7.836 Base-Backbone interact. energy: -0.098 local terms energy: -17.827201 where: bonds (distance) C4'-P energy: -4.786 bonds (distance) P-C4' energy: -5.305 flat angles C4'-P-C4' energy: -5.455 flat angles P-C4'-P energy: -2.716 tors. eta vs tors. theta energy: 0.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 262 Temperature: 1.350000 Total energy: -23.856339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.856339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.856339 (E_RNA) where: Base-Base interactions energy: -6.412 where: short stacking energy: -6.412 Base-Backbone interact. energy: -0.093 local terms energy: -17.350768 where: bonds (distance) C4'-P energy: -4.485 bonds (distance) P-C4' energy: -4.445 flat angles C4'-P-C4' energy: -4.443 flat angles P-C4'-P energy: -4.008 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: 1, replica: 1 ===================================== Write number: 263 Temperature: 0.900000 Total energy: -37.152507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.152507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.152507 (E_RNA) where: Base-Base interactions energy: -12.947 where: short stacking energy: -12.947 Base-Backbone interact. energy: -0.000 local terms energy: -24.205713 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -5.401 flat angles P-C4'-P energy: -4.789 tors. eta vs tors. theta energy: -3.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 263 Temperature: 0.950000 Total energy: -37.282470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.282470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.282470 (E_RNA) where: Base-Base interactions energy: -12.931 where: short stacking energy: -12.931 Base-Backbone interact. energy: -0.000 local terms energy: -24.351137 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.574 flat angles P-C4'-P energy: -4.128 tors. eta vs tors. theta energy: -3.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 263 Temperature: 1.000000 Total energy: -25.985446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.985446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.985446 (E_RNA) where: Base-Base interactions energy: -8.775 where: short stacking energy: -8.775 Base-Backbone interact. energy: -0.101 local terms energy: -17.109974 where: bonds (distance) C4'-P energy: -4.617 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.790 flat angles P-C4'-P energy: -2.150 tors. eta vs tors. theta energy: 0.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 263 Temperature: 1.050000 Total energy: -33.626309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.626309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.626309 (E_RNA) where: Base-Base interactions energy: -12.543 where: short stacking energy: -12.543 Base-Backbone interact. energy: -0.004 local terms energy: -21.080007 where: bonds (distance) C4'-P energy: -5.089 bonds (distance) P-C4' energy: -5.762 flat angles C4'-P-C4' energy: -3.077 flat angles P-C4'-P energy: -3.542 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: 6 ===================================== Write number: 263 Temperature: 1.100000 Total energy: -28.647647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.647647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.647647 (E_RNA) where: Base-Base interactions energy: -6.810 where: short stacking energy: -6.810 Base-Backbone interact. energy: -0.100 local terms energy: -21.737390 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -5.083 flat angles P-C4'-P energy: -3.753 tors. eta vs tors. theta energy: -2.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 263 Temperature: 1.150000 Total energy: -29.279743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.279743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.279743 (E_RNA) where: Base-Base interactions energy: -10.763 where: short stacking energy: -10.763 Base-Backbone interact. energy: -0.000 local terms energy: -18.516641 where: bonds (distance) C4'-P energy: -2.961 bonds (distance) P-C4' energy: -5.283 flat angles C4'-P-C4' energy: -3.617 flat angles P-C4'-P energy: -2.541 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: 7, replica: 8 ===================================== Write number: 263 Temperature: 1.200000 Total energy: -31.857012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.857012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.857012 (E_RNA) where: Base-Base interactions energy: -11.932 where: short stacking energy: -11.932 Base-Backbone interact. energy: -0.000 local terms energy: -19.925117 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -2.833 flat angles P-C4'-P energy: -2.768 tors. eta vs tors. theta energy: -3.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 263 Temperature: 1.250000 Total energy: -30.111507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.111507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.111507 (E_RNA) where: Base-Base interactions energy: -7.133 where: short stacking energy: -7.133 Base-Backbone interact. energy: -0.000 local terms energy: -22.978400 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -3.534 flat angles P-C4'-P energy: -4.731 tors. eta vs tors. theta energy: -3.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 263 Temperature: 1.300000 Total energy: -24.199434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.199434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.199434 (E_RNA) where: Base-Base interactions energy: -7.487 where: short stacking energy: -7.487 Base-Backbone interact. energy: -0.067 local terms energy: -16.645904 where: bonds (distance) C4'-P energy: -5.126 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -1.769 flat angles P-C4'-P energy: -1.227 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: 10, replica: 5 ===================================== Write number: 263 Temperature: 1.350000 Total energy: -24.179562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.179562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.179562 (E_RNA) where: Base-Base interactions energy: -8.702 where: short stacking energy: -8.702 Base-Backbone interact. energy: -0.001 local terms energy: -15.476487 where: bonds (distance) C4'-P energy: -1.752 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -3.835 flat angles P-C4'-P energy: -3.984 tors. eta vs tors. theta energy: 0.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 264 Temperature: 0.900000 Total energy: -34.430171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.430171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.430171 (E_RNA) where: Base-Base interactions energy: -14.452 where: short stacking energy: -14.452 Base-Backbone interact. energy: -0.000 local terms energy: -19.978170 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.202 flat angles P-C4'-P energy: -0.993 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: 2, replica: 2 ===================================== Write number: 264 Temperature: 0.950000 Total energy: -36.770857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.770857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.770857 (E_RNA) where: Base-Base interactions energy: -13.516 where: short stacking energy: -13.516 Base-Backbone interact. energy: -0.000 local terms energy: -23.254828 where: bonds (distance) C4'-P energy: -4.369 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.874 flat angles P-C4'-P energy: -3.353 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: 3, replica: 3 ===================================== Write number: 264 Temperature: 1.000000 Total energy: -30.359627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.359627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.359627 (E_RNA) where: Base-Base interactions energy: -11.687 where: short stacking energy: -11.687 Base-Backbone interact. energy: -0.002 local terms energy: -18.671361 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -5.566 flat angles C4'-P-C4' energy: -1.099 flat angles P-C4'-P energy: -4.255 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: 4, replica: 10 ===================================== Write number: 264 Temperature: 1.050000 Total energy: -35.385221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.385221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.385221 (E_RNA) where: Base-Base interactions energy: -12.245 where: short stacking energy: -12.245 Base-Backbone interact. energy: -0.000 local terms energy: -23.139954 where: bonds (distance) C4'-P energy: -4.413 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -4.804 flat angles P-C4'-P energy: -4.014 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: 5, replica: 9 ===================================== Write number: 264 Temperature: 1.100000 Total energy: -33.647883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.647883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.647883 (E_RNA) where: Base-Base interactions energy: -12.892 where: short stacking energy: -12.892 Base-Backbone interact. energy: -0.000 local terms energy: -20.756036 where: bonds (distance) C4'-P energy: -3.118 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.310 flat angles P-C4'-P energy: -3.973 tors. eta vs tors. theta energy: -3.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 264 Temperature: 1.150000 Total energy: -30.618060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.618060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.618060 (E_RNA) where: Base-Base interactions energy: -12.739 where: short stacking energy: -12.739 Base-Backbone interact. energy: -0.000 local terms energy: -17.878693 where: bonds (distance) C4'-P energy: -2.895 bonds (distance) P-C4' energy: -5.783 flat angles C4'-P-C4' energy: -4.295 flat angles P-C4'-P energy: -4.009 tors. eta vs tors. theta energy: -0.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 264 Temperature: 1.200000 Total energy: -28.105789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.105789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.105789 (E_RNA) where: Base-Base interactions energy: -8.666 where: short stacking energy: -8.666 Base-Backbone interact. energy: -0.053 local terms energy: -19.386181 where: bonds (distance) C4'-P energy: -3.863 bonds (distance) P-C4' energy: -5.298 flat angles C4'-P-C4' energy: -5.181 flat angles P-C4'-P energy: -1.548 tors. eta vs tors. theta energy: -3.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 264 Temperature: 1.250000 Total energy: -26.208088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.208088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.208088 (E_RNA) where: Base-Base interactions energy: -5.793 where: short stacking energy: -5.793 Base-Backbone interact. energy: -0.123 local terms energy: -20.292051 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.418 flat angles P-C4'-P energy: -3.638 tors. eta vs tors. theta energy: 0.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 264 Temperature: 1.300000 Total energy: -29.599558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.599558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.599558 (E_RNA) where: Base-Base interactions energy: -10.576 where: short stacking energy: -10.576 Base-Backbone interact. energy: -0.058 local terms energy: -18.965386 where: bonds (distance) C4'-P energy: -4.405 bonds (distance) P-C4' energy: -5.566 flat angles C4'-P-C4' energy: -3.911 flat angles P-C4'-P energy: -2.699 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: 10, replica: 4 ===================================== Write number: 264 Temperature: 1.350000 Total energy: -28.512768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.512768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.512768 (E_RNA) where: Base-Base interactions energy: -8.300 where: short stacking energy: -8.300 Base-Backbone interact. energy: -0.000 local terms energy: -20.212971 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.289 flat angles P-C4'-P energy: -3.123 tors. eta vs tors. theta energy: -2.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 265 Temperature: 0.900000 Total energy: -35.964651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.964651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.964651 (E_RNA) where: Base-Base interactions energy: -11.328 where: short stacking energy: -11.328 Base-Backbone interact. energy: -0.000 local terms energy: -24.636325 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -5.402 flat angles P-C4'-P energy: -3.823 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: 2, replica: 3 ===================================== Write number: 265 Temperature: 0.950000 Total energy: -32.332598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.332598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.332598 (E_RNA) where: Base-Base interactions energy: -11.560 where: short stacking energy: -11.560 Base-Backbone interact. energy: -0.001 local terms energy: -20.771848 where: bonds (distance) C4'-P energy: -3.676 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -5.449 flat angles P-C4'-P energy: -3.035 tors. eta vs tors. theta energy: -2.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 265 Temperature: 1.000000 Total energy: -34.065718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.065718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.065718 (E_RNA) where: Base-Base interactions energy: -12.385 where: short stacking energy: -12.385 Base-Backbone interact. energy: -0.000 local terms energy: -21.680588 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -4.839 flat angles C4'-P-C4' energy: -2.862 flat angles P-C4'-P energy: -3.987 tors. eta vs tors. theta energy: -4.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 265 Temperature: 1.050000 Total energy: -29.163931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.163931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.163931 (E_RNA) where: Base-Base interactions energy: -9.733 where: short stacking energy: -10.026 Base-Backbone interact. energy: -0.399 local terms energy: -19.032310 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -2.331 flat angles C4'-P-C4' energy: -3.870 flat angles P-C4'-P energy: -4.077 tors. eta vs tors. theta energy: -3.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 265 Temperature: 1.100000 Total energy: -30.532568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.532568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.532568 (E_RNA) where: Base-Base interactions energy: -11.591 where: short stacking energy: -11.748 Base-Backbone interact. energy: -0.036 local terms energy: -18.904916 where: bonds (distance) C4'-P energy: -4.645 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -3.492 flat angles P-C4'-P energy: -2.104 tors. eta vs tors. theta energy: -2.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 265 Temperature: 1.150000 Total energy: -29.803685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.803685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.803685 (E_RNA) where: Base-Base interactions energy: -12.342 where: short stacking energy: -12.342 Base-Backbone interact. energy: 0.148 local terms energy: -17.609325 where: bonds (distance) C4'-P energy: -2.328 bonds (distance) P-C4' energy: -5.065 flat angles C4'-P-C4' energy: -3.443 flat angles P-C4'-P energy: -4.204 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: 7, replica: 6 ===================================== Write number: 265 Temperature: 1.200000 Total energy: -24.346340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.346340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.346340 (E_RNA) where: Base-Base interactions energy: -9.244 where: short stacking energy: -9.244 Base-Backbone interact. energy: -0.007 local terms energy: -15.096070 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -3.253 flat angles P-C4'-P energy: -2.143 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: 8, replica: 5 ===================================== Write number: 265 Temperature: 1.250000 Total energy: -27.301071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.301071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.301071 (E_RNA) where: Base-Base interactions energy: -9.011 where: short stacking energy: -9.011 Base-Backbone interact. energy: -0.000 local terms energy: -18.289504 where: bonds (distance) C4'-P energy: -4.778 bonds (distance) P-C4' energy: -2.428 flat angles C4'-P-C4' energy: -5.341 flat angles P-C4'-P energy: -4.165 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: 9, replica: 8 ===================================== Write number: 265 Temperature: 1.300000 Total energy: -27.025994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.025994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.025994 (E_RNA) where: Base-Base interactions energy: -9.906 where: short stacking energy: -9.906 Base-Backbone interact. energy: -0.011 local terms energy: -17.108927 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.040 flat angles C4'-P-C4' energy: -3.070 flat angles P-C4'-P energy: -2.824 tors. eta vs tors. theta energy: -0.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 265 Temperature: 1.350000 Total energy: -25.796708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.796708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.796708 (E_RNA) where: Base-Base interactions energy: -8.868 where: short stacking energy: -8.868 Base-Backbone interact. energy: -0.004 local terms energy: -16.924726 where: bonds (distance) C4'-P energy: -2.303 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -5.575 flat angles P-C4'-P energy: -3.884 tors. eta vs tors. theta energy: 0.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 266 Temperature: 0.900000 Total energy: -35.275240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.275240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.275240 (E_RNA) where: Base-Base interactions energy: -12.195 where: short stacking energy: -12.195 Base-Backbone interact. energy: -0.000 local terms energy: -23.080102 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.995 flat angles C4'-P-C4' energy: -4.566 flat angles P-C4'-P energy: -2.800 tors. eta vs tors. theta energy: -4.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 266 Temperature: 0.950000 Total energy: -33.063247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.063247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.063247 (E_RNA) where: Base-Base interactions energy: -10.620 where: short stacking energy: -10.620 Base-Backbone interact. energy: -0.000 local terms energy: -22.443126 where: bonds (distance) C4'-P energy: -4.529 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -4.556 flat angles P-C4'-P energy: -3.542 tors. eta vs tors. theta energy: -4.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 266 Temperature: 1.000000 Total energy: -32.857807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.857807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.857807 (E_RNA) where: Base-Base interactions energy: -11.858 where: short stacking energy: -11.858 Base-Backbone interact. energy: -0.002 local terms energy: -20.997837 where: bonds (distance) C4'-P energy: -4.315 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.663 flat angles P-C4'-P energy: -3.471 tors. eta vs tors. theta energy: -1.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 266 Temperature: 1.050000 Total energy: -33.757142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.757142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.757142 (E_RNA) where: Base-Base interactions energy: -13.465 where: short stacking energy: -13.465 Base-Backbone interact. energy: -0.000 local terms energy: -20.292027 where: bonds (distance) C4'-P energy: -3.659 bonds (distance) P-C4' energy: -4.767 flat angles C4'-P-C4' energy: -4.285 flat angles P-C4'-P energy: -3.307 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: 5, replica: 7 ===================================== Write number: 266 Temperature: 1.100000 Total energy: -28.434494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.434494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.434494 (E_RNA) where: Base-Base interactions energy: -10.606 where: short stacking energy: -10.606 Base-Backbone interact. energy: -0.031 local terms energy: -17.797746 where: bonds (distance) C4'-P energy: -5.188 bonds (distance) P-C4' energy: -3.979 flat angles C4'-P-C4' energy: -2.971 flat angles P-C4'-P energy: -4.313 tors. eta vs tors. theta energy: -1.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 266 Temperature: 1.150000 Total energy: -27.351683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.351683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.351683 (E_RNA) where: Base-Base interactions energy: -8.783 where: short stacking energy: -8.783 Base-Backbone interact. energy: -0.000 local terms energy: -18.568365 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -1.934 flat angles P-C4'-P energy: -2.608 tors. eta vs tors. theta energy: -2.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 266 Temperature: 1.200000 Total energy: -31.427680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.427680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.427680 (E_RNA) where: Base-Base interactions energy: -13.006 where: short stacking energy: -13.006 Base-Backbone interact. energy: -0.000 local terms energy: -18.421530 where: bonds (distance) C4'-P energy: -4.778 bonds (distance) P-C4' energy: -5.043 flat angles C4'-P-C4' energy: -3.125 flat angles P-C4'-P energy: 0.154 tors. eta vs tors. theta energy: -5.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 266 Temperature: 1.250000 Total energy: -27.822106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.822106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.822106 (E_RNA) where: Base-Base interactions energy: -10.361 where: short stacking energy: -10.361 Base-Backbone interact. energy: -0.000 local terms energy: -17.461267 where: bonds (distance) C4'-P energy: -4.351 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -2.967 flat angles P-C4'-P energy: -1.989 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: 9, replica: 4 ===================================== Write number: 266 Temperature: 1.300000 Total energy: -26.381882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.381882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.381882 (E_RNA) where: Base-Base interactions energy: -7.275 where: short stacking energy: -7.275 Base-Backbone interact. energy: -0.097 local terms energy: -19.010170 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.500 flat angles P-C4'-P energy: -3.069 tors. eta vs tors. theta energy: -1.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 266 Temperature: 1.350000 Total energy: -23.836894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.836894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.836894 (E_RNA) where: Base-Base interactions energy: -8.205 where: short stacking energy: -8.205 Base-Backbone interact. energy: -0.111 local terms energy: -15.521187 where: bonds (distance) C4'-P energy: -3.114 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -3.441 flat angles P-C4'-P energy: -2.425 tors. eta vs tors. theta energy: -1.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 267 Temperature: 0.900000 Total energy: -34.027331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.027331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.027331 (E_RNA) where: Base-Base interactions energy: -13.996 where: short stacking energy: -13.996 Base-Backbone interact. energy: -0.098 local terms energy: -19.932709 where: bonds (distance) C4'-P energy: -3.809 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -4.194 flat angles P-C4'-P energy: -4.439 tors. eta vs tors. theta energy: -2.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 267 Temperature: 0.950000 Total energy: -29.562767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.562767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.562767 (E_RNA) where: Base-Base interactions energy: -9.774 where: short stacking energy: -9.774 Base-Backbone interact. energy: -0.000 local terms energy: -19.788500 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -3.301 flat angles P-C4'-P energy: -1.741 tors. eta vs tors. theta energy: -3.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 267 Temperature: 1.000000 Total energy: -34.077114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.077114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.077114 (E_RNA) where: Base-Base interactions energy: -13.552 where: short stacking energy: -13.552 Base-Backbone interact. energy: -0.000 local terms energy: -20.524990 where: bonds (distance) C4'-P energy: -4.501 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -5.077 flat angles P-C4'-P energy: -4.158 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: 4, replica: 2 ===================================== Write number: 267 Temperature: 1.050000 Total energy: -35.480867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.480867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.480867 (E_RNA) where: Base-Base interactions energy: -12.530 where: short stacking energy: -12.530 Base-Backbone interact. energy: -0.001 local terms energy: -22.949925 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.318 flat angles P-C4'-P energy: -3.870 tors. eta vs tors. theta energy: -2.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 267 Temperature: 1.100000 Total energy: -28.078888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.078888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.078888 (E_RNA) where: Base-Base interactions energy: -10.048 where: short stacking energy: -10.048 Base-Backbone interact. energy: -0.003 local terms energy: -18.028620 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -5.261 flat angles C4'-P-C4' energy: -5.181 flat angles P-C4'-P energy: -1.788 tors. eta vs tors. theta energy: -1.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 267 Temperature: 1.150000 Total energy: -36.358957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.358957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.358957 (E_RNA) where: Base-Base interactions energy: -15.389 where: short stacking energy: -15.389 Base-Backbone interact. energy: -0.017 local terms energy: -20.953464 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -4.935 flat angles C4'-P-C4' energy: -4.577 flat angles P-C4'-P energy: -2.674 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: 7, replica: 9 ===================================== Write number: 267 Temperature: 1.200000 Total energy: -25.188552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.188552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.188552 (E_RNA) where: Base-Base interactions energy: -7.635 where: short stacking energy: -7.635 Base-Backbone interact. energy: -0.078 local terms energy: -17.475179 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -4.547 flat angles C4'-P-C4' energy: -4.434 flat angles P-C4'-P energy: -1.898 tors. eta vs tors. theta energy: -1.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 267 Temperature: 1.250000 Total energy: -30.033665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.033665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.033665 (E_RNA) where: Base-Base interactions energy: -11.343 where: short stacking energy: -11.343 Base-Backbone interact. energy: -0.000 local terms energy: -18.690817 where: bonds (distance) C4'-P energy: -4.335 bonds (distance) P-C4' energy: -1.179 flat angles C4'-P-C4' energy: -5.265 flat angles P-C4'-P energy: -4.513 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: 267 Temperature: 1.300000 Total energy: -34.118699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.118699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.118699 (E_RNA) where: Base-Base interactions energy: -12.380 where: short stacking energy: -12.380 Base-Backbone interact. energy: -0.000 local terms energy: -21.738204 where: bonds (distance) C4'-P energy: -4.451 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -5.505 flat angles P-C4'-P energy: -4.037 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: 10, replica: 8 ===================================== Write number: 267 Temperature: 1.350000 Total energy: -28.241519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.241519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.241519 (E_RNA) where: Base-Base interactions energy: -12.814 where: short stacking energy: -12.814 Base-Backbone interact. energy: -0.000 local terms energy: -15.427362 where: bonds (distance) C4'-P energy: -4.008 bonds (distance) P-C4' energy: -0.197 flat angles C4'-P-C4' energy: -5.396 flat angles P-C4'-P energy: -3.725 tors. eta vs tors. theta energy: -2.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 268 Temperature: 0.900000 Total energy: -32.198836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.198836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.198836 (E_RNA) where: Base-Base interactions energy: -11.667 where: short stacking energy: -11.667 Base-Backbone interact. energy: -0.091 local terms energy: -20.441683 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -5.291 flat angles P-C4'-P energy: -4.446 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: 2, replica: 1 ===================================== Write number: 268 Temperature: 0.950000 Total energy: -35.679035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.679035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.679035 (E_RNA) where: Base-Base interactions energy: -12.793 where: short stacking energy: -12.793 Base-Backbone interact. energy: -0.000 local terms energy: -22.886328 where: bonds (distance) C4'-P energy: -4.981 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -3.782 flat angles P-C4'-P energy: -3.903 tors. eta vs tors. theta energy: -4.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 268 Temperature: 1.000000 Total energy: -35.686574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.686574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.686574 (E_RNA) where: Base-Base interactions energy: -14.906 where: short stacking energy: -14.906 Base-Backbone interact. energy: -0.002 local terms energy: -20.778421 where: bonds (distance) C4'-P energy: -3.271 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.363 flat angles P-C4'-P energy: -3.279 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: 4, replica: 10 ===================================== Write number: 268 Temperature: 1.050000 Total energy: -28.652635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.652635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.652635 (E_RNA) where: Base-Base interactions energy: -9.066 where: short stacking energy: -9.066 Base-Backbone interact. energy: -0.002 local terms energy: -19.585091 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -3.704 flat angles P-C4'-P energy: -3.435 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: 5, replica: 7 ===================================== Write number: 268 Temperature: 1.100000 Total energy: -27.771840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.771840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.771840 (E_RNA) where: Base-Base interactions energy: -10.703 where: short stacking energy: -10.730 Base-Backbone interact. energy: 0.637 local terms energy: -17.705217 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -4.706 flat angles C4'-P-C4' energy: -4.551 flat angles P-C4'-P energy: -3.129 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: 6, replica: 5 ===================================== Write number: 268 Temperature: 1.150000 Total energy: -31.229398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.229398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.229398 (E_RNA) where: Base-Base interactions energy: -11.068 where: short stacking energy: -11.068 Base-Backbone interact. energy: -0.000 local terms energy: -20.161492 where: bonds (distance) C4'-P energy: -3.396 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.275 flat angles P-C4'-P energy: -2.715 tors. eta vs tors. theta energy: -4.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 268 Temperature: 1.200000 Total energy: -27.741210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.741210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.741210 (E_RNA) where: Base-Base interactions energy: -9.362 where: short stacking energy: -9.362 Base-Backbone interact. energy: -0.000 local terms energy: -18.379160 where: bonds (distance) C4'-P energy: -0.178 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -5.447 flat angles P-C4'-P energy: -3.699 tors. eta vs tors. theta energy: -3.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 268 Temperature: 1.250000 Total energy: -30.189385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.189385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.189385 (E_RNA) where: Base-Base interactions energy: -10.703 where: short stacking energy: -10.803 Base-Backbone interact. energy: -0.088 local terms energy: -19.397769 where: bonds (distance) C4'-P energy: -3.126 bonds (distance) P-C4' energy: -5.569 flat angles C4'-P-C4' energy: -3.929 flat angles P-C4'-P energy: -2.938 tors. eta vs tors. theta energy: -3.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 268 Temperature: 1.300000 Total energy: -25.025451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.025451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.025451 (E_RNA) where: Base-Base interactions energy: -7.448 where: short stacking energy: -7.448 Base-Backbone interact. energy: -0.001 local terms energy: -17.576653 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -4.998 flat angles C4'-P-C4' energy: -3.382 flat angles P-C4'-P energy: -1.381 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: 10, replica: 6 ===================================== Write number: 268 Temperature: 1.350000 Total energy: -25.181056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.181056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.181056 (E_RNA) where: Base-Base interactions energy: -7.420 where: short stacking energy: -7.420 Base-Backbone interact. energy: -0.081 local terms energy: -17.680037 where: bonds (distance) C4'-P energy: -4.361 bonds (distance) P-C4' energy: -2.860 flat angles C4'-P-C4' energy: -4.930 flat angles P-C4'-P energy: -3.988 tors. eta vs tors. theta energy: -1.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 269 Temperature: 0.900000 Total energy: -37.411711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.411711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.411711 (E_RNA) where: Base-Base interactions energy: -15.139 where: short stacking energy: -15.139 Base-Backbone interact. energy: -0.000 local terms energy: -22.273046 where: bonds (distance) C4'-P energy: -4.219 bonds (distance) P-C4' energy: -5.100 flat angles C4'-P-C4' energy: -3.781 flat angles P-C4'-P energy: -3.880 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: 2 ===================================== Write number: 269 Temperature: 0.950000 Total energy: -32.350676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.350676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.350676 (E_RNA) where: Base-Base interactions energy: -12.336 where: short stacking energy: -12.336 Base-Backbone interact. energy: -0.038 local terms energy: -19.976704 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -3.204 flat angles P-C4'-P energy: -4.664 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: 1 ===================================== Write number: 269 Temperature: 1.000000 Total energy: -31.933433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.933433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.933433 (E_RNA) where: Base-Base interactions energy: -10.595 where: short stacking energy: -10.595 Base-Backbone interact. energy: -0.000 local terms energy: -21.338585 where: bonds (distance) C4'-P energy: -4.485 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.498 flat angles P-C4'-P energy: -2.925 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: 4, replica: 7 ===================================== Write number: 269 Temperature: 1.050000 Total energy: -30.626844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.626844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.626844 (E_RNA) where: Base-Base interactions energy: -9.997 where: short stacking energy: -9.997 Base-Backbone interact. energy: -0.000 local terms energy: -20.629483 where: bonds (distance) C4'-P energy: -3.669 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -5.183 flat angles P-C4'-P energy: -3.643 tors. eta vs tors. theta energy: -3.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 269 Temperature: 1.100000 Total energy: -30.330820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.330820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.330820 (E_RNA) where: Base-Base interactions energy: -11.819 where: short stacking energy: -11.819 Base-Backbone interact. energy: -0.056 local terms energy: -18.456032 where: bonds (distance) C4'-P energy: -2.518 bonds (distance) P-C4' energy: -5.227 flat angles C4'-P-C4' energy: -2.553 flat angles P-C4'-P energy: -4.504 tors. eta vs tors. theta energy: -3.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 269 Temperature: 1.150000 Total energy: -31.301700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.301700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.301700 (E_RNA) where: Base-Base interactions energy: -13.576 where: short stacking energy: -13.576 Base-Backbone interact. energy: -0.001 local terms energy: -17.724729 where: bonds (distance) C4'-P energy: -3.768 bonds (distance) P-C4' energy: -5.283 flat angles C4'-P-C4' energy: -5.416 flat angles P-C4'-P energy: -1.928 tors. eta vs tors. theta energy: -1.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 269 Temperature: 1.200000 Total energy: -26.386784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.386784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.386784 (E_RNA) where: Base-Base interactions energy: -7.216 where: short stacking energy: -7.216 Base-Backbone interact. energy: -0.035 local terms energy: -19.136219 where: bonds (distance) C4'-P energy: -4.049 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.906 flat angles P-C4'-P energy: -4.361 tors. eta vs tors. theta energy: 0.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 269 Temperature: 1.250000 Total energy: -27.731531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.731531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.731531 (E_RNA) where: Base-Base interactions energy: -8.577 where: short stacking energy: -8.577 Base-Backbone interact. energy: -0.002 local terms energy: -19.152559 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -3.851 flat angles P-C4'-P energy: -2.781 tors. eta vs tors. theta energy: -1.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 269 Temperature: 1.300000 Total energy: -30.298708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.298708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.298708 (E_RNA) where: Base-Base interactions energy: -11.721 where: short stacking energy: -11.721 Base-Backbone interact. energy: 0.590 local terms energy: -19.167987 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -5.339 flat angles C4'-P-C4' energy: -5.731 flat angles P-C4'-P energy: -1.551 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: 10, replica: 6 ===================================== Write number: 269 Temperature: 1.350000 Total energy: -26.582430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.582430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.582430 (E_RNA) where: Base-Base interactions energy: -9.474 where: short stacking energy: -9.474 Base-Backbone interact. energy: -0.000 local terms energy: -17.108675 where: bonds (distance) C4'-P energy: -5.089 bonds (distance) P-C4' energy: -3.758 flat angles C4'-P-C4' energy: -3.289 flat angles P-C4'-P energy: -3.768 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: 3 ===================================== Write number: 270 Temperature: 0.900000 Total energy: -36.871487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.871487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.871487 (E_RNA) where: Base-Base interactions energy: -14.070 where: short stacking energy: -14.070 Base-Backbone interact. energy: -0.014 local terms energy: -22.787068 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -4.939 flat angles C4'-P-C4' energy: -5.012 flat angles P-C4'-P energy: -4.258 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: 2 ===================================== Write number: 270 Temperature: 0.950000 Total energy: -33.291143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.291143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.291143 (E_RNA) where: Base-Base interactions energy: -11.791 where: short stacking energy: -11.791 Base-Backbone interact. energy: -0.017 local terms energy: -21.483133 where: bonds (distance) C4'-P energy: -5.275 bonds (distance) P-C4' energy: -5.522 flat angles C4'-P-C4' energy: -5.334 flat angles P-C4'-P energy: -2.935 tors. eta vs tors. theta energy: -2.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 270 Temperature: 1.000000 Total energy: -36.235471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.235471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.235471 (E_RNA) where: Base-Base interactions energy: -16.234 where: short stacking energy: -16.234 Base-Backbone interact. energy: -0.000 local terms energy: -20.001244 where: bonds (distance) C4'-P energy: -4.235 bonds (distance) P-C4' energy: -5.516 flat angles C4'-P-C4' energy: -3.740 flat angles P-C4'-P energy: -3.152 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: 4, replica: 1 ===================================== Write number: 270 Temperature: 1.050000 Total energy: -30.167248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.167248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.167248 (E_RNA) where: Base-Base interactions energy: -11.215 where: short stacking energy: -11.215 Base-Backbone interact. energy: -0.002 local terms energy: -18.949674 where: bonds (distance) C4'-P energy: -2.725 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.752 flat angles P-C4'-P energy: -3.884 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: 9 ===================================== Write number: 270 Temperature: 1.100000 Total energy: -30.863225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.863225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.863225 (E_RNA) where: Base-Base interactions energy: -11.311 where: short stacking energy: -11.311 Base-Backbone interact. energy: -0.000 local terms energy: -19.552119 where: bonds (distance) C4'-P energy: -3.839 bonds (distance) P-C4' energy: -4.814 flat angles C4'-P-C4' energy: -5.746 flat angles P-C4'-P energy: -2.935 tors. eta vs tors. theta energy: -2.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 270 Temperature: 1.150000 Total energy: -33.782983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.782983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.782983 (E_RNA) where: Base-Base interactions energy: -9.267 where: short stacking energy: -9.267 Base-Backbone interact. energy: -0.000 local terms energy: -24.515904 where: bonds (distance) C4'-P energy: -4.753 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -4.966 flat angles P-C4'-P energy: -4.148 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: 7, replica: 4 ===================================== Write number: 270 Temperature: 1.200000 Total energy: -28.522665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.522665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.522665 (E_RNA) where: Base-Base interactions energy: -10.361 where: short stacking energy: -10.361 Base-Backbone interact. energy: -0.077 local terms energy: -18.084531 where: bonds (distance) C4'-P energy: -4.563 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -4.429 flat angles P-C4'-P energy: -2.232 tors. eta vs tors. theta energy: -1.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 270 Temperature: 1.250000 Total energy: -28.616470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.616470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.616470 (E_RNA) where: Base-Base interactions energy: -6.773 where: short stacking energy: -6.773 Base-Backbone interact. energy: -0.001 local terms energy: -21.843108 where: bonds (distance) C4'-P energy: -5.614 bonds (distance) P-C4' energy: -5.463 flat angles C4'-P-C4' energy: -3.520 flat angles P-C4'-P energy: -3.906 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: 9, replica: 6 ===================================== Write number: 270 Temperature: 1.300000 Total energy: -22.633419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.633419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.633419 (E_RNA) where: Base-Base interactions energy: -8.164 where: short stacking energy: -8.164 Base-Backbone interact. energy: -0.207 local terms energy: -14.262865 where: bonds (distance) C4'-P energy: -4.120 bonds (distance) P-C4' energy: -2.847 flat angles C4'-P-C4' energy: -3.177 flat angles P-C4'-P energy: -3.222 tors. eta vs tors. theta energy: -0.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 270 Temperature: 1.350000 Total energy: -27.854880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.854880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.854880 (E_RNA) where: Base-Base interactions energy: -8.418 where: short stacking energy: -8.618 Base-Backbone interact. energy: -0.093 local terms energy: -19.343396 where: bonds (distance) C4'-P energy: -3.189 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -4.890 flat angles P-C4'-P energy: -3.380 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: 1, replica: 3 ===================================== Write number: 271 Temperature: 0.900000 Total energy: -33.803228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.803228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.803228 (E_RNA) where: Base-Base interactions energy: -10.703 where: short stacking energy: -10.703 Base-Backbone interact. energy: -0.026 local terms energy: -23.074098 where: bonds (distance) C4'-P energy: -4.840 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -5.091 flat angles P-C4'-P energy: -4.229 tors. eta vs tors. theta energy: -2.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 271 Temperature: 0.950000 Total energy: -35.721086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.721086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.721086 (E_RNA) where: Base-Base interactions energy: -15.990 where: short stacking energy: -15.990 Base-Backbone interact. energy: -0.000 local terms energy: -19.730861 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -4.702 flat angles C4'-P-C4' energy: -3.473 flat angles P-C4'-P energy: -2.389 tors. eta vs tors. theta energy: -3.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 271 Temperature: 1.000000 Total energy: -34.848987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.848987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.848987 (E_RNA) where: Base-Base interactions energy: -15.372 where: short stacking energy: -15.372 Base-Backbone interact. energy: -0.000 local terms energy: -19.476837 where: bonds (distance) C4'-P energy: -4.840 bonds (distance) P-C4' energy: -4.127 flat angles C4'-P-C4' energy: -3.544 flat angles P-C4'-P energy: -3.557 tors. eta vs tors. theta energy: -3.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 271 Temperature: 1.050000 Total energy: -34.303881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.303881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.303881 (E_RNA) where: Base-Base interactions energy: -15.707 where: short stacking energy: -15.707 Base-Backbone interact. energy: -0.003 local terms energy: -18.594590 where: bonds (distance) C4'-P energy: -4.111 bonds (distance) P-C4' energy: -4.614 flat angles C4'-P-C4' energy: -3.069 flat angles P-C4'-P energy: -2.493 tors. eta vs tors. theta energy: -4.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 271 Temperature: 1.100000 Total energy: -32.850460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.850460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.850460 (E_RNA) where: Base-Base interactions energy: -11.657 where: short stacking energy: -11.657 Base-Backbone interact. energy: -0.000 local terms energy: -21.193053 where: bonds (distance) C4'-P energy: -3.242 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -3.997 flat angles P-C4'-P energy: -4.741 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: 6, replica: 4 ===================================== Write number: 271 Temperature: 1.150000 Total energy: -28.299889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.299889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.299889 (E_RNA) where: Base-Base interactions energy: -9.345 where: short stacking energy: -9.345 Base-Backbone interact. energy: -0.003 local terms energy: -18.952219 where: bonds (distance) C4'-P energy: -1.902 bonds (distance) P-C4' energy: -4.621 flat angles C4'-P-C4' energy: -3.534 flat angles P-C4'-P energy: -4.598 tors. eta vs tors. theta energy: -4.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 271 Temperature: 1.200000 Total energy: -24.671810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.671810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.671810 (E_RNA) where: Base-Base interactions energy: -7.389 where: short stacking energy: -7.389 Base-Backbone interact. energy: -0.033 local terms energy: -17.250383 where: bonds (distance) C4'-P energy: -3.607 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -3.658 flat angles P-C4'-P energy: -3.103 tors. eta vs tors. theta energy: -0.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 271 Temperature: 1.250000 Total energy: -30.576784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.576784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.576784 (E_RNA) where: Base-Base interactions energy: -11.844 where: short stacking energy: -11.844 Base-Backbone interact. energy: -0.033 local terms energy: -18.700166 where: bonds (distance) C4'-P energy: -4.786 bonds (distance) P-C4' energy: -5.470 flat angles C4'-P-C4' energy: -4.327 flat angles P-C4'-P energy: -3.784 tors. eta vs tors. theta energy: -0.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 271 Temperature: 1.300000 Total energy: -23.945302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.945302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.945302 (E_RNA) where: Base-Base interactions energy: -5.248 where: short stacking energy: -5.248 Base-Backbone interact. energy: -0.000 local terms energy: -18.697191 where: bonds (distance) C4'-P energy: -3.536 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -3.559 flat angles P-C4'-P energy: -3.184 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: 10, replica: 8 ===================================== Write number: 271 Temperature: 1.350000 Total energy: -24.060083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.060083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.060083 (E_RNA) where: Base-Base interactions energy: -5.849 where: short stacking energy: -5.849 Base-Backbone interact. energy: -0.684 local terms energy: -17.526750 where: bonds (distance) C4'-P energy: -4.137 bonds (distance) P-C4' energy: -5.065 flat angles C4'-P-C4' energy: -3.937 flat angles P-C4'-P energy: -4.552 tors. eta vs tors. theta energy: 0.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 272 Temperature: 0.900000 Total energy: -34.554488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.554488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.554488 (E_RNA) where: Base-Base interactions energy: -12.945 where: short stacking energy: -12.945 Base-Backbone interact. energy: -0.000 local terms energy: -21.609734 where: bonds (distance) C4'-P energy: -5.018 bonds (distance) P-C4' energy: -5.494 flat angles C4'-P-C4' energy: -4.979 flat angles P-C4'-P energy: -3.394 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: 2, replica: 3 ===================================== Write number: 272 Temperature: 0.950000 Total energy: -33.708041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.708041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.708041 (E_RNA) where: Base-Base interactions energy: -11.885 where: short stacking energy: -11.885 Base-Backbone interact. energy: -0.000 local terms energy: -21.823196 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.094 flat angles P-C4'-P energy: -2.641 tors. eta vs tors. theta energy: -2.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 272 Temperature: 1.000000 Total energy: -30.298411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.298411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.298411 (E_RNA) where: Base-Base interactions energy: -9.926 where: short stacking energy: -9.926 Base-Backbone interact. energy: -0.018 local terms energy: -20.354359 where: bonds (distance) C4'-P energy: -4.501 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -5.560 flat angles P-C4'-P energy: -3.891 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: 4, replica: 9 ===================================== Write number: 272 Temperature: 1.050000 Total energy: -29.670873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.670873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.670873 (E_RNA) where: Base-Base interactions energy: -6.386 where: short stacking energy: -6.386 Base-Backbone interact. energy: -0.000 local terms energy: -23.284422 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -5.258 flat angles C4'-P-C4' energy: -5.589 flat angles P-C4'-P energy: -3.860 tors. eta vs tors. theta energy: -3.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 272 Temperature: 1.100000 Total energy: -26.540645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.540645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.540645 (E_RNA) where: Base-Base interactions energy: -7.520 where: short stacking energy: -7.520 Base-Backbone interact. energy: -0.000 local terms energy: -19.020867 where: bonds (distance) C4'-P energy: -3.714 bonds (distance) P-C4' energy: -5.467 flat angles C4'-P-C4' energy: -5.011 flat angles P-C4'-P energy: -3.069 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: 6, replica: 1 ===================================== Write number: 272 Temperature: 1.150000 Total energy: -33.931255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.931255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.931255 (E_RNA) where: Base-Base interactions energy: -12.468 where: short stacking energy: -12.468 Base-Backbone interact. energy: -0.000 local terms energy: -21.462867 where: bonds (distance) C4'-P energy: -3.536 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.470 flat angles P-C4'-P energy: -3.835 tors. eta vs tors. theta energy: -2.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 272 Temperature: 1.200000 Total energy: -29.598600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.598600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.598600 (E_RNA) where: Base-Base interactions energy: -9.189 where: short stacking energy: -9.189 Base-Backbone interact. energy: -0.003 local terms energy: -20.406238 where: bonds (distance) C4'-P energy: -4.248 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -5.252 flat angles P-C4'-P energy: -3.611 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: 8, replica: 10 ===================================== Write number: 272 Temperature: 1.250000 Total energy: -28.097301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.097301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.097301 (E_RNA) where: Base-Base interactions energy: -9.730 where: short stacking energy: -9.730 Base-Backbone interact. energy: -0.001 local terms energy: -18.366314 where: bonds (distance) C4'-P energy: -3.135 bonds (distance) P-C4' energy: -4.942 flat angles C4'-P-C4' energy: -5.374 flat angles P-C4'-P energy: -3.464 tors. eta vs tors. theta energy: -1.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 272 Temperature: 1.300000 Total energy: -28.019041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.019041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.019041 (E_RNA) where: Base-Base interactions energy: -7.896 where: short stacking energy: -7.896 Base-Backbone interact. energy: -0.001 local terms energy: -20.122762 where: bonds (distance) C4'-P energy: -4.513 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.768 flat angles P-C4'-P energy: -4.229 tors. eta vs tors. theta energy: -0.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 272 Temperature: 1.350000 Total energy: -25.685698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.685698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.685698 (E_RNA) where: Base-Base interactions energy: -9.624 where: short stacking energy: -9.624 Base-Backbone interact. energy: -0.092 local terms energy: -15.970112 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -1.734 flat angles C4'-P-C4' energy: -5.077 flat angles P-C4'-P energy: -1.558 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: 2 ===================================== Write number: 273 Temperature: 0.900000 Total energy: -39.806647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.806647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.806647 (E_RNA) where: Base-Base interactions energy: -15.080 where: short stacking energy: -15.080 Base-Backbone interact. energy: -0.000 local terms energy: -24.726922 where: bonds (distance) C4'-P energy: -4.219 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.129 flat angles P-C4'-P energy: -3.642 tors. eta vs tors. theta energy: -5.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 273 Temperature: 0.950000 Total energy: -38.471581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.471581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.471581 (E_RNA) where: Base-Base interactions energy: -13.816 where: short stacking energy: -13.816 Base-Backbone interact. energy: -0.000 local terms energy: -24.655165 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -5.589 flat angles P-C4'-P energy: -4.371 tors. eta vs tors. theta energy: -4.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 273 Temperature: 1.000000 Total energy: -36.200896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.200896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.200896 (E_RNA) where: Base-Base interactions energy: -13.965 where: short stacking energy: -13.965 Base-Backbone interact. energy: -0.000 local terms energy: -22.235668 where: bonds (distance) C4'-P energy: -3.863 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -5.312 flat angles P-C4'-P energy: -4.352 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: 4, replica: 4 ===================================== Write number: 273 Temperature: 1.050000 Total energy: -30.554176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.554176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.554176 (E_RNA) where: Base-Base interactions energy: -12.113 where: short stacking energy: -12.113 Base-Backbone interact. energy: -0.001 local terms energy: -18.440069 where: bonds (distance) C4'-P energy: -3.536 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -3.181 flat angles P-C4'-P energy: -1.939 tors. eta vs tors. theta energy: -3.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 273 Temperature: 1.100000 Total energy: -32.269669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.269669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.269669 (E_RNA) where: Base-Base interactions energy: -11.866 where: short stacking energy: -11.866 Base-Backbone interact. energy: -0.000 local terms energy: -20.403825 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -4.750 flat angles P-C4'-P energy: -2.559 tors. eta vs tors. theta energy: -2.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 273 Temperature: 1.150000 Total energy: -26.585923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.585923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.585923 (E_RNA) where: Base-Base interactions energy: -8.909 where: short stacking energy: -8.909 Base-Backbone interact. energy: -0.099 local terms energy: -17.577811 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.078 flat angles C4'-P-C4' energy: -2.450 flat angles P-C4'-P energy: -3.160 tors. eta vs tors. theta energy: -1.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 273 Temperature: 1.200000 Total energy: -30.985991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.985991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.985991 (E_RNA) where: Base-Base interactions energy: -10.592 where: short stacking energy: -10.592 Base-Backbone interact. energy: -0.049 local terms energy: -20.345161 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.648 flat angles P-C4'-P energy: -2.125 tors. eta vs tors. theta energy: -1.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 273 Temperature: 1.250000 Total energy: -29.989945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.989945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.989945 (E_RNA) where: Base-Base interactions energy: -11.339 where: short stacking energy: -10.069 Base-Backbone interact. energy: -0.058 local terms energy: -18.593102 where: bonds (distance) C4'-P energy: -3.545 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -4.308 flat angles P-C4'-P energy: -3.444 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: 9, replica: 10 ===================================== Write number: 273 Temperature: 1.300000 Total energy: -26.973182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.973182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.973182 (E_RNA) where: Base-Base interactions energy: -9.820 where: short stacking energy: -9.820 Base-Backbone interact. energy: -0.029 local terms energy: -17.124323 where: bonds (distance) C4'-P energy: -3.792 bonds (distance) P-C4' energy: -5.540 flat angles C4'-P-C4' energy: -4.442 flat angles P-C4'-P energy: -2.717 tors. eta vs tors. theta energy: -0.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 273 Temperature: 1.350000 Total energy: -24.739085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.739085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.739085 (E_RNA) where: Base-Base interactions energy: -7.899 where: short stacking energy: -7.899 Base-Backbone interact. energy: -1.333 local terms energy: -15.507544 where: bonds (distance) C4'-P energy: -4.207 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -1.894 flat angles P-C4'-P energy: -3.794 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: 3 ===================================== Write number: 274 Temperature: 0.900000 Total energy: -37.598146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.598146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.598146 (E_RNA) where: Base-Base interactions energy: -13.952 where: short stacking energy: -13.952 Base-Backbone interact. energy: -0.000 local terms energy: -23.646423 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.724 flat angles C4'-P-C4' energy: -4.896 flat angles P-C4'-P energy: -4.464 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: 2 ===================================== Write number: 274 Temperature: 0.950000 Total energy: -38.206287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.206287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.206287 (E_RNA) where: Base-Base interactions energy: -15.502 where: short stacking energy: -15.502 Base-Backbone interact. energy: -0.000 local terms energy: -22.704642 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -3.632 flat angles C4'-P-C4' energy: -5.551 flat angles P-C4'-P energy: -3.839 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: 3, replica: 7 ===================================== Write number: 274 Temperature: 1.000000 Total energy: -31.099798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.099798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.099798 (E_RNA) where: Base-Base interactions energy: -12.396 where: short stacking energy: -12.396 Base-Backbone interact. energy: -0.088 local terms energy: -18.615734 where: bonds (distance) C4'-P energy: -3.801 bonds (distance) P-C4' energy: -4.713 flat angles C4'-P-C4' energy: -4.545 flat angles P-C4'-P energy: -4.591 tors. eta vs tors. theta energy: -0.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 274 Temperature: 1.050000 Total energy: -38.659940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.659940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.659940 (E_RNA) where: Base-Base interactions energy: -15.034 where: short stacking energy: -15.034 Base-Backbone interact. energy: -0.000 local terms energy: -23.625454 where: bonds (distance) C4'-P energy: -3.892 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -4.544 flat angles P-C4'-P energy: -3.884 tors. eta vs tors. theta energy: -5.524 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: 6 ===================================== Write number: 274 Temperature: 1.100000 Total energy: -32.806190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.806190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.806190 (E_RNA) where: Base-Base interactions energy: -11.222 where: short stacking energy: -11.222 Base-Backbone interact. energy: -0.003 local terms energy: -21.580641 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.318 flat angles C4'-P-C4' energy: -4.471 flat angles P-C4'-P energy: -3.818 tors. eta vs tors. theta energy: -3.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 274 Temperature: 1.150000 Total energy: -29.477742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.477742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.477742 (E_RNA) where: Base-Base interactions energy: -7.795 where: short stacking energy: -7.795 Base-Backbone interact. energy: -0.002 local terms energy: -21.681169 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -2.611 flat angles P-C4'-P energy: -3.810 tors. eta vs tors. theta energy: -3.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 274 Temperature: 1.200000 Total energy: -30.107279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.107279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.107279 (E_RNA) where: Base-Base interactions energy: -7.783 where: short stacking energy: -7.783 Base-Backbone interact. energy: -0.001 local terms energy: -22.322699 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -5.589 flat angles P-C4'-P energy: -3.232 tors. eta vs tors. theta energy: -2.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 274 Temperature: 1.250000 Total energy: -28.150636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.150636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.150636 (E_RNA) where: Base-Base interactions energy: -7.732 where: short stacking energy: -7.732 Base-Backbone interact. energy: -0.001 local terms energy: -20.417241 where: bonds (distance) C4'-P energy: -3.225 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.252 flat angles P-C4'-P energy: -4.682 tors. eta vs tors. theta energy: -3.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 274 Temperature: 1.300000 Total energy: -29.368358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.368358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.368358 (E_RNA) where: Base-Base interactions energy: -8.624 where: short stacking energy: -8.624 Base-Backbone interact. energy: -0.000 local terms energy: -20.744476 where: bonds (distance) C4'-P energy: -4.248 bonds (distance) P-C4' energy: -3.982 flat angles C4'-P-C4' energy: -4.849 flat angles P-C4'-P energy: -3.181 tors. eta vs tors. theta energy: -4.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 274 Temperature: 1.350000 Total energy: -26.028018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.028018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.028018 (E_RNA) where: Base-Base interactions energy: -6.280 where: short stacking energy: -6.280 Base-Backbone interact. energy: -0.001 local terms energy: -19.747531 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -3.029 flat angles P-C4'-P energy: -3.642 tors. eta vs tors. theta energy: -1.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 275 Temperature: 0.900000 Total energy: -36.678534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.678534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.678534 (E_RNA) where: Base-Base interactions energy: -15.095 where: short stacking energy: -15.095 Base-Backbone interact. energy: -0.000 local terms energy: -21.583110 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -4.019 flat angles C4'-P-C4' energy: -3.629 flat angles P-C4'-P energy: -3.223 tors. eta vs tors. theta energy: -5.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 275 Temperature: 0.950000 Total energy: -37.006674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.006674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.006674 (E_RNA) where: Base-Base interactions energy: -15.812 where: short stacking energy: -15.812 Base-Backbone interact. energy: -0.000 local terms energy: -21.194022 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -4.839 flat angles C4'-P-C4' energy: -3.848 flat angles P-C4'-P energy: -4.145 tors. eta vs tors. theta energy: -3.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 275 Temperature: 1.000000 Total energy: -31.575175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.575175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.575175 (E_RNA) where: Base-Base interactions energy: -9.652 where: short stacking energy: -9.652 Base-Backbone interact. energy: -0.000 local terms energy: -21.923288 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -4.339 flat angles P-C4'-P energy: -4.399 tors. eta vs tors. theta energy: -2.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 275 Temperature: 1.050000 Total energy: -33.673930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.673930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.673930 (E_RNA) where: Base-Base interactions energy: -12.279 where: short stacking energy: -12.279 Base-Backbone interact. energy: -0.000 local terms energy: -21.394604 where: bonds (distance) C4'-P energy: -3.570 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -4.497 flat angles P-C4'-P energy: -4.034 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: 5, replica: 4 ===================================== Write number: 275 Temperature: 1.100000 Total energy: -32.947240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.947240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.947240 (E_RNA) where: Base-Base interactions energy: -11.059 where: short stacking energy: -11.059 Base-Backbone interact. energy: -0.001 local terms energy: -21.887066 where: bonds (distance) C4'-P energy: -4.811 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.248 flat angles P-C4'-P energy: -3.668 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: 6, replica: 8 ===================================== Write number: 275 Temperature: 1.150000 Total energy: -30.585660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.585660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.585660 (E_RNA) where: Base-Base interactions energy: -7.173 where: short stacking energy: -7.173 Base-Backbone interact. energy: -0.000 local terms energy: -23.412445 where: bonds (distance) C4'-P energy: -4.637 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.691 flat angles P-C4'-P energy: -4.299 tors. eta vs tors. theta energy: -3.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 275 Temperature: 1.200000 Total energy: -28.181988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.181988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.181988 (E_RNA) where: Base-Base interactions energy: -10.271 where: short stacking energy: -10.271 Base-Backbone interact. energy: -0.001 local terms energy: -17.910314 where: bonds (distance) C4'-P energy: -4.778 bonds (distance) P-C4' energy: -4.255 flat angles C4'-P-C4' energy: -2.568 flat angles P-C4'-P energy: -4.140 tors. eta vs tors. theta energy: -2.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 275 Temperature: 1.250000 Total energy: -27.475069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.475069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.475069 (E_RNA) where: Base-Base interactions energy: -6.183 where: short stacking energy: -6.183 Base-Backbone interact. energy: -0.001 local terms energy: -21.291056 where: bonds (distance) C4'-P energy: -4.637 bonds (distance) P-C4' energy: -4.939 flat angles C4'-P-C4' energy: -4.957 flat angles P-C4'-P energy: -4.179 tors. eta vs tors. theta energy: -2.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 275 Temperature: 1.300000 Total energy: -24.665890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.665890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.665890 (E_RNA) where: Base-Base interactions energy: -10.707 where: short stacking energy: -10.707 Base-Backbone interact. energy: -0.010 local terms energy: -13.949060 where: bonds (distance) C4'-P energy: -4.600 bonds (distance) P-C4' energy: -3.305 flat angles C4'-P-C4' energy: -3.533 flat angles P-C4'-P energy: -1.850 tors. eta vs tors. theta energy: -0.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 275 Temperature: 1.350000 Total energy: -28.638592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.638592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.638592 (E_RNA) where: Base-Base interactions energy: -7.801 where: short stacking energy: -7.801 Base-Backbone interact. energy: -0.000 local terms energy: -20.837269 where: bonds (distance) C4'-P energy: -4.663 bonds (distance) P-C4' energy: -5.298 flat angles C4'-P-C4' energy: -2.937 flat angles P-C4'-P energy: -2.774 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: 1, replica: 7 ===================================== Write number: 276 Temperature: 0.900000 Total energy: -39.916070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.916070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.916070 (E_RNA) where: Base-Base interactions energy: -16.836 where: short stacking energy: -16.836 Base-Backbone interact. energy: -0.000 local terms energy: -23.079681 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -4.723 flat angles P-C4'-P energy: -2.810 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: 2, replica: 3 ===================================== Write number: 276 Temperature: 0.950000 Total energy: -32.250441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.250441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.250441 (E_RNA) where: Base-Base interactions energy: -11.964 where: short stacking energy: -11.964 Base-Backbone interact. energy: -0.001 local terms energy: -20.285485 where: bonds (distance) C4'-P energy: -3.698 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -5.466 flat angles P-C4'-P energy: -3.899 tors. eta vs tors. theta energy: -0.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 276 Temperature: 1.000000 Total energy: -33.162497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.162497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.162497 (E_RNA) where: Base-Base interactions energy: -9.315 where: short stacking energy: -9.315 Base-Backbone interact. energy: -0.000 local terms energy: -23.847886 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -5.360 flat angles P-C4'-P energy: -3.117 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: 4, replica: 6 ===================================== Write number: 276 Temperature: 1.050000 Total energy: -32.591118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.591118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.591118 (E_RNA) where: Base-Base interactions energy: -11.551 where: short stacking energy: -11.551 Base-Backbone interact. energy: -0.062 local terms energy: -20.978321 where: bonds (distance) C4'-P energy: -4.865 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -4.847 flat angles P-C4'-P energy: -4.373 tors. eta vs tors. theta energy: -1.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 276 Temperature: 1.100000 Total energy: -26.405755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.405755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.405755 (E_RNA) where: Base-Base interactions energy: -6.814 where: short stacking energy: -6.814 Base-Backbone interact. energy: -1.778 local terms energy: -17.813244 where: bonds (distance) C4'-P energy: -4.343 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -3.997 flat angles P-C4'-P energy: -3.445 tors. eta vs tors. theta energy: -0.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 276 Temperature: 1.150000 Total energy: -25.278068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.278068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.278068 (E_RNA) where: Base-Base interactions energy: -6.614 where: short stacking energy: -6.614 Base-Backbone interact. energy: -0.120 local terms energy: -18.543836 where: bonds (distance) C4'-P energy: -4.421 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.899 flat angles P-C4'-P energy: -4.063 tors. eta vs tors. theta energy: 0.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 276 Temperature: 1.200000 Total energy: -27.110919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.110919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.110919 (E_RNA) where: Base-Base interactions energy: -9.825 where: short stacking energy: -9.825 Base-Backbone interact. energy: -0.000 local terms energy: -17.286045 where: bonds (distance) C4'-P energy: -3.756 bonds (distance) P-C4' energy: -4.998 flat angles C4'-P-C4' energy: -2.643 flat angles P-C4'-P energy: -3.319 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: 8, replica: 9 ===================================== Write number: 276 Temperature: 1.250000 Total energy: -28.590323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.590323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.590323 (E_RNA) where: Base-Base interactions energy: -9.454 where: short stacking energy: -9.454 Base-Backbone interact. energy: -0.004 local terms energy: -19.131776 where: bonds (distance) C4'-P energy: -4.617 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.526 flat angles P-C4'-P energy: -2.840 tors. eta vs tors. theta energy: -1.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 276 Temperature: 1.300000 Total energy: -25.131614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.131614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.131614 (E_RNA) where: Base-Base interactions energy: -7.224 where: short stacking energy: -7.224 Base-Backbone interact. energy: -0.001 local terms energy: -17.906575 where: bonds (distance) C4'-P energy: -4.219 bonds (distance) P-C4' energy: -2.265 flat angles C4'-P-C4' energy: -4.931 flat angles P-C4'-P energy: -3.867 tors. eta vs tors. theta energy: -2.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 276 Temperature: 1.350000 Total energy: -24.902294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.902294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.902294 (E_RNA) where: Base-Base interactions energy: -6.656 where: short stacking energy: -6.656 Base-Backbone interact. energy: -0.000 local terms energy: -18.246348 where: bonds (distance) C4'-P energy: -4.111 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.383 flat angles P-C4'-P energy: -2.535 tors. eta vs tors. theta energy: -0.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 277 Temperature: 0.900000 Total energy: -40.769312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.769312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.769312 (E_RNA) where: Base-Base interactions energy: -15.305 where: short stacking energy: -15.305 Base-Backbone interact. energy: -0.000 local terms energy: -25.464187 where: bonds (distance) C4'-P energy: -4.493 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.172 flat angles P-C4'-P energy: -4.166 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: 2, replica: 2 ===================================== Write number: 277 Temperature: 0.950000 Total energy: -29.303257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.303257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.303257 (E_RNA) where: Base-Base interactions energy: -8.980 where: short stacking energy: -8.980 Base-Backbone interact. energy: -0.000 local terms energy: -20.322634 where: bonds (distance) C4'-P energy: -3.756 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.869 flat angles P-C4'-P energy: -3.911 tors. eta vs tors. theta energy: -2.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 277 Temperature: 1.000000 Total energy: -26.125131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.125131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.125131 (E_RNA) where: Base-Base interactions energy: -8.798 where: short stacking energy: -8.798 Base-Backbone interact. energy: -0.115 local terms energy: -17.212407 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -3.673 flat angles P-C4'-P energy: -2.818 tors. eta vs tors. theta energy: -0.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 277 Temperature: 1.050000 Total energy: -31.382304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.382304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.382304 (E_RNA) where: Base-Base interactions energy: -11.710 where: short stacking energy: -11.710 Base-Backbone interact. energy: -0.000 local terms energy: -19.671730 where: bonds (distance) C4'-P energy: -4.447 bonds (distance) P-C4' energy: -4.949 flat angles C4'-P-C4' energy: -4.396 flat angles P-C4'-P energy: -2.811 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: 5, replica: 6 ===================================== Write number: 277 Temperature: 1.100000 Total energy: -32.684667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.684667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.684667 (E_RNA) where: Base-Base interactions energy: -14.362 where: short stacking energy: -14.362 Base-Backbone interact. energy: -0.000 local terms energy: -18.322848 where: bonds (distance) C4'-P energy: -2.754 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -4.899 flat angles P-C4'-P energy: -2.310 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: 6, replica: 5 ===================================== Write number: 277 Temperature: 1.150000 Total energy: -23.441841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.441841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.441841 (E_RNA) where: Base-Base interactions energy: -4.350 where: short stacking energy: -4.350 Base-Backbone interact. energy: -0.065 local terms energy: -19.027716 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.783 flat angles C4'-P-C4' energy: -5.081 flat angles P-C4'-P energy: -3.145 tors. eta vs tors. theta energy: 0.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 277 Temperature: 1.200000 Total energy: -29.636514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.636514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.636514 (E_RNA) where: Base-Base interactions energy: -11.576 where: short stacking energy: -11.576 Base-Backbone interact. energy: -0.006 local terms energy: -18.054556 where: bonds (distance) C4'-P energy: -4.663 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -3.902 flat angles P-C4'-P energy: -3.072 tors. eta vs tors. theta energy: -1.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 277 Temperature: 1.250000 Total energy: -31.982789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.982789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.982789 (E_RNA) where: Base-Base interactions energy: -12.220 where: short stacking energy: -12.220 Base-Backbone interact. energy: -0.011 local terms energy: -19.752698 where: bonds (distance) C4'-P energy: -4.219 bonds (distance) P-C4' energy: -4.479 flat angles C4'-P-C4' energy: -4.004 flat angles P-C4'-P energy: -3.187 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: 9, replica: 9 ===================================== Write number: 277 Temperature: 1.300000 Total energy: -31.901456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.901456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.901456 (E_RNA) where: Base-Base interactions energy: -11.661 where: short stacking energy: -11.661 Base-Backbone interact. energy: -0.027 local terms energy: -20.214053 where: bonds (distance) C4'-P energy: -4.911 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.836 flat angles P-C4'-P energy: -3.301 tors. eta vs tors. theta energy: -1.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 277 Temperature: 1.350000 Total energy: -26.777731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.777731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.777731 (E_RNA) where: Base-Base interactions energy: -6.591 where: short stacking energy: -6.591 Base-Backbone interact. energy: -0.000 local terms energy: -20.186404 where: bonds (distance) C4'-P energy: -4.637 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -3.761 flat angles P-C4'-P energy: -3.339 tors. eta vs tors. theta energy: -2.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 278 Temperature: 0.900000 Total energy: -35.554109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.554109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.554109 (E_RNA) where: Base-Base interactions energy: -14.440 where: short stacking energy: -14.440 Base-Backbone interact. energy: -0.194 local terms energy: -20.919901 where: bonds (distance) C4'-P energy: -4.227 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.451 flat angles P-C4'-P energy: -3.670 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: 2, replica: 7 ===================================== Write number: 278 Temperature: 0.950000 Total energy: -33.598224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.598224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.598224 (E_RNA) where: Base-Base interactions energy: -12.266 where: short stacking energy: -12.266 Base-Backbone interact. energy: -0.000 local terms energy: -21.332135 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -4.406 flat angles C4'-P-C4' energy: -4.456 flat angles P-C4'-P energy: -3.629 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: 3, replica: 8 ===================================== Write number: 278 Temperature: 1.000000 Total energy: -31.230921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.230921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.230921 (E_RNA) where: Base-Base interactions energy: -9.411 where: short stacking energy: -9.411 Base-Backbone interact. energy: -0.000 local terms energy: -21.819968 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.910 flat angles P-C4'-P energy: -3.782 tors. eta vs tors. theta energy: -2.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 278 Temperature: 1.050000 Total energy: -34.500528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.500528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.500528 (E_RNA) where: Base-Base interactions energy: -13.503 where: short stacking energy: -13.503 Base-Backbone interact. energy: -0.000 local terms energy: -20.997732 where: bonds (distance) C4'-P energy: -4.628 bonds (distance) P-C4' energy: -5.065 flat angles C4'-P-C4' energy: -5.138 flat angles P-C4'-P energy: -3.141 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: 5, replica: 5 ===================================== Write number: 278 Temperature: 1.100000 Total energy: -31.618348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.618348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.618348 (E_RNA) where: Base-Base interactions energy: -9.945 where: short stacking energy: -9.945 Base-Backbone interact. energy: -0.000 local terms energy: -21.673459 where: bonds (distance) C4'-P energy: -4.811 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -2.683 flat angles P-C4'-P energy: -4.760 tors. eta vs tors. theta energy: -3.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 278 Temperature: 1.150000 Total energy: -31.812186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.812186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.812186 (E_RNA) where: Base-Base interactions energy: -10.800 where: short stacking energy: -10.800 Base-Backbone interact. energy: -0.000 local terms energy: -21.011804 where: bonds (distance) C4'-P energy: -4.600 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -5.182 flat angles P-C4'-P energy: -2.941 tors. eta vs tors. theta energy: -2.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 278 Temperature: 1.200000 Total energy: -31.008234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.008234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.008234 (E_RNA) where: Base-Base interactions energy: -10.419 where: short stacking energy: -10.419 Base-Backbone interact. energy: -0.058 local terms energy: -20.530980 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -3.761 flat angles P-C4'-P energy: -4.243 tors. eta vs tors. theta energy: -1.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 278 Temperature: 1.250000 Total energy: -26.345873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.345873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.345873 (E_RNA) where: Base-Base interactions energy: -5.930 where: short stacking energy: -5.930 Base-Backbone interact. energy: -0.032 local terms energy: -20.383578 where: bonds (distance) C4'-P energy: -4.865 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -3.266 flat angles P-C4'-P energy: -4.439 tors. eta vs tors. theta energy: -1.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 278 Temperature: 1.300000 Total energy: -28.664166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.664166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.664166 (E_RNA) where: Base-Base interactions energy: -6.254 where: short stacking energy: -6.254 Base-Backbone interact. energy: -0.000 local terms energy: -22.410327 where: bonds (distance) C4'-P energy: -3.826 bonds (distance) P-C4' energy: -4.994 flat angles C4'-P-C4' energy: -4.135 flat angles P-C4'-P energy: -4.758 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: 10, replica: 9 ===================================== Write number: 278 Temperature: 1.350000 Total energy: -27.879512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.879512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.879512 (E_RNA) where: Base-Base interactions energy: -9.827 where: short stacking energy: -9.827 Base-Backbone interact. energy: -0.000 local terms energy: -18.052782 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.605 flat angles P-C4'-P energy: -0.853 tors. eta vs tors. theta energy: -1.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 279 Temperature: 0.900000 Total energy: -33.941507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.941507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.941507 (E_RNA) where: Base-Base interactions energy: -14.904 where: short stacking energy: -14.904 Base-Backbone interact. energy: 0.001 local terms energy: -19.038717 where: bonds (distance) C4'-P energy: -3.359 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.768 flat angles P-C4'-P energy: -3.202 tors. eta vs tors. theta energy: -1.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 279 Temperature: 0.950000 Total energy: -37.160496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.160496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.160496 (E_RNA) where: Base-Base interactions energy: -15.213 where: short stacking energy: -15.213 Base-Backbone interact. energy: -0.000 local terms energy: -21.947684 where: bonds (distance) C4'-P energy: -4.795 bonds (distance) P-C4' energy: -4.761 flat angles C4'-P-C4' energy: -3.945 flat angles P-C4'-P energy: -3.648 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: 3, replica: 7 ===================================== Write number: 279 Temperature: 1.000000 Total energy: -32.129333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.129333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.129333 (E_RNA) where: Base-Base interactions energy: -12.105 where: short stacking energy: -12.105 Base-Backbone interact. energy: -0.059 local terms energy: -19.965552 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -3.572 flat angles P-C4'-P energy: -3.700 tors. eta vs tors. theta energy: -1.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 279 Temperature: 1.050000 Total energy: -32.128860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.128860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.128860 (E_RNA) where: Base-Base interactions energy: -11.997 where: short stacking energy: -11.997 Base-Backbone interact. energy: -0.023 local terms energy: -20.108188 where: bonds (distance) C4'-P energy: -4.787 bonds (distance) P-C4' energy: -5.305 flat angles C4'-P-C4' energy: -5.696 flat angles P-C4'-P energy: -3.034 tors. eta vs tors. theta energy: -1.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 279 Temperature: 1.100000 Total energy: -31.044003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.044003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.044003 (E_RNA) where: Base-Base interactions energy: -11.721 where: short stacking energy: -11.721 Base-Backbone interact. energy: -0.000 local terms energy: -19.322966 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -4.535 flat angles P-C4'-P energy: -1.693 tors. eta vs tors. theta energy: -3.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 279 Temperature: 1.150000 Total energy: -28.822470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.822470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.822470 (E_RNA) where: Base-Base interactions energy: -8.444 where: short stacking energy: -8.444 Base-Backbone interact. energy: -0.002 local terms energy: -20.375897 where: bonds (distance) C4'-P energy: -4.637 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -4.604 flat angles P-C4'-P energy: -4.705 tors. eta vs tors. theta energy: -1.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 279 Temperature: 1.200000 Total energy: -29.482775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.482775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.482775 (E_RNA) where: Base-Base interactions energy: -11.699 where: short stacking energy: -11.699 Base-Backbone interact. energy: -0.000 local terms energy: -17.783375 where: bonds (distance) C4'-P energy: -4.285 bonds (distance) P-C4' energy: -4.949 flat angles C4'-P-C4' energy: -3.220 flat angles P-C4'-P energy: -1.770 tors. eta vs tors. theta energy: -3.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 279 Temperature: 1.250000 Total energy: -26.814079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.814079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.814079 (E_RNA) where: Base-Base interactions energy: -6.926 where: short stacking energy: -6.926 Base-Backbone interact. energy: -0.094 local terms energy: -19.793852 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -2.823 flat angles C4'-P-C4' energy: -4.839 flat angles P-C4'-P energy: -3.626 tors. eta vs tors. theta energy: -3.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 279 Temperature: 1.300000 Total energy: -25.084853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.084853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.084853 (E_RNA) where: Base-Base interactions energy: -4.911 where: short stacking energy: -4.911 Base-Backbone interact. energy: -0.000 local terms energy: -20.173938 where: bonds (distance) C4'-P energy: -5.304 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -5.490 flat angles P-C4'-P energy: -2.650 tors. eta vs tors. theta energy: -1.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 279 Temperature: 1.350000 Total energy: -27.128476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.128476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.128476 (E_RNA) where: Base-Base interactions energy: -7.848 where: short stacking energy: -7.848 Base-Backbone interact. energy: -0.081 local terms energy: -19.198919 where: bonds (distance) C4'-P energy: -4.219 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.564 flat angles P-C4'-P energy: -2.789 tors. eta vs tors. theta energy: -1.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 280 Temperature: 0.900000 Total energy: -35.147655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.147655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.147655 (E_RNA) where: Base-Base interactions energy: -12.701 where: short stacking energy: -12.701 Base-Backbone interact. energy: -0.000 local terms energy: -22.446650 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.683 flat angles P-C4'-P energy: -3.552 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: 2, replica: 2 ===================================== Write number: 280 Temperature: 0.950000 Total energy: -33.176950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.176950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.176950 (E_RNA) where: Base-Base interactions energy: -12.239 where: short stacking energy: -12.239 Base-Backbone interact. energy: -0.000 local terms energy: -20.937856 where: bonds (distance) C4'-P energy: -5.018 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -3.729 flat angles P-C4'-P energy: -2.769 tors. eta vs tors. theta energy: -4.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 280 Temperature: 1.000000 Total energy: -28.257370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.257370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.257370 (E_RNA) where: Base-Base interactions energy: -9.174 where: short stacking energy: -9.174 Base-Backbone interact. energy: 0.326 local terms energy: -19.409488 where: bonds (distance) C4'-P energy: -4.725 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.238 flat angles P-C4'-P energy: -3.715 tors. eta vs tors. theta energy: -0.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 280 Temperature: 1.050000 Total energy: -35.231609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.231609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.231609 (E_RNA) where: Base-Base interactions energy: -14.050 where: short stacking energy: -14.050 Base-Backbone interact. energy: -0.000 local terms energy: -21.181749 where: bonds (distance) C4'-P energy: -5.159 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -4.003 flat angles P-C4'-P energy: -2.139 tors. eta vs tors. theta energy: -4.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 280 Temperature: 1.100000 Total energy: -29.014511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.014511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.014511 (E_RNA) where: Base-Base interactions energy: -10.166 where: short stacking energy: -10.166 Base-Backbone interact. energy: -0.000 local terms energy: -18.848501 where: bonds (distance) C4'-P energy: -4.181 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -2.543 flat angles P-C4'-P energy: -2.992 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: 6, replica: 3 ===================================== Write number: 280 Temperature: 1.150000 Total energy: -26.773576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.773576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.773576 (E_RNA) where: Base-Base interactions energy: -9.878 where: short stacking energy: -9.878 Base-Backbone interact. energy: -0.041 local terms energy: -16.854205 where: bonds (distance) C4'-P energy: -4.111 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -3.184 flat angles P-C4'-P energy: -4.190 tors. eta vs tors. theta energy: 0.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 280 Temperature: 1.200000 Total energy: -32.168991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.168991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.168991 (E_RNA) where: Base-Base interactions energy: -11.724 where: short stacking energy: -11.724 Base-Backbone interact. energy: -0.012 local terms energy: -20.432874 where: bonds (distance) C4'-P energy: -4.637 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -4.832 flat angles P-C4'-P energy: -4.295 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: 8, replica: 6 ===================================== Write number: 280 Temperature: 1.250000 Total energy: -25.567637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.567637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.567637 (E_RNA) where: Base-Base interactions energy: -8.254 where: short stacking energy: -8.254 Base-Backbone interact. energy: 1.513 local terms energy: -18.826098 where: bonds (distance) C4'-P energy: -4.057 bonds (distance) P-C4' energy: -4.678 flat angles C4'-P-C4' energy: -4.364 flat angles P-C4'-P energy: -4.046 tors. eta vs tors. theta energy: -1.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 280 Temperature: 1.300000 Total energy: -27.036652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.036652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.036652 (E_RNA) where: Base-Base interactions energy: -7.432 where: short stacking energy: -7.432 Base-Backbone interact. energy: -0.000 local terms energy: -19.604241 where: bonds (distance) C4'-P energy: -4.761 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -3.692 flat angles P-C4'-P energy: -4.140 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: 10, replica: 4 ===================================== Write number: 280 Temperature: 1.350000 Total energy: -24.305570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.305570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.305570 (E_RNA) where: Base-Base interactions energy: -9.120 where: short stacking energy: -9.120 Base-Backbone interact. energy: -0.000 local terms energy: -15.185543 where: bonds (distance) C4'-P energy: -4.485 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: 0.232 flat angles P-C4'-P energy: -2.092 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: 1, replica: 8 ===================================== Write number: 281 Temperature: 0.900000 Total energy: -38.584456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.584456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.584456 (E_RNA) where: Base-Base interactions energy: -16.955 where: short stacking energy: -16.955 Base-Backbone interact. energy: -0.003 local terms energy: -21.626218 where: bonds (distance) C4'-P energy: -2.141 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -5.536 flat angles P-C4'-P energy: -3.883 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: 2 ===================================== Write number: 281 Temperature: 0.950000 Total energy: -34.333506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.333506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.333506 (E_RNA) where: Base-Base interactions energy: -12.486 where: short stacking energy: -12.486 Base-Backbone interact. energy: -0.005 local terms energy: -21.843019 where: bonds (distance) C4'-P energy: -4.058 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -5.628 flat angles P-C4'-P energy: -3.375 tors. eta vs tors. theta energy: -2.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 281 Temperature: 1.000000 Total energy: -33.644660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.644660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.644660 (E_RNA) where: Base-Base interactions energy: -10.992 where: short stacking energy: -10.992 Base-Backbone interact. energy: -0.001 local terms energy: -22.651455 where: bonds (distance) C4'-P energy: -5.275 bonds (distance) P-C4' energy: -5.566 flat angles C4'-P-C4' energy: -5.117 flat angles P-C4'-P energy: -3.212 tors. eta vs tors. theta energy: -3.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 281 Temperature: 1.050000 Total energy: -30.107445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.107445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.107445 (E_RNA) where: Base-Base interactions energy: -11.313 where: short stacking energy: -11.313 Base-Backbone interact. energy: -0.004 local terms energy: -18.790448 where: bonds (distance) C4'-P energy: -5.027 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -4.466 flat angles P-C4'-P energy: -1.989 tors. eta vs tors. theta energy: -2.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 281 Temperature: 1.100000 Total energy: -29.331310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.331310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.331310 (E_RNA) where: Base-Base interactions energy: -10.307 where: short stacking energy: -10.454 Base-Backbone interact. energy: -0.013 local terms energy: -19.011643 where: bonds (distance) C4'-P energy: -4.645 bonds (distance) P-C4' energy: -3.568 flat angles C4'-P-C4' energy: -5.113 flat angles P-C4'-P energy: -3.523 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: 6, replica: 1 ===================================== Write number: 281 Temperature: 1.150000 Total energy: -27.393394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.393394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.393394 (E_RNA) where: Base-Base interactions energy: -8.901 where: short stacking energy: -8.963 Base-Backbone interact. energy: -0.016 local terms energy: -18.476541 where: bonds (distance) C4'-P energy: -4.178 bonds (distance) P-C4' energy: -5.333 flat angles C4'-P-C4' energy: -4.689 flat angles P-C4'-P energy: -2.537 tors. eta vs tors. theta energy: -1.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 281 Temperature: 1.200000 Total energy: -29.221466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.221466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.221466 (E_RNA) where: Base-Base interactions energy: -11.516 where: short stacking energy: -11.516 Base-Backbone interact. energy: -0.062 local terms energy: -17.643106 where: bonds (distance) C4'-P energy: -2.649 bonds (distance) P-C4' energy: -4.192 flat angles C4'-P-C4' energy: -5.217 flat angles P-C4'-P energy: -3.907 tors. eta vs tors. theta energy: -1.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 281 Temperature: 1.250000 Total energy: -24.984877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.984877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.984877 (E_RNA) where: Base-Base interactions energy: -8.229 where: short stacking energy: -8.229 Base-Backbone interact. energy: -0.046 local terms energy: -16.709619 where: bonds (distance) C4'-P energy: -4.663 bonds (distance) P-C4' energy: -3.737 flat angles C4'-P-C4' energy: -3.452 flat angles P-C4'-P energy: -2.968 tors. eta vs tors. theta energy: -1.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 281 Temperature: 1.300000 Total energy: -33.185292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.185292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.185292 (E_RNA) where: Base-Base interactions energy: -11.417 where: short stacking energy: -11.417 Base-Backbone interact. energy: -0.000 local terms energy: -21.768619 where: bonds (distance) C4'-P energy: -3.668 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.359 flat angles P-C4'-P energy: -4.174 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: 10, replica: 4 ===================================== Write number: 281 Temperature: 1.350000 Total energy: -30.973694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.973694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.973694 (E_RNA) where: Base-Base interactions energy: -10.305 where: short stacking energy: -10.305 Base-Backbone interact. energy: -0.000 local terms energy: -20.669124 where: bonds (distance) C4'-P energy: -4.335 bonds (distance) P-C4' energy: -4.534 flat angles C4'-P-C4' energy: -4.590 flat angles P-C4'-P energy: -3.502 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: 1, replica: 2 ===================================== Write number: 282 Temperature: 0.900000 Total energy: -35.246169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.246169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.246169 (E_RNA) where: Base-Base interactions energy: -11.284 where: short stacking energy: -11.284 Base-Backbone interact. energy: -0.000 local terms energy: -23.961827 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.164 flat angles P-C4'-P energy: -3.966 tors. eta vs tors. theta energy: -3.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 282 Temperature: 0.950000 Total energy: -33.839666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.839666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.839666 (E_RNA) where: Base-Base interactions energy: -13.495 where: short stacking energy: -13.495 Base-Backbone interact. energy: -0.002 local terms energy: -20.342837 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -5.226 flat angles P-C4'-P energy: -1.661 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: 3, replica: 10 ===================================== Write number: 282 Temperature: 1.000000 Total energy: -40.588195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.588195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.588195 (E_RNA) where: Base-Base interactions energy: -15.465 where: short stacking energy: -15.465 Base-Backbone interact. energy: -0.000 local terms energy: -25.122907 where: bonds (distance) C4'-P energy: -4.405 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.058 flat angles P-C4'-P energy: -3.925 tors. eta vs tors. theta energy: -5.983 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: 4, replica: 5 ===================================== Write number: 282 Temperature: 1.050000 Total energy: -31.622909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.622909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.622909 (E_RNA) where: Base-Base interactions energy: -12.092 where: short stacking energy: -11.653 Base-Backbone interact. energy: -0.000 local terms energy: -19.530303 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -3.859 flat angles P-C4'-P energy: -1.923 tors. eta vs tors. theta energy: -2.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 282 Temperature: 1.100000 Total energy: -27.120217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.120217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.120217 (E_RNA) where: Base-Base interactions energy: -6.518 where: short stacking energy: -7.118 Base-Backbone interact. energy: 0.092 local terms energy: -20.694174 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.217 flat angles P-C4'-P energy: -4.087 tors. eta vs tors. theta energy: -1.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 282 Temperature: 1.150000 Total energy: -26.311049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.311049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.311049 (E_RNA) where: Base-Base interactions energy: -7.835 where: short stacking energy: -7.835 Base-Backbone interact. energy: -0.122 local terms energy: -18.353652 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.853 flat angles P-C4'-P energy: -3.477 tors. eta vs tors. theta energy: 0.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 282 Temperature: 1.200000 Total energy: -27.487929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.487929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.487929 (E_RNA) where: Base-Base interactions energy: -4.882 where: short stacking energy: -4.882 Base-Backbone interact. energy: -0.020 local terms energy: -22.585510 where: bonds (distance) C4'-P energy: -4.795 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -5.148 flat angles P-C4'-P energy: -3.690 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: 8, replica: 3 ===================================== Write number: 282 Temperature: 1.250000 Total energy: -23.913481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.913481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.913481 (E_RNA) where: Base-Base interactions energy: -6.732 where: short stacking energy: -6.732 Base-Backbone interact. energy: -0.003 local terms energy: -17.178610 where: bonds (distance) C4'-P energy: -4.787 bonds (distance) P-C4' energy: -5.522 flat angles C4'-P-C4' energy: -3.321 flat angles P-C4'-P energy: -2.992 tors. eta vs tors. theta energy: -0.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 282 Temperature: 1.300000 Total energy: -25.161487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.161487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.161487 (E_RNA) where: Base-Base interactions energy: -7.721 where: short stacking energy: -7.721 Base-Backbone interact. energy: -0.023 local terms energy: -17.417589 where: bonds (distance) C4'-P energy: -5.275 bonds (distance) P-C4' energy: -3.476 flat angles C4'-P-C4' energy: -4.854 flat angles P-C4'-P energy: -3.696 tors. eta vs tors. theta energy: -0.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 282 Temperature: 1.350000 Total energy: -24.573389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.573389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.573389 (E_RNA) where: Base-Base interactions energy: -8.212 where: short stacking energy: -8.212 Base-Backbone interact. energy: -0.000 local terms energy: -16.360804 where: bonds (distance) C4'-P energy: -3.934 bonds (distance) P-C4' energy: -5.004 flat angles C4'-P-C4' energy: -4.369 flat angles P-C4'-P energy: -3.141 tors. eta vs tors. theta energy: 0.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 283 Temperature: 0.900000 Total energy: -32.585411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.585411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.585411 (E_RNA) where: Base-Base interactions energy: -12.378 where: short stacking energy: -12.378 Base-Backbone interact. energy: -0.058 local terms energy: -20.148794 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.234 flat angles C4'-P-C4' energy: -5.185 flat angles P-C4'-P energy: -2.012 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: 2, replica: 10 ===================================== Write number: 283 Temperature: 0.950000 Total energy: -34.685194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.685194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.685194 (E_RNA) where: Base-Base interactions energy: -14.919 where: short stacking energy: -14.919 Base-Backbone interact. energy: -0.000 local terms energy: -19.765712 where: bonds (distance) C4'-P energy: -3.659 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.002 flat angles P-C4'-P energy: -4.343 tors. eta vs tors. theta energy: -1.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 283 Temperature: 1.000000 Total energy: -33.221386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.221386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.221386 (E_RNA) where: Base-Base interactions energy: -13.903 where: short stacking energy: -7.676 Base-Backbone interact. energy: -0.132 local terms energy: -19.186361 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.979 flat angles P-C4'-P energy: -3.763 tors. eta vs tors. theta energy: 0.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 283 Temperature: 1.050000 Total energy: -33.463639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.463639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.463639 (E_RNA) where: Base-Base interactions energy: -15.678 where: short stacking energy: -15.678 Base-Backbone interact. energy: -0.000 local terms energy: -17.785935 where: bonds (distance) C4'-P energy: -3.038 bonds (distance) P-C4' energy: -4.783 flat angles C4'-P-C4' energy: -3.440 flat angles P-C4'-P energy: -3.710 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: 5, replica: 5 ===================================== Write number: 283 Temperature: 1.100000 Total energy: -29.075177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.075177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.075177 (E_RNA) where: Base-Base interactions energy: -8.030 where: short stacking energy: -8.030 Base-Backbone interact. energy: -0.000 local terms energy: -21.045390 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -4.406 flat angles C4'-P-C4' energy: -4.954 flat angles P-C4'-P energy: -3.406 tors. eta vs tors. theta energy: -3.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 283 Temperature: 1.150000 Total energy: -28.987146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.987146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.987146 (E_RNA) where: Base-Base interactions energy: -10.400 where: short stacking energy: -10.400 Base-Backbone interact. energy: -0.007 local terms energy: -18.580483 where: bonds (distance) C4'-P energy: -3.809 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.077 flat angles P-C4'-P energy: -2.271 tors. eta vs tors. theta energy: -2.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 283 Temperature: 1.200000 Total energy: -27.111750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.111750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.111750 (E_RNA) where: Base-Base interactions energy: -8.247 where: short stacking energy: -7.763 Base-Backbone interact. energy: -0.025 local terms energy: -18.839534 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -2.495 flat angles C4'-P-C4' energy: -4.066 flat angles P-C4'-P energy: -3.375 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: 8, replica: 4 ===================================== Write number: 283 Temperature: 1.250000 Total energy: -23.193779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.193779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.193779 (E_RNA) where: Base-Base interactions energy: -2.886 where: short stacking energy: -2.886 Base-Backbone interact. energy: -0.002 local terms energy: -20.305573 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -4.835 flat angles C4'-P-C4' energy: -5.366 flat angles P-C4'-P energy: -3.814 tors. eta vs tors. theta energy: -1.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 283 Temperature: 1.300000 Total energy: -26.465707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.465707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.465707 (E_RNA) where: Base-Base interactions energy: -10.914 where: short stacking energy: -10.914 Base-Backbone interact. energy: -0.043 local terms energy: -15.509440 where: bonds (distance) C4'-P energy: -3.651 bonds (distance) P-C4' energy: -5.494 flat angles C4'-P-C4' energy: -4.864 flat angles P-C4'-P energy: -2.307 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: 283 Temperature: 1.350000 Total energy: -27.363678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.363678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.363678 (E_RNA) where: Base-Base interactions energy: -8.103 where: short stacking energy: -8.103 Base-Backbone interact. energy: -0.089 local terms energy: -19.171620 where: bonds (distance) C4'-P energy: -3.312 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -3.458 flat angles P-C4'-P energy: -3.572 tors. eta vs tors. theta energy: -3.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 284 Temperature: 0.900000 Total energy: -31.676107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.676107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.676107 (E_RNA) where: Base-Base interactions energy: -11.792 where: short stacking energy: -11.792 Base-Backbone interact. energy: -0.012 local terms energy: -19.872399 where: bonds (distance) C4'-P energy: -3.731 bonds (distance) P-C4' energy: -5.100 flat angles C4'-P-C4' energy: -4.621 flat angles P-C4'-P energy: -3.774 tors. eta vs tors. theta energy: -2.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 284 Temperature: 0.950000 Total energy: -32.880599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.880599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.880599 (E_RNA) where: Base-Base interactions energy: -12.012 where: short stacking energy: -12.012 Base-Backbone interact. energy: -0.071 local terms energy: -20.798004 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -4.692 flat angles P-C4'-P energy: -1.978 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: 3, replica: 1 ===================================== Write number: 284 Temperature: 1.000000 Total energy: -35.843948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.843948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.843948 (E_RNA) where: Base-Base interactions energy: -11.977 where: short stacking energy: -11.977 Base-Backbone interact. energy: -0.001 local terms energy: -23.866102 where: bonds (distance) C4'-P energy: -3.900 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.971 flat angles P-C4'-P energy: -4.419 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: 4, replica: 8 ===================================== Write number: 284 Temperature: 1.050000 Total energy: -33.179564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.179564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.179564 (E_RNA) where: Base-Base interactions energy: -11.107 where: short stacking energy: -11.107 Base-Backbone interact. energy: -0.000 local terms energy: -22.072845 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.032 flat angles P-C4'-P energy: -3.650 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: 7 ===================================== Write number: 284 Temperature: 1.100000 Total energy: -27.807797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.807797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.807797 (E_RNA) where: Base-Base interactions energy: -8.162 where: short stacking energy: -8.162 Base-Backbone interact. energy: -0.000 local terms energy: -19.646175 where: bonds (distance) C4'-P energy: -5.275 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -3.371 flat angles P-C4'-P energy: -3.608 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: 5 ===================================== Write number: 284 Temperature: 1.150000 Total energy: -27.048411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.048411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.048411 (E_RNA) where: Base-Base interactions energy: -8.696 where: short stacking energy: -8.696 Base-Backbone interact. energy: -0.066 local terms energy: -18.286038 where: bonds (distance) C4'-P energy: -3.598 bonds (distance) P-C4' energy: -4.976 flat angles C4'-P-C4' energy: -4.313 flat angles P-C4'-P energy: -3.988 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: 7, replica: 4 ===================================== Write number: 284 Temperature: 1.200000 Total energy: -25.495850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.495850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.495850 (E_RNA) where: Base-Base interactions energy: -6.452 where: short stacking energy: -6.452 Base-Backbone interact. energy: -0.002 local terms energy: -19.041125 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -1.705 flat angles P-C4'-P energy: -4.204 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: 284 Temperature: 1.250000 Total energy: -27.980551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.980551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.980551 (E_RNA) where: Base-Base interactions energy: -7.551 where: short stacking energy: -7.551 Base-Backbone interact. energy: -0.055 local terms energy: -20.374490 where: bonds (distance) C4'-P energy: -4.173 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.021 flat angles P-C4'-P energy: -3.592 tors. eta vs tors. theta energy: -2.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 284 Temperature: 1.300000 Total energy: -25.826814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.826814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.826814 (E_RNA) where: Base-Base interactions energy: -5.617 where: short stacking energy: -5.617 Base-Backbone interact. energy: -0.044 local terms energy: -20.165852 where: bonds (distance) C4'-P energy: -2.985 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -5.241 flat angles P-C4'-P energy: -4.293 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: 10, replica: 3 ===================================== Write number: 284 Temperature: 1.350000 Total energy: -23.799256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.799256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.799256 (E_RNA) where: Base-Base interactions energy: -9.484 where: short stacking energy: -9.484 Base-Backbone interact. energy: -0.022 local terms energy: -14.292970 where: bonds (distance) C4'-P energy: -3.135 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -3.745 flat angles P-C4'-P energy: -0.757 tors. eta vs tors. theta energy: -1.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 285 Temperature: 0.900000 Total energy: -26.323156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.323156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.323156 (E_RNA) where: Base-Base interactions energy: -7.737 where: short stacking energy: -7.737 Base-Backbone interact. energy: -0.110 local terms energy: -18.476642 where: bonds (distance) C4'-P energy: -3.462 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.668 flat angles P-C4'-P energy: -4.706 tors. eta vs tors. theta energy: 0.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 285 Temperature: 0.950000 Total energy: -34.634276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.634276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.634276 (E_RNA) where: Base-Base interactions energy: -12.586 where: short stacking energy: -12.586 Base-Backbone interact. energy: -0.001 local terms energy: -22.047265 where: bonds (distance) C4'-P energy: -5.143 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.555 flat angles P-C4'-P energy: -2.405 tors. eta vs tors. theta energy: -2.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 285 Temperature: 1.000000 Total energy: -28.315419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.315419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.315419 (E_RNA) where: Base-Base interactions energy: -11.875 where: short stacking energy: -11.875 Base-Backbone interact. energy: -0.000 local terms energy: -16.440368 where: bonds (distance) C4'-P energy: -3.899 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -3.305 flat angles P-C4'-P energy: -0.031 tors. eta vs tors. theta energy: -2.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 285 Temperature: 1.050000 Total energy: -29.140405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.140405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.140405 (E_RNA) where: Base-Base interactions energy: -8.605 where: short stacking energy: -8.605 Base-Backbone interact. energy: -0.000 local terms energy: -20.534859 where: bonds (distance) C4'-P energy: -4.289 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -4.176 flat angles P-C4'-P energy: -3.587 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: 5, replica: 8 ===================================== Write number: 285 Temperature: 1.100000 Total energy: -30.859099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.859099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.859099 (E_RNA) where: Base-Base interactions energy: -12.165 where: short stacking energy: -12.165 Base-Backbone interact. energy: -0.012 local terms energy: -18.682022 where: bonds (distance) C4'-P energy: -2.993 bonds (distance) P-C4' energy: -4.706 flat angles C4'-P-C4' energy: -5.324 flat angles P-C4'-P energy: -3.699 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: 6, replica: 4 ===================================== Write number: 285 Temperature: 1.150000 Total energy: -28.720976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.720976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.720976 (E_RNA) where: Base-Base interactions energy: -11.204 where: short stacking energy: -11.204 Base-Backbone interact. energy: -0.008 local terms energy: -17.509234 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -5.494 flat angles C4'-P-C4' energy: -4.248 flat angles P-C4'-P energy: -2.110 tors. eta vs tors. theta energy: -1.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 285 Temperature: 1.200000 Total energy: -30.718797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.718797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.718797 (E_RNA) where: Base-Base interactions energy: -12.788 where: short stacking energy: -12.788 Base-Backbone interact. energy: 0.348 local terms energy: -18.278690 where: bonds (distance) C4'-P energy: -2.985 bonds (distance) P-C4' energy: -4.019 flat angles C4'-P-C4' energy: -4.826 flat angles P-C4'-P energy: -3.402 tors. eta vs tors. theta energy: -3.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 285 Temperature: 1.250000 Total energy: -25.109366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.109366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.109366 (E_RNA) where: Base-Base interactions energy: -6.572 where: short stacking energy: -6.572 Base-Backbone interact. energy: -0.000 local terms energy: -18.536969 where: bonds (distance) C4'-P energy: -4.227 bonds (distance) P-C4' energy: -4.639 flat angles C4'-P-C4' energy: -4.634 flat angles P-C4'-P energy: -2.639 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: 9, replica: 9 ===================================== Write number: 285 Temperature: 1.300000 Total energy: -23.247026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.247026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.247026 (E_RNA) where: Base-Base interactions energy: -6.203 where: short stacking energy: -6.203 Base-Backbone interact. energy: -0.066 local terms energy: -16.977626 where: bonds (distance) C4'-P energy: -3.109 bonds (distance) P-C4' energy: -4.998 flat angles C4'-P-C4' energy: -5.308 flat angles P-C4'-P energy: -1.688 tors. eta vs tors. theta energy: -1.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 285 Temperature: 1.350000 Total energy: -28.421717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.421717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.421717 (E_RNA) where: Base-Base interactions energy: -8.675 where: short stacking energy: -8.675 Base-Backbone interact. energy: -0.001 local terms energy: -19.745503 where: bonds (distance) C4'-P energy: -3.412 bonds (distance) P-C4' energy: -5.730 flat angles C4'-P-C4' energy: -3.962 flat angles P-C4'-P energy: -3.421 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: 1, replica: 1 ===================================== Write number: 286 Temperature: 0.900000 Total energy: -36.495219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.495219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.495219 (E_RNA) where: Base-Base interactions energy: -15.048 where: short stacking energy: -15.048 Base-Backbone interact. energy: -0.000 local terms energy: -21.447398 where: bonds (distance) C4'-P energy: -4.413 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -3.234 flat angles P-C4'-P energy: -3.229 tors. eta vs tors. theta energy: -4.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 286 Temperature: 0.950000 Total energy: -31.708227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.708227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.708227 (E_RNA) where: Base-Base interactions energy: -9.226 where: short stacking energy: -9.226 Base-Backbone interact. energy: -0.000 local terms energy: -22.482347 where: bonds (distance) C4'-P energy: -3.632 bonds (distance) P-C4' energy: -4.470 flat angles C4'-P-C4' energy: -5.436 flat angles P-C4'-P energy: -3.252 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: 3, replica: 7 ===================================== Write number: 286 Temperature: 1.000000 Total energy: -30.623394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.623394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.623394 (E_RNA) where: Base-Base interactions energy: -11.900 where: short stacking energy: -11.900 Base-Backbone interact. energy: -0.001 local terms energy: -18.722564 where: bonds (distance) C4'-P energy: -4.637 bonds (distance) P-C4' energy: -5.566 flat angles C4'-P-C4' energy: -4.535 flat angles P-C4'-P energy: -3.554 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: 4, replica: 2 ===================================== Write number: 286 Temperature: 1.050000 Total energy: -30.749898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.749898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.749898 (E_RNA) where: Base-Base interactions energy: -13.213 where: short stacking energy: -13.213 Base-Backbone interact. energy: -0.000 local terms energy: -17.536412 where: bonds (distance) C4'-P energy: -4.235 bonds (distance) P-C4' energy: -3.736 flat angles C4'-P-C4' energy: -2.983 flat angles P-C4'-P energy: -3.061 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: 5, replica: 4 ===================================== Write number: 286 Temperature: 1.100000 Total energy: -28.469152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.469152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.469152 (E_RNA) where: Base-Base interactions energy: -7.817 where: short stacking energy: -7.817 Base-Backbone interact. energy: -0.000 local terms energy: -20.652467 where: bonds (distance) C4'-P energy: -2.944 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.613 flat angles P-C4'-P energy: -3.453 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: 6, replica: 8 ===================================== Write number: 286 Temperature: 1.150000 Total energy: -32.970940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.970940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.970940 (E_RNA) where: Base-Base interactions energy: -12.683 where: short stacking energy: -12.683 Base-Backbone interact. energy: -0.093 local terms energy: -20.195810 where: bonds (distance) C4'-P energy: -3.871 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -5.081 flat angles P-C4'-P energy: -3.064 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: 286 Temperature: 1.200000 Total energy: -27.697747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.697747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.697747 (E_RNA) where: Base-Base interactions energy: -7.688 where: short stacking energy: -7.688 Base-Backbone interact. energy: -0.003 local terms energy: -20.006761 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -3.061 flat angles P-C4'-P energy: -4.538 tors. eta vs tors. theta energy: -1.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 286 Temperature: 1.250000 Total energy: -30.767111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.767111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.767111 (E_RNA) where: Base-Base interactions energy: -9.862 where: short stacking energy: -9.862 Base-Backbone interact. energy: -0.056 local terms energy: -20.849316 where: bonds (distance) C4'-P energy: -3.412 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -5.010 flat angles P-C4'-P energy: -3.019 tors. eta vs tors. theta energy: -3.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 286 Temperature: 1.300000 Total energy: -26.030521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.030521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.030521 (E_RNA) where: Base-Base interactions energy: -7.825 where: short stacking energy: -7.825 Base-Backbone interact. energy: -0.020 local terms energy: -18.185454 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -4.195 flat angles P-C4'-P energy: -3.574 tors. eta vs tors. theta energy: 0.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 286 Temperature: 1.350000 Total energy: -24.627152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.627152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.627152 (E_RNA) where: Base-Base interactions energy: -7.223 where: short stacking energy: -7.223 Base-Backbone interact. energy: -0.053 local terms energy: -17.351695 where: bonds (distance) C4'-P energy: -5.018 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -2.926 flat angles P-C4'-P energy: -4.292 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: 1, replica: 1 ===================================== Write number: 287 Temperature: 0.900000 Total energy: -34.334974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.334974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.334974 (E_RNA) where: Base-Base interactions energy: -11.780 where: short stacking energy: -11.780 Base-Backbone interact. energy: -0.000 local terms energy: -22.554476 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.868 flat angles P-C4'-P energy: -3.049 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: 10 ===================================== Write number: 287 Temperature: 0.950000 Total energy: -35.661802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.661802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.661802 (E_RNA) where: Base-Base interactions energy: -14.655 where: short stacking energy: -14.655 Base-Backbone interact. energy: -0.000 local terms energy: -21.007145 where: bonds (distance) C4'-P energy: -4.733 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.429 flat angles P-C4'-P energy: -2.740 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: 3, replica: 7 ===================================== Write number: 287 Temperature: 1.000000 Total energy: -30.721993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.721993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.721993 (E_RNA) where: Base-Base interactions energy: -9.888 where: short stacking energy: -9.982 Base-Backbone interact. energy: -0.005 local terms energy: -20.829391 where: bonds (distance) C4'-P energy: -3.374 bonds (distance) P-C4' energy: -4.706 flat angles C4'-P-C4' energy: -4.654 flat angles P-C4'-P energy: -4.653 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: 4 ===================================== Write number: 287 Temperature: 1.050000 Total energy: -32.068555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.068555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.068555 (E_RNA) where: Base-Base interactions energy: -11.157 where: short stacking energy: -11.157 Base-Backbone interact. energy: -0.000 local terms energy: -20.910848 where: bonds (distance) C4'-P energy: -4.493 bonds (distance) P-C4' energy: -4.879 flat angles C4'-P-C4' energy: -4.447 flat angles P-C4'-P energy: -4.046 tors. eta vs tors. theta energy: -3.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 287 Temperature: 1.100000 Total energy: -29.722500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.722500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.722500 (E_RNA) where: Base-Base interactions energy: -10.971 where: short stacking energy: -10.971 Base-Backbone interact. energy: -0.000 local terms energy: -18.751376 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -4.342 flat angles C4'-P-C4' energy: -3.642 flat angles P-C4'-P energy: -1.121 tors. eta vs tors. theta energy: -4.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 287 Temperature: 1.150000 Total energy: -31.001939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.001939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.001939 (E_RNA) where: Base-Base interactions energy: -11.969 where: short stacking energy: -12.098 Base-Backbone interact. energy: -0.000 local terms energy: -19.032423 where: bonds (distance) C4'-P energy: -4.132 bonds (distance) P-C4' energy: -4.240 flat angles C4'-P-C4' energy: -4.448 flat angles P-C4'-P energy: -3.891 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: 7, replica: 8 ===================================== Write number: 287 Temperature: 1.200000 Total energy: -27.425471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.425471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.425471 (E_RNA) where: Base-Base interactions energy: -6.963 where: short stacking energy: -6.963 Base-Backbone interact. energy: -0.000 local terms energy: -20.462046 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -3.396 flat angles P-C4'-P energy: -4.224 tors. eta vs tors. theta energy: -1.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 287 Temperature: 1.250000 Total energy: -24.546917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.546917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.546917 (E_RNA) where: Base-Base interactions energy: -7.773 where: short stacking energy: -7.773 Base-Backbone interact. energy: -0.005 local terms energy: -16.768262 where: bonds (distance) C4'-P energy: -3.839 bonds (distance) P-C4' energy: -4.994 flat angles C4'-P-C4' energy: -3.717 flat angles P-C4'-P energy: -2.580 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: 9, replica: 5 ===================================== Write number: 287 Temperature: 1.300000 Total energy: -28.983890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.983890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.983890 (E_RNA) where: Base-Base interactions energy: -7.035 where: short stacking energy: -7.035 Base-Backbone interact. energy: -0.006 local terms energy: -21.942176 where: bonds (distance) C4'-P energy: -3.756 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.532 flat angles P-C4'-P energy: -3.457 tors. eta vs tors. theta energy: -2.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 287 Temperature: 1.350000 Total energy: -25.583641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.583641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.583641 (E_RNA) where: Base-Base interactions energy: -7.554 where: short stacking energy: -7.554 Base-Backbone interact. energy: -0.000 local terms energy: -18.029836 where: bonds (distance) C4'-P energy: -2.468 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.961 flat angles P-C4'-P energy: -4.316 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: 10 ===================================== Write number: 288 Temperature: 0.900000 Total energy: -35.590410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.590410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.590410 (E_RNA) where: Base-Base interactions energy: -16.393 where: short stacking energy: -16.393 Base-Backbone interact. energy: -0.031 local terms energy: -19.166546 where: bonds (distance) C4'-P energy: -2.985 bonds (distance) P-C4' energy: -4.639 flat angles C4'-P-C4' energy: -4.349 flat angles P-C4'-P energy: -3.444 tors. eta vs tors. theta energy: -3.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 288 Temperature: 0.950000 Total energy: -37.754536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.754536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.754536 (E_RNA) where: Base-Base interactions energy: -16.885 where: short stacking energy: -16.885 Base-Backbone interact. energy: -0.024 local terms energy: -20.845281 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -5.258 flat angles C4'-P-C4' energy: -4.385 flat angles P-C4'-P energy: -1.724 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: 3, replica: 4 ===================================== Write number: 288 Temperature: 1.000000 Total energy: -27.766859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.766859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.766859 (E_RNA) where: Base-Base interactions energy: -7.641 where: short stacking energy: -7.641 Base-Backbone interact. energy: -0.905 local terms energy: -19.220627 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -5.310 flat angles P-C4'-P energy: -3.194 tors. eta vs tors. theta energy: -0.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 288 Temperature: 1.050000 Total energy: -29.710729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.710729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.710729 (E_RNA) where: Base-Base interactions energy: -10.507 where: short stacking energy: -10.507 Base-Backbone interact. energy: -0.002 local terms energy: -19.201277 where: bonds (distance) C4'-P energy: -4.617 bonds (distance) P-C4' energy: -5.759 flat angles C4'-P-C4' energy: -4.209 flat angles P-C4'-P energy: -3.471 tors. eta vs tors. theta energy: -1.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 288 Temperature: 1.100000 Total energy: -29.493915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.493915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.493915 (E_RNA) where: Base-Base interactions energy: -7.929 where: short stacking energy: -7.929 Base-Backbone interact. energy: -0.001 local terms energy: -21.563826 where: bonds (distance) C4'-P energy: -4.637 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -5.492 flat angles P-C4'-P energy: -3.258 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: 6, replica: 2 ===================================== Write number: 288 Temperature: 1.150000 Total energy: -33.388384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.388384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.388384 (E_RNA) where: Base-Base interactions energy: -12.287 where: short stacking energy: -12.287 Base-Backbone interact. energy: -0.000 local terms energy: -21.101361 where: bonds (distance) C4'-P energy: -4.016 bonds (distance) P-C4' energy: -5.572 flat angles C4'-P-C4' energy: -4.766 flat angles P-C4'-P energy: -2.455 tors. eta vs tors. theta energy: -4.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 288 Temperature: 1.200000 Total energy: -28.926106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.926106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.926106 (E_RNA) where: Base-Base interactions energy: -8.531 where: short stacking energy: -8.531 Base-Backbone interact. energy: -0.000 local terms energy: -20.395112 where: bonds (distance) C4'-P energy: -3.900 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.113 flat angles P-C4'-P energy: -2.879 tors. eta vs tors. theta energy: -2.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 288 Temperature: 1.250000 Total energy: -28.112671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.112671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.112671 (E_RNA) where: Base-Base interactions energy: -10.369 where: short stacking energy: -10.369 Base-Backbone interact. energy: -0.002 local terms energy: -17.742359 where: bonds (distance) C4'-P energy: -3.817 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -3.933 flat angles P-C4'-P energy: -3.027 tors. eta vs tors. theta energy: -1.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 288 Temperature: 1.300000 Total energy: -23.833650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.833650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.833650 (E_RNA) where: Base-Base interactions energy: -7.570 where: short stacking energy: -7.570 Base-Backbone interact. energy: -0.028 local terms energy: -16.236160 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.547 flat angles C4'-P-C4' energy: -0.849 flat angles P-C4'-P energy: -2.384 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: 10, replica: 5 ===================================== Write number: 288 Temperature: 1.350000 Total energy: -27.556823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.556823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.556823 (E_RNA) where: Base-Base interactions energy: -7.645 where: short stacking energy: -7.645 Base-Backbone interact. energy: -0.000 local terms energy: -19.911265 where: bonds (distance) C4'-P energy: -4.744 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -5.146 flat angles P-C4'-P energy: -3.029 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: 1, replica: 10 ===================================== Write number: 289 Temperature: 0.900000 Total energy: -36.855880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.855880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.855880 (E_RNA) where: Base-Base interactions energy: -15.668 where: short stacking energy: -15.668 Base-Backbone interact. energy: -0.001 local terms energy: -21.187461 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -4.240 flat angles P-C4'-P energy: -2.131 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: 2, replica: 4 ===================================== Write number: 289 Temperature: 0.950000 Total energy: -38.553110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.553110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.553110 (E_RNA) where: Base-Base interactions energy: -15.601 where: short stacking energy: -15.601 Base-Backbone interact. energy: -0.045 local terms energy: -22.907193 where: bonds (distance) C4'-P energy: -4.307 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.303 flat angles P-C4'-P energy: -3.607 tors. eta vs tors. theta energy: -4.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 289 Temperature: 1.000000 Total energy: -30.029345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.029345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.029345 (E_RNA) where: Base-Base interactions energy: -12.019 where: short stacking energy: -12.019 Base-Backbone interact. energy: -0.000 local terms energy: -18.010759 where: bonds (distance) C4'-P energy: -4.007 bonds (distance) P-C4' energy: -4.473 flat angles C4'-P-C4' energy: -5.590 flat angles P-C4'-P energy: -1.664 tors. eta vs tors. theta energy: -2.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 289 Temperature: 1.050000 Total energy: -28.020242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.020242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.020242 (E_RNA) where: Base-Base interactions energy: -12.289 where: short stacking energy: -12.589 Base-Backbone interact. energy: -0.000 local terms energy: -15.731065 where: bonds (distance) C4'-P energy: -3.010 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -3.358 flat angles P-C4'-P energy: -3.312 tors. eta vs tors. theta energy: -1.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 289 Temperature: 1.100000 Total energy: -28.184307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.184307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.184307 (E_RNA) where: Base-Base interactions energy: -11.463 where: short stacking energy: -11.463 Base-Backbone interact. energy: -0.007 local terms energy: -16.714453 where: bonds (distance) C4'-P energy: -4.111 bonds (distance) P-C4' energy: -4.761 flat angles C4'-P-C4' energy: -4.162 flat angles P-C4'-P energy: -2.068 tors. eta vs tors. theta energy: -1.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 289 Temperature: 1.150000 Total energy: -27.371579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.371579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.371579 (E_RNA) where: Base-Base interactions energy: -8.476 where: short stacking energy: -8.476 Base-Backbone interact. energy: -0.024 local terms energy: -18.871732 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -2.745 flat angles P-C4'-P energy: -1.955 tors. eta vs tors. theta energy: -3.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 289 Temperature: 1.200000 Total energy: -28.292525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.292525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.292525 (E_RNA) where: Base-Base interactions energy: -7.258 where: short stacking energy: -7.258 Base-Backbone interact. energy: -0.000 local terms energy: -21.034452 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.040 flat angles C4'-P-C4' energy: -5.329 flat angles P-C4'-P energy: -3.253 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: 9 ===================================== Write number: 289 Temperature: 1.250000 Total energy: -27.235851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.235851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.235851 (E_RNA) where: Base-Base interactions energy: -7.961 where: short stacking energy: -7.961 Base-Backbone interact. energy: -0.018 local terms energy: -19.256676 where: bonds (distance) C4'-P energy: -3.871 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -2.744 flat angles P-C4'-P energy: -4.206 tors. eta vs tors. theta energy: -2.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 289 Temperature: 1.300000 Total energy: -22.204262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.204262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.204262 (E_RNA) where: Base-Base interactions energy: -4.929 where: short stacking energy: -4.929 Base-Backbone interact. energy: -0.012 local terms energy: -17.262873 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -5.072 flat angles C4'-P-C4' energy: -4.351 flat angles P-C4'-P energy: -3.335 tors. eta vs tors. theta energy: 0.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 289 Temperature: 1.350000 Total energy: -29.732312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.732312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.732312 (E_RNA) where: Base-Base interactions energy: -10.085 where: short stacking energy: -10.085 Base-Backbone interact. energy: -0.000 local terms energy: -19.647086 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.202 flat angles C4'-P-C4' energy: -4.628 flat angles P-C4'-P energy: -1.872 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: 1, replica: 4 ===================================== Write number: 290 Temperature: 0.900000 Total energy: -32.235200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.235200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.235200 (E_RNA) where: Base-Base interactions energy: -12.878 where: short stacking energy: -12.878 Base-Backbone interact. energy: -0.003 local terms energy: -19.354577 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.543 flat angles P-C4'-P energy: -1.588 tors. eta vs tors. theta energy: -1.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 290 Temperature: 0.950000 Total energy: -35.005664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.005664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.005664 (E_RNA) where: Base-Base interactions energy: -12.149 where: short stacking energy: -12.149 Base-Backbone interact. energy: -0.003 local terms energy: -22.853322 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.787 flat angles C4'-P-C4' energy: -3.854 flat angles P-C4'-P energy: -4.202 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: 3, replica: 6 ===================================== Write number: 290 Temperature: 1.000000 Total energy: -29.084090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.084090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.084090 (E_RNA) where: Base-Base interactions energy: -8.461 where: short stacking energy: -8.461 Base-Backbone interact. energy: -0.001 local terms energy: -20.621339 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -3.604 flat angles P-C4'-P energy: -4.518 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: 4, replica: 1 ===================================== Write number: 290 Temperature: 1.050000 Total energy: -27.315305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.315305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.315305 (E_RNA) where: Base-Base interactions energy: -7.071 where: short stacking energy: -7.071 Base-Backbone interact. energy: -0.004 local terms energy: -20.239885 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -4.388 flat angles C4'-P-C4' energy: -4.639 flat angles P-C4'-P energy: -3.359 tors. eta vs tors. theta energy: -2.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 290 Temperature: 1.100000 Total energy: -33.465297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.465297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.465297 (E_RNA) where: Base-Base interactions energy: -10.163 where: short stacking energy: -10.163 Base-Backbone interact. energy: -0.007 local terms energy: -23.295562 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -5.283 flat angles C4'-P-C4' energy: -5.029 flat angles P-C4'-P energy: -2.610 tors. eta vs tors. theta energy: -5.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 290 Temperature: 1.150000 Total energy: -29.039613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.039613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.039613 (E_RNA) where: Base-Base interactions energy: -8.532 where: short stacking energy: -8.532 Base-Backbone interact. energy: -0.001 local terms energy: -20.505940 where: bonds (distance) C4'-P energy: -4.911 bonds (distance) P-C4' energy: -4.702 flat angles C4'-P-C4' energy: -5.628 flat angles P-C4'-P energy: -4.206 tors. eta vs tors. theta energy: -1.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 290 Temperature: 1.200000 Total energy: -27.077147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.077147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.077147 (E_RNA) where: Base-Base interactions energy: -8.966 where: short stacking energy: -8.966 Base-Backbone interact. energy: -0.000 local terms energy: -18.111246 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -5.100 flat angles C4'-P-C4' energy: -4.660 flat angles P-C4'-P energy: -1.330 tors. eta vs tors. theta energy: -1.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 290 Temperature: 1.250000 Total energy: -25.844644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.844644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.844644 (E_RNA) where: Base-Base interactions energy: -4.926 where: short stacking energy: -4.926 Base-Backbone interact. energy: -0.095 local terms energy: -20.824459 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.310 flat angles P-C4'-P energy: -3.595 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: 9, replica: 5 ===================================== Write number: 290 Temperature: 1.300000 Total energy: -23.491149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.491149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.491149 (E_RNA) where: Base-Base interactions energy: -6.963 where: short stacking energy: -6.963 Base-Backbone interact. energy: -0.001 local terms energy: -16.527912 where: bonds (distance) C4'-P energy: -2.771 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.712 flat angles P-C4'-P energy: -1.176 tors. eta vs tors. theta energy: -0.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 290 Temperature: 1.350000 Total energy: -30.422249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.422249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.422249 (E_RNA) where: Base-Base interactions energy: -12.461 where: short stacking energy: -12.461 Base-Backbone interact. energy: -0.000 local terms energy: -17.961253 where: bonds (distance) C4'-P energy: -3.197 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -2.731 flat angles P-C4'-P energy: -3.588 tors. eta vs tors. theta energy: -2.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 291 Temperature: 0.900000 Total energy: -33.375247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.375247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.375247 (E_RNA) where: Base-Base interactions energy: -11.952 where: short stacking energy: -11.952 Base-Backbone interact. energy: -0.000 local terms energy: -21.423012 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -2.528 flat angles C4'-P-C4' energy: -5.343 flat angles P-C4'-P energy: -4.074 tors. eta vs tors. theta energy: -4.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 291 Temperature: 0.950000 Total energy: -36.073024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.073024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.073024 (E_RNA) where: Base-Base interactions energy: -14.993 where: short stacking energy: -14.993 Base-Backbone interact. energy: -0.000 local terms energy: -21.079831 where: bonds (distance) C4'-P energy: -4.786 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -4.691 flat angles P-C4'-P energy: -2.590 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: 3, replica: 10 ===================================== Write number: 291 Temperature: 1.000000 Total energy: -35.339631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.339631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.339631 (E_RNA) where: Base-Base interactions energy: -11.076 where: short stacking energy: -11.076 Base-Backbone interact. energy: -0.000 local terms energy: -24.263773 where: bonds (distance) C4'-P energy: -4.981 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -4.929 flat angles P-C4'-P energy: -4.580 tors. eta vs tors. theta energy: -3.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 291 Temperature: 1.050000 Total energy: -30.705555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.705555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.705555 (E_RNA) where: Base-Base interactions energy: -12.586 where: short stacking energy: -12.586 Base-Backbone interact. energy: -0.000 local terms energy: -18.119455 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -4.723 flat angles P-C4'-P energy: -0.218 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: 5, replica: 1 ===================================== Write number: 291 Temperature: 1.100000 Total energy: -25.826269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.826269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.826269 (E_RNA) where: Base-Base interactions energy: -7.812 where: short stacking energy: -7.812 Base-Backbone interact. energy: -0.001 local terms energy: -18.013690 where: bonds (distance) C4'-P energy: -3.420 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.351 flat angles P-C4'-P energy: -2.630 tors. eta vs tors. theta energy: -1.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 291 Temperature: 1.150000 Total energy: -29.762754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.762754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.762754 (E_RNA) where: Base-Base interactions energy: -9.200 where: short stacking energy: -9.200 Base-Backbone interact. energy: -0.000 local terms energy: -20.562876 where: bonds (distance) C4'-P energy: -5.188 bonds (distance) P-C4' energy: -4.780 flat angles C4'-P-C4' energy: -4.249 flat angles P-C4'-P energy: -4.634 tors. eta vs tors. theta energy: -1.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 291 Temperature: 1.200000 Total energy: -34.582026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.582026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.582026 (E_RNA) where: Base-Base interactions energy: -16.874 where: short stacking energy: -16.874 Base-Backbone interact. energy: -0.000 local terms energy: -17.707531 where: bonds (distance) C4'-P energy: -4.405 bonds (distance) P-C4' energy: -3.440 flat angles C4'-P-C4' energy: -4.377 flat angles P-C4'-P energy: -2.687 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: 8, replica: 5 ===================================== Write number: 291 Temperature: 1.250000 Total energy: -25.536590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.536590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.536590 (E_RNA) where: Base-Base interactions energy: -6.845 where: short stacking energy: -6.845 Base-Backbone interact. energy: -0.095 local terms energy: -18.596502 where: bonds (distance) C4'-P energy: -4.451 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -5.225 flat angles P-C4'-P energy: -4.433 tors. eta vs tors. theta energy: 0.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 291 Temperature: 1.300000 Total energy: -25.748327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.748327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.748327 (E_RNA) where: Base-Base interactions energy: -7.252 where: short stacking energy: -7.252 Base-Backbone interact. energy: -0.003 local terms energy: -18.493072 where: bonds (distance) C4'-P energy: -4.405 bonds (distance) P-C4' energy: -5.498 flat angles C4'-P-C4' energy: -4.136 flat angles P-C4'-P energy: -3.391 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: 10, replica: 8 ===================================== Write number: 291 Temperature: 1.350000 Total energy: -25.776465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.776465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.776465 (E_RNA) where: Base-Base interactions energy: -6.703 where: short stacking energy: -6.703 Base-Backbone interact. energy: -0.002 local terms energy: -19.071838 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -4.879 flat angles C4'-P-C4' energy: -4.272 flat angles P-C4'-P energy: -4.094 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: 6 ===================================== Write number: 292 Temperature: 0.900000 Total energy: -40.611639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.611639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.611639 (E_RNA) where: Base-Base interactions energy: -15.475 where: short stacking energy: -15.475 Base-Backbone interact. energy: -0.000 local terms energy: -25.137006 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.064 flat angles P-C4'-P energy: -3.902 tors. eta vs tors. theta energy: -5.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 292 Temperature: 0.950000 Total energy: -29.209123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.209123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.209123 (E_RNA) where: Base-Base interactions energy: -7.847 where: short stacking energy: -7.847 Base-Backbone interact. energy: -0.083 local terms energy: -21.279264 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -5.724 flat angles C4'-P-C4' energy: -5.330 flat angles P-C4'-P energy: -3.940 tors. eta vs tors. theta energy: -1.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 292 Temperature: 1.000000 Total energy: -34.030921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.030921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.030921 (E_RNA) where: Base-Base interactions energy: -10.904 where: short stacking energy: -10.904 Base-Backbone interact. energy: -0.002 local terms energy: -23.124653 where: bonds (distance) C4'-P energy: -4.840 bonds (distance) P-C4' energy: -5.730 flat angles C4'-P-C4' energy: -5.182 flat angles P-C4'-P energy: -4.279 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: 4, replica: 10 ===================================== Write number: 292 Temperature: 1.050000 Total energy: -34.163919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.163919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.163919 (E_RNA) where: Base-Base interactions energy: -12.823 where: short stacking energy: -12.823 Base-Backbone interact. energy: -0.000 local terms energy: -21.341049 where: bonds (distance) C4'-P energy: -3.171 bonds (distance) P-C4' energy: -5.730 flat angles C4'-P-C4' energy: -4.976 flat angles P-C4'-P energy: -4.185 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: 5, replica: 9 ===================================== Write number: 292 Temperature: 1.100000 Total energy: -29.725244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.725244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.725244 (E_RNA) where: Base-Base interactions energy: -8.094 where: short stacking energy: -8.094 Base-Backbone interact. energy: -0.001 local terms energy: -21.630100 where: bonds (distance) C4'-P energy: -4.421 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.478 flat angles P-C4'-P energy: -3.498 tors. eta vs tors. theta energy: -2.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 292 Temperature: 1.150000 Total energy: -30.198497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.198497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.198497 (E_RNA) where: Base-Base interactions energy: -10.969 where: short stacking energy: -10.969 Base-Backbone interact. energy: -0.002 local terms energy: -19.226537 where: bonds (distance) C4'-P energy: -5.018 bonds (distance) P-C4' energy: -2.920 flat angles C4'-P-C4' energy: -5.275 flat angles P-C4'-P energy: -3.428 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: 7, replica: 5 ===================================== Write number: 292 Temperature: 1.200000 Total energy: -30.630565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.630565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.630565 (E_RNA) where: Base-Base interactions energy: -12.941 where: short stacking energy: -12.941 Base-Backbone interact. energy: -0.000 local terms energy: -17.689496 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -0.598 flat angles C4'-P-C4' energy: -4.213 flat angles P-C4'-P energy: -3.589 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: 8, replica: 7 ===================================== Write number: 292 Temperature: 1.250000 Total energy: -30.805436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.805436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.805436 (E_RNA) where: Base-Base interactions energy: -7.037 where: short stacking energy: -7.037 Base-Backbone interact. energy: -0.000 local terms energy: -23.768788 where: bonds (distance) C4'-P energy: -4.132 bonds (distance) P-C4' energy: -5.730 flat angles C4'-P-C4' energy: -5.588 flat angles P-C4'-P energy: -4.691 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: 9, replica: 8 ===================================== Write number: 292 Temperature: 1.300000 Total energy: -25.992140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.992140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.992140 (E_RNA) where: Base-Base interactions energy: -6.927 where: short stacking energy: -6.927 Base-Backbone interact. energy: -0.048 local terms energy: -19.017689 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -4.702 flat angles C4'-P-C4' energy: -4.273 flat angles P-C4'-P energy: -2.459 tors. eta vs tors. theta energy: -2.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 292 Temperature: 1.350000 Total energy: -25.099993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.099993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.099993 (E_RNA) where: Base-Base interactions energy: -9.883 where: short stacking energy: -9.883 Base-Backbone interact. energy: -0.008 local terms energy: -15.208866 where: bonds (distance) C4'-P energy: -4.165 bonds (distance) P-C4' energy: -3.283 flat angles C4'-P-C4' energy: -5.149 flat angles P-C4'-P energy: -0.293 tors. eta vs tors. theta energy: -2.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 293 Temperature: 0.900000 Total energy: -34.336478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.336478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.336478 (E_RNA) where: Base-Base interactions energy: -15.609 where: short stacking energy: -15.609 Base-Backbone interact. energy: -0.000 local terms energy: -18.727214 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -3.311 flat angles C4'-P-C4' energy: -3.197 flat angles P-C4'-P energy: -2.479 tors. eta vs tors. theta energy: -4.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 293 Temperature: 0.950000 Total energy: -34.520340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.520340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.520340 (E_RNA) where: Base-Base interactions energy: -12.580 where: short stacking energy: -12.580 Base-Backbone interact. energy: -0.000 local terms energy: -21.940386 where: bonds (distance) C4'-P energy: -4.787 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.782 flat angles P-C4'-P energy: -3.340 tors. eta vs tors. theta energy: -3.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 293 Temperature: 1.000000 Total energy: -33.456819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.456819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.456819 (E_RNA) where: Base-Base interactions energy: -12.056 where: short stacking energy: -12.056 Base-Backbone interact. energy: -0.068 local terms energy: -21.332627 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -2.948 flat angles C4'-P-C4' energy: -5.397 flat angles P-C4'-P energy: -3.829 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: 4, replica: 9 ===================================== Write number: 293 Temperature: 1.050000 Total energy: -32.778801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.778801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.778801 (E_RNA) where: Base-Base interactions energy: -10.469 where: short stacking energy: -10.469 Base-Backbone interact. energy: -0.000 local terms energy: -22.310043 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.209 flat angles P-C4'-P energy: -2.315 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: 5, replica: 10 ===================================== Write number: 293 Temperature: 1.100000 Total energy: -32.976119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.976119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.976119 (E_RNA) where: Base-Base interactions energy: -9.743 where: short stacking energy: -9.743 Base-Backbone interact. energy: -0.000 local terms energy: -23.233563 where: bonds (distance) C4'-P energy: -4.832 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -4.998 flat angles P-C4'-P energy: -3.062 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: 6, replica: 5 ===================================== Write number: 293 Temperature: 1.150000 Total energy: -30.782856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.782856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.782856 (E_RNA) where: Base-Base interactions energy: -11.071 where: short stacking energy: -11.071 Base-Backbone interact. energy: -0.000 local terms energy: -19.711494 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -3.954 flat angles P-C4'-P energy: -3.012 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: 7, replica: 1 ===================================== Write number: 293 Temperature: 1.200000 Total energy: -29.651436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.651436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.651436 (E_RNA) where: Base-Base interactions energy: -8.660 where: short stacking energy: -8.660 Base-Backbone interact. energy: -0.001 local terms energy: -20.989925 where: bonds (distance) C4'-P energy: -4.663 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -4.409 flat angles P-C4'-P energy: -3.337 tors. eta vs tors. theta energy: -3.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 293 Temperature: 1.250000 Total energy: -27.867239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.867239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.867239 (E_RNA) where: Base-Base interactions energy: -9.776 where: short stacking energy: -9.776 Base-Backbone interact. energy: -0.000 local terms energy: -18.091217 where: bonds (distance) C4'-P energy: -1.499 bonds (distance) P-C4' energy: -4.455 flat angles C4'-P-C4' energy: -5.401 flat angles P-C4'-P energy: -3.738 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: 9, replica: 7 ===================================== Write number: 293 Temperature: 1.300000 Total energy: -26.955780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.955780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.955780 (E_RNA) where: Base-Base interactions energy: -7.585 where: short stacking energy: -7.585 Base-Backbone interact. energy: -1.166 local terms energy: -18.205167 where: bonds (distance) C4'-P energy: -4.501 bonds (distance) P-C4' energy: -3.958 flat angles C4'-P-C4' energy: -4.700 flat angles P-C4'-P energy: -2.668 tors. eta vs tors. theta energy: -2.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 293 Temperature: 1.350000 Total energy: -28.700255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.700255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.700255 (E_RNA) where: Base-Base interactions energy: -7.850 where: short stacking energy: -7.850 Base-Backbone interact. energy: -0.000 local terms energy: -20.850123 where: bonds (distance) C4'-P energy: -4.563 bonds (distance) P-C4' energy: -5.463 flat angles C4'-P-C4' energy: -5.384 flat angles P-C4'-P energy: -3.142 tors. eta vs tors. theta energy: -2.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 294 Temperature: 0.900000 Total energy: -34.428972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.428972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.428972 (E_RNA) where: Base-Base interactions energy: -11.321 where: short stacking energy: -11.321 Base-Backbone interact. energy: -0.000 local terms energy: -23.107979 where: bonds (distance) C4'-P energy: -4.547 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.486 flat angles P-C4'-P energy: -4.080 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: 2, replica: 6 ===================================== Write number: 294 Temperature: 0.950000 Total energy: -37.301652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.301652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.301652 (E_RNA) where: Base-Base interactions energy: -16.905 where: short stacking energy: -16.905 Base-Backbone interact. energy: -0.000 local terms energy: -20.396154 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.485 flat angles P-C4'-P energy: -0.029 tors. eta vs tors. theta energy: -4.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 294 Temperature: 1.000000 Total energy: -32.124291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.124291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.124291 (E_RNA) where: Base-Base interactions energy: -13.424 where: short stacking energy: -13.424 Base-Backbone interact. energy: -0.000 local terms energy: -18.700449 where: bonds (distance) C4'-P energy: -2.977 bonds (distance) P-C4' energy: -5.522 flat angles C4'-P-C4' energy: -5.293 flat angles P-C4'-P energy: -2.351 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: 4, replica: 4 ===================================== Write number: 294 Temperature: 1.050000 Total energy: -32.092280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.092280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.092280 (E_RNA) where: Base-Base interactions energy: -13.519 where: short stacking energy: -13.519 Base-Backbone interact. energy: -0.010 local terms energy: -18.563690 where: bonds (distance) C4'-P energy: -5.097 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.740 flat angles P-C4'-P energy: -2.138 tors. eta vs tors. theta energy: -0.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 294 Temperature: 1.100000 Total energy: -32.157243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.157243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.157243 (E_RNA) where: Base-Base interactions energy: -10.995 where: short stacking energy: -10.995 Base-Backbone interact. energy: -0.094 local terms energy: -21.068944 where: bonds (distance) C4'-P energy: -3.279 bonds (distance) P-C4' energy: -5.072 flat angles C4'-P-C4' energy: -5.572 flat angles P-C4'-P energy: -4.343 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: 6, replica: 10 ===================================== Write number: 294 Temperature: 1.150000 Total energy: -25.537039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.537039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.537039 (E_RNA) where: Base-Base interactions energy: -6.295 where: short stacking energy: -6.295 Base-Backbone interact. energy: -0.003 local terms energy: -19.239386 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.374 flat angles P-C4'-P energy: -3.382 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: 7, replica: 8 ===================================== Write number: 294 Temperature: 1.200000 Total energy: -29.078281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.078281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.078281 (E_RNA) where: Base-Base interactions energy: -7.032 where: short stacking energy: -7.032 Base-Backbone interact. energy: -0.000 local terms energy: -22.045921 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.316 flat angles P-C4'-P energy: -3.625 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: 1 ===================================== Write number: 294 Temperature: 1.250000 Total energy: -24.934393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.934393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.934393 (E_RNA) where: Base-Base interactions energy: -5.395 where: short stacking energy: -5.395 Base-Backbone interact. energy: -0.000 local terms energy: -19.539222 where: bonds (distance) C4'-P energy: -4.307 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -3.325 flat angles P-C4'-P energy: -4.109 tors. eta vs tors. theta energy: -2.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 294 Temperature: 1.300000 Total energy: -25.277487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.277487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.277487 (E_RNA) where: Base-Base interactions energy: -3.593 where: short stacking energy: -3.593 Base-Backbone interact. energy: -0.000 local terms energy: -21.684272 where: bonds (distance) C4'-P energy: -4.617 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -4.828 flat angles P-C4'-P energy: -4.824 tors. eta vs tors. theta energy: -1.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 294 Temperature: 1.350000 Total energy: -28.525218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.525218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.525218 (E_RNA) where: Base-Base interactions energy: -11.079 where: short stacking energy: -11.079 Base-Backbone interact. energy: -0.000 local terms energy: -17.445440 where: bonds (distance) C4'-P energy: -2.477 bonds (distance) P-C4' energy: -3.759 flat angles C4'-P-C4' energy: -4.401 flat angles P-C4'-P energy: -4.620 tors. eta vs tors. theta energy: -2.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 295 Temperature: 0.900000 Total energy: -36.976194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.976194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.976194 (E_RNA) where: Base-Base interactions energy: -15.112 where: short stacking energy: -15.112 Base-Backbone interact. energy: -0.003 local terms energy: -21.861419 where: bonds (distance) C4'-P energy: -4.744 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -3.267 flat angles P-C4'-P energy: -4.553 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: 2, replica: 9 ===================================== Write number: 295 Temperature: 0.950000 Total energy: -32.422382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.422382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.422382 (E_RNA) where: Base-Base interactions energy: -9.663 where: short stacking energy: -9.663 Base-Backbone interact. energy: -0.000 local terms energy: -22.759720 where: bonds (distance) C4'-P energy: -3.863 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.038 flat angles P-C4'-P energy: -4.024 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: 3, replica: 6 ===================================== Write number: 295 Temperature: 1.000000 Total energy: -35.889965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.889965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.889965 (E_RNA) where: Base-Base interactions energy: -13.527 where: short stacking energy: -13.527 Base-Backbone interact. energy: -0.000 local terms energy: -22.362946 where: bonds (distance) C4'-P energy: -3.668 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.554 flat angles P-C4'-P energy: -2.724 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: 4, replica: 4 ===================================== Write number: 295 Temperature: 1.050000 Total energy: -32.193441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.193441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.193441 (E_RNA) where: Base-Base interactions energy: -11.370 where: short stacking energy: -11.370 Base-Backbone interact. energy: -0.000 local terms energy: -20.823530 where: bonds (distance) C4'-P energy: -4.120 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.057 flat angles P-C4'-P energy: -3.820 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: 5, replica: 5 ===================================== Write number: 295 Temperature: 1.100000 Total energy: -27.856944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.856944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.856944 (E_RNA) where: Base-Base interactions energy: -6.832 where: short stacking energy: -6.832 Base-Backbone interact. energy: -0.069 local terms energy: -20.956297 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.605 flat angles P-C4'-P energy: -3.851 tors. eta vs tors. theta energy: -0.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 295 Temperature: 1.150000 Total energy: -29.375440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.375440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.375440 (E_RNA) where: Base-Base interactions energy: -11.384 where: short stacking energy: -11.384 Base-Backbone interact. energy: -0.001 local terms energy: -17.991214 where: bonds (distance) C4'-P energy: -4.227 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -4.957 flat angles P-C4'-P energy: -3.067 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: 10 ===================================== Write number: 295 Temperature: 1.200000 Total energy: -25.281079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.281079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.281079 (E_RNA) where: Base-Base interactions energy: -7.557 where: short stacking energy: -7.557 Base-Backbone interact. energy: -0.117 local terms energy: -17.606800 where: bonds (distance) C4'-P energy: -4.628 bonds (distance) P-C4' energy: -4.939 flat angles C4'-P-C4' energy: -4.048 flat angles P-C4'-P energy: -1.579 tors. eta vs tors. theta energy: -2.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 295 Temperature: 1.250000 Total energy: -32.375930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.375930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.375930 (E_RNA) where: Base-Base interactions energy: -10.588 where: short stacking energy: -10.588 Base-Backbone interact. energy: -0.022 local terms energy: -21.765532 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.166 flat angles P-C4'-P energy: -2.850 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: 9, replica: 2 ===================================== Write number: 295 Temperature: 1.300000 Total energy: -25.137878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.137878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.137878 (E_RNA) where: Base-Base interactions energy: -7.892 where: short stacking energy: -7.892 Base-Backbone interact. energy: -0.023 local terms energy: -17.222604 where: bonds (distance) C4'-P energy: -4.227 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -3.233 flat angles P-C4'-P energy: -2.165 tors. eta vs tors. theta energy: -1.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 295 Temperature: 1.350000 Total energy: -29.109260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.109260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.109260 (E_RNA) where: Base-Base interactions energy: -9.290 where: short stacking energy: -9.290 Base-Backbone interact. energy: -0.000 local terms energy: -19.819657 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -2.860 flat angles C4'-P-C4' energy: -4.938 flat angles P-C4'-P energy: -3.257 tors. eta vs tors. theta energy: -3.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 296 Temperature: 0.900000 Total energy: -34.708761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.708761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.708761 (E_RNA) where: Base-Base interactions energy: -14.188 where: short stacking energy: -14.188 Base-Backbone interact. energy: -0.000 local terms energy: -20.520324 where: bonds (distance) C4'-P energy: -4.609 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -2.651 flat angles P-C4'-P energy: -1.662 tors. eta vs tors. theta energy: -5.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 296 Temperature: 0.950000 Total energy: -32.848377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.848377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.848377 (E_RNA) where: Base-Base interactions energy: -11.623 where: short stacking energy: -11.623 Base-Backbone interact. energy: -0.001 local terms energy: -21.224193 where: bonds (distance) C4'-P energy: -3.652 bonds (distance) P-C4' energy: -5.998 flat angles C4'-P-C4' energy: -3.851 flat angles P-C4'-P energy: -4.257 tors. eta vs tors. theta energy: -3.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 296 Temperature: 1.000000 Total energy: -38.235940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.235940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.235940 (E_RNA) where: Base-Base interactions energy: -16.700 where: short stacking energy: -16.700 Base-Backbone interact. energy: -0.000 local terms energy: -21.535947 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -4.649 flat angles C4'-P-C4' energy: -4.564 flat angles P-C4'-P energy: -3.666 tors. eta vs tors. theta energy: -3.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 296 Temperature: 1.050000 Total energy: -29.017035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.017035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.017035 (E_RNA) where: Base-Base interactions energy: -12.584 where: short stacking energy: -12.584 Base-Backbone interact. energy: -0.030 local terms energy: -16.402874 where: bonds (distance) C4'-P energy: -3.243 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -4.237 flat angles P-C4'-P energy: -3.190 tors. eta vs tors. theta energy: -0.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 296 Temperature: 1.100000 Total energy: -30.180412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.180412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.180412 (E_RNA) where: Base-Base interactions energy: -10.699 where: short stacking energy: -10.699 Base-Backbone interact. energy: -0.000 local terms energy: -19.480831 where: bonds (distance) C4'-P energy: -3.475 bonds (distance) P-C4' energy: -4.057 flat angles C4'-P-C4' energy: -4.852 flat angles P-C4'-P energy: -4.612 tors. eta vs tors. theta energy: -2.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 296 Temperature: 1.150000 Total energy: -30.013900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.013900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.013900 (E_RNA) where: Base-Base interactions energy: -11.807 where: short stacking energy: -11.807 Base-Backbone interact. energy: -0.011 local terms energy: -18.195589 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.406 flat angles P-C4'-P energy: -2.772 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: 7, replica: 1 ===================================== Write number: 296 Temperature: 1.200000 Total energy: -28.186922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.186922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.186922 (E_RNA) where: Base-Base interactions energy: -6.853 where: short stacking energy: -6.853 Base-Backbone interact. energy: -0.026 local terms energy: -21.308059 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -4.195 flat angles P-C4'-P energy: -4.124 tors. eta vs tors. theta energy: -1.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 296 Temperature: 1.250000 Total energy: -25.446822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.446822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.446822 (E_RNA) where: Base-Base interactions energy: -6.935 where: short stacking energy: -6.935 Base-Backbone interact. energy: -0.048 local terms energy: -18.464029 where: bonds (distance) C4'-P energy: -3.979 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.952 flat angles P-C4'-P energy: -2.639 tors. eta vs tors. theta energy: -0.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 296 Temperature: 1.300000 Total energy: -27.547763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.547763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.547763 (E_RNA) where: Base-Base interactions energy: -6.667 where: short stacking energy: -6.667 Base-Backbone interact. energy: -0.002 local terms energy: -20.878469 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.532 flat angles P-C4'-P energy: -4.098 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: 10, replica: 2 ===================================== Write number: 296 Temperature: 1.350000 Total energy: -25.811691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.811691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.811691 (E_RNA) where: Base-Base interactions energy: -9.708 where: short stacking energy: -9.708 Base-Backbone interact. energy: -0.018 local terms energy: -16.086213 where: bonds (distance) C4'-P energy: -1.652 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -5.805 flat angles P-C4'-P energy: -2.452 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: 3 ===================================== Write number: 297 Temperature: 0.900000 Total energy: -40.759200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.759200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.759200 (E_RNA) where: Base-Base interactions energy: -16.156 where: short stacking energy: -16.156 Base-Backbone interact. energy: -0.000 local terms energy: -24.602821 where: bonds (distance) C4'-P energy: -4.013 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.848 flat angles P-C4'-P energy: -4.458 tors. eta vs tors. theta energy: -5.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 297 Temperature: 0.950000 Total energy: -34.239046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.239046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.239046 (E_RNA) where: Base-Base interactions energy: -13.839 where: short stacking energy: -13.839 Base-Backbone interact. energy: -0.000 local terms energy: -20.400254 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -5.498 flat angles C4'-P-C4' energy: -3.800 flat angles P-C4'-P energy: -3.565 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: 9 ===================================== Write number: 297 Temperature: 1.000000 Total energy: -32.572367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.572367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.572367 (E_RNA) where: Base-Base interactions energy: -7.910 where: short stacking energy: -7.910 Base-Backbone interact. energy: -0.000 local terms energy: -24.662059 where: bonds (distance) C4'-P energy: -4.609 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.466 flat angles P-C4'-P energy: -4.710 tors. eta vs tors. theta energy: -3.889 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: 8 ===================================== Write number: 297 Temperature: 1.050000 Total energy: -33.869056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.869056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.869056 (E_RNA) where: Base-Base interactions energy: -10.867 where: short stacking energy: -10.867 Base-Backbone interact. energy: -0.053 local terms energy: -22.948904 where: bonds (distance) C4'-P energy: -4.369 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.653 flat angles P-C4'-P energy: -4.037 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: 5, replica: 4 ===================================== Write number: 297 Temperature: 1.100000 Total energy: -33.073034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.073034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.073034 (E_RNA) where: Base-Base interactions energy: -10.988 where: short stacking energy: -10.988 Base-Backbone interact. energy: -0.002 local terms energy: -22.083372 where: bonds (distance) C4'-P energy: -3.545 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -4.657 flat angles P-C4'-P energy: -4.323 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: 6, replica: 1 ===================================== Write number: 297 Temperature: 1.150000 Total energy: -30.281287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.281287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.281287 (E_RNA) where: Base-Base interactions energy: -12.659 where: short stacking energy: -12.659 Base-Backbone interact. energy: -0.000 local terms energy: -17.622129 where: bonds (distance) C4'-P energy: -3.127 bonds (distance) P-C4' energy: -3.734 flat angles C4'-P-C4' energy: -5.045 flat angles P-C4'-P energy: -3.700 tors. eta vs tors. theta energy: -2.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 297 Temperature: 1.200000 Total energy: -25.886350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.886350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.886350 (E_RNA) where: Base-Base interactions energy: -6.641 where: short stacking energy: -6.641 Base-Backbone interact. energy: -0.000 local terms energy: -19.245635 where: bonds (distance) C4'-P energy: -4.016 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.720 flat angles P-C4'-P energy: -3.023 tors. eta vs tors. theta energy: -1.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 297 Temperature: 1.250000 Total energy: -26.352679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.352679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.352679 (E_RNA) where: Base-Base interactions energy: -6.787 where: short stacking energy: -6.787 Base-Backbone interact. energy: -0.091 local terms energy: -19.473996 where: bonds (distance) C4'-P energy: -5.196 bonds (distance) P-C4' energy: -5.043 flat angles C4'-P-C4' energy: -4.291 flat angles P-C4'-P energy: -3.413 tors. eta vs tors. theta energy: -1.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 297 Temperature: 1.300000 Total energy: -23.418413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.418413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.418413 (E_RNA) where: Base-Base interactions energy: -3.274 where: short stacking energy: -3.274 Base-Backbone interact. energy: -0.029 local terms energy: -20.115627 where: bonds (distance) C4'-P energy: -4.989 bonds (distance) P-C4' energy: -5.551 flat angles C4'-P-C4' energy: -5.115 flat angles P-C4'-P energy: -2.240 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: 10, replica: 2 ===================================== Write number: 297 Temperature: 1.350000 Total energy: -27.618275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.618275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.618275 (E_RNA) where: Base-Base interactions energy: -10.306 where: short stacking energy: -10.306 Base-Backbone interact. energy: -0.008 local terms energy: -17.303570 where: bonds (distance) C4'-P energy: -3.127 bonds (distance) P-C4' energy: -4.022 flat angles C4'-P-C4' energy: -5.007 flat angles P-C4'-P energy: -2.640 tors. eta vs tors. theta energy: -2.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 298 Temperature: 0.900000 Total energy: -34.131773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.131773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.131773 (E_RNA) where: Base-Base interactions energy: -15.400 where: short stacking energy: -15.400 Base-Backbone interact. energy: -0.008 local terms energy: -18.722843 where: bonds (distance) C4'-P energy: -3.764 bonds (distance) P-C4' energy: -4.678 flat angles C4'-P-C4' energy: -4.537 flat angles P-C4'-P energy: -2.841 tors. eta vs tors. theta energy: -2.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 298 Temperature: 0.950000 Total energy: -35.579010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.579010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.579010 (E_RNA) where: Base-Base interactions energy: -12.566 where: short stacking energy: -12.566 Base-Backbone interact. energy: -0.016 local terms energy: -22.996988 where: bonds (distance) C4'-P energy: -4.609 bonds (distance) P-C4' energy: -5.516 flat angles C4'-P-C4' energy: -4.301 flat angles P-C4'-P energy: -3.886 tors. eta vs tors. theta energy: -4.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 298 Temperature: 1.000000 Total energy: -27.499766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.499766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.499766 (E_RNA) where: Base-Base interactions energy: -6.218 where: short stacking energy: -6.218 Base-Backbone interact. energy: -0.005 local terms energy: -21.277340 where: bonds (distance) C4'-P energy: -4.513 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -4.208 flat angles P-C4'-P energy: -4.037 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: 4, replica: 9 ===================================== Write number: 298 Temperature: 1.050000 Total energy: -28.143759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.143759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.143759 (E_RNA) where: Base-Base interactions energy: -7.644 where: short stacking energy: -7.644 Base-Backbone interact. energy: -0.097 local terms energy: -20.402606 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.625 flat angles P-C4'-P energy: -2.934 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: 5, replica: 4 ===================================== Write number: 298 Temperature: 1.100000 Total energy: -26.610210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.610210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.610210 (E_RNA) where: Base-Base interactions energy: -10.053 where: short stacking energy: -8.455 Base-Backbone interact. energy: -0.008 local terms energy: -16.549235 where: bonds (distance) C4'-P energy: -2.745 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -4.693 flat angles P-C4'-P energy: -2.069 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: 6, replica: 1 ===================================== Write number: 298 Temperature: 1.150000 Total energy: -30.927991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.927991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.927991 (E_RNA) where: Base-Base interactions energy: -8.818 where: short stacking energy: -9.178 Base-Backbone interact. energy: -0.000 local terms energy: -22.109504 where: bonds (distance) C4'-P energy: -5.188 bonds (distance) P-C4' energy: -5.516 flat angles C4'-P-C4' energy: -4.378 flat angles P-C4'-P energy: -3.451 tors. eta vs tors. theta energy: -3.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 298 Temperature: 1.200000 Total energy: -29.958595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.958595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.958595 (E_RNA) where: Base-Base interactions energy: -12.513 where: short stacking energy: -12.513 Base-Backbone interact. energy: -0.001 local terms energy: -17.445026 where: bonds (distance) C4'-P energy: -2.477 bonds (distance) P-C4' energy: -3.761 flat angles C4'-P-C4' energy: -4.389 flat angles P-C4'-P energy: -2.702 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: 5 ===================================== Write number: 298 Temperature: 1.250000 Total energy: -31.544791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.544791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.544791 (E_RNA) where: Base-Base interactions energy: -12.816 where: short stacking energy: -12.816 Base-Backbone interact. energy: -0.094 local terms energy: -18.634341 where: bonds (distance) C4'-P energy: -4.413 bonds (distance) P-C4' energy: -5.065 flat angles C4'-P-C4' energy: -2.735 flat angles P-C4'-P energy: -4.294 tors. eta vs tors. theta energy: -2.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 298 Temperature: 1.300000 Total energy: -30.780940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.780940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.780940 (E_RNA) where: Base-Base interactions energy: -10.756 where: short stacking energy: -10.756 Base-Backbone interact. energy: -0.021 local terms energy: -20.003827 where: bonds (distance) C4'-P energy: -3.775 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.459 flat angles P-C4'-P energy: -2.688 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: 10, replica: 7 ===================================== Write number: 298 Temperature: 1.350000 Total energy: -28.486023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.486023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.486023 (E_RNA) where: Base-Base interactions energy: -9.511 where: short stacking energy: -9.511 Base-Backbone interact. energy: -0.000 local terms energy: -18.975379 where: bonds (distance) C4'-P energy: -3.909 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -2.203 flat angles P-C4'-P energy: -3.744 tors. eta vs tors. theta energy: -3.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 299 Temperature: 0.900000 Total energy: -33.215650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.215650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.215650 (E_RNA) where: Base-Base interactions energy: -11.753 where: short stacking energy: -11.753 Base-Backbone interact. energy: -0.001 local terms energy: -21.461753 where: bonds (distance) C4'-P energy: -4.307 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -5.306 flat angles P-C4'-P energy: -3.443 tors. eta vs tors. theta energy: -2.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 299 Temperature: 0.950000 Total energy: -32.577410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.577410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.577410 (E_RNA) where: Base-Base interactions energy: -12.670 where: short stacking energy: -12.670 Base-Backbone interact. energy: -0.000 local terms energy: -19.907668 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -4.258 flat angles C4'-P-C4' energy: -4.299 flat angles P-C4'-P energy: -3.339 tors. eta vs tors. theta energy: -3.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 299 Temperature: 1.000000 Total energy: -32.854648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.854648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.854648 (E_RNA) where: Base-Base interactions energy: -12.480 where: short stacking energy: -12.480 Base-Backbone interact. energy: -0.000 local terms energy: -20.374774 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -4.448 flat angles C4'-P-C4' energy: -4.026 flat angles P-C4'-P energy: -3.120 tors. eta vs tors. theta energy: -3.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 299 Temperature: 1.050000 Total energy: -33.778357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.778357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.778357 (E_RNA) where: Base-Base interactions energy: -12.143 where: short stacking energy: -12.143 Base-Backbone interact. energy: -0.000 local terms energy: -21.635192 where: bonds (distance) C4'-P energy: -4.567 bonds (distance) P-C4' energy: -5.734 flat angles C4'-P-C4' energy: -4.214 flat angles P-C4'-P energy: -2.661 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: 5, replica: 9 ===================================== Write number: 299 Temperature: 1.100000 Total energy: -31.114472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.114472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.114472 (E_RNA) where: Base-Base interactions energy: -10.346 where: short stacking energy: -10.346 Base-Backbone interact. energy: -0.100 local terms energy: -20.668862 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -4.224 flat angles C4'-P-C4' energy: -4.711 flat angles P-C4'-P energy: -3.959 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: 6, replica: 10 ===================================== Write number: 299 Temperature: 1.150000 Total energy: -25.740217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.740217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.740217 (E_RNA) where: Base-Base interactions energy: -7.631 where: short stacking energy: -7.631 Base-Backbone interact. energy: -0.000 local terms energy: -18.108804 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -3.544 flat angles C4'-P-C4' energy: -5.318 flat angles P-C4'-P energy: -2.665 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: 7, replica: 1 ===================================== Write number: 299 Temperature: 1.200000 Total energy: -24.977620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.977620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.977620 (E_RNA) where: Base-Base interactions energy: -9.257 where: short stacking energy: -9.257 Base-Backbone interact. energy: -0.086 local terms energy: -15.635240 where: bonds (distance) C4'-P energy: -2.887 bonds (distance) P-C4' energy: -4.423 flat angles C4'-P-C4' energy: -2.715 flat angles P-C4'-P energy: -2.622 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: 2 ===================================== Write number: 299 Temperature: 1.250000 Total energy: -23.428586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.428586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.428586 (E_RNA) where: Base-Base interactions energy: -7.188 where: short stacking energy: -7.188 Base-Backbone interact. energy: -0.002 local terms energy: -16.238625 where: bonds (distance) C4'-P energy: -3.350 bonds (distance) P-C4' energy: -5.025 flat angles C4'-P-C4' energy: -2.764 flat angles P-C4'-P energy: -2.237 tors. eta vs tors. theta energy: -2.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 299 Temperature: 1.300000 Total energy: -29.199783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.199783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.199783 (E_RNA) where: Base-Base interactions energy: -8.173 where: short stacking energy: -8.173 Base-Backbone interact. energy: -0.001 local terms energy: -21.026289 where: bonds (distance) C4'-P energy: -4.617 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.505 flat angles P-C4'-P energy: -4.110 tors. eta vs tors. theta energy: -0.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 299 Temperature: 1.350000 Total energy: -22.874697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.874697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.874697 (E_RNA) where: Base-Base interactions energy: -4.709 where: short stacking energy: -4.709 Base-Backbone interact. energy: -0.099 local terms energy: -18.065958 where: bonds (distance) C4'-P energy: -5.089 bonds (distance) P-C4' energy: -5.540 flat angles C4'-P-C4' energy: -2.885 flat angles P-C4'-P energy: -4.235 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: 300 Temperature: 0.900000 Total energy: -35.537874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.537874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.537874 (E_RNA) where: Base-Base interactions energy: -11.701 where: short stacking energy: -11.701 Base-Backbone interact. energy: -0.000 local terms energy: -23.837021 where: bonds (distance) C4'-P energy: -5.188 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -4.899 flat angles P-C4'-P energy: -3.559 tors. eta vs tors. theta energy: -4.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 300 Temperature: 0.950000 Total energy: -32.028566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.028566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.028566 (E_RNA) where: Base-Base interactions energy: -10.892 where: short stacking energy: -10.892 Base-Backbone interact. energy: -0.000 local terms energy: -21.136340 where: bonds (distance) C4'-P energy: -4.111 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -3.198 flat angles P-C4'-P energy: -3.354 tors. eta vs tors. theta energy: -4.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 300 Temperature: 1.000000 Total energy: -31.429761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.429761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.429761 (E_RNA) where: Base-Base interactions energy: -9.449 where: short stacking energy: -9.449 Base-Backbone interact. energy: -0.000 local terms energy: -21.980213 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.742 flat angles P-C4'-P energy: -2.934 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: 3 ===================================== Write number: 300 Temperature: 1.050000 Total energy: -29.328385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.328385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.328385 (E_RNA) where: Base-Base interactions energy: -10.171 where: short stacking energy: -10.171 Base-Backbone interact. energy: -0.000 local terms energy: -19.156860 where: bonds (distance) C4'-P energy: -4.261 bonds (distance) P-C4' energy: -5.283 flat angles C4'-P-C4' energy: -2.294 flat angles P-C4'-P energy: -3.788 tors. eta vs tors. theta energy: -3.531 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: 5, replica: 10 ===================================== Write number: 300 Temperature: 1.100000 Total energy: -34.865242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.865242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.865242 (E_RNA) where: Base-Base interactions energy: -13.215 where: short stacking energy: -13.215 Base-Backbone interact. energy: -0.000 local terms energy: -21.650023 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.409 flat angles P-C4'-P energy: -1.814 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: 6, replica: 9 ===================================== Write number: 300 Temperature: 1.150000 Total energy: -30.776275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.776275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.776275 (E_RNA) where: Base-Base interactions energy: -11.025 where: short stacking energy: -11.025 Base-Backbone interact. energy: -0.000 local terms energy: -19.750852 where: bonds (distance) C4'-P energy: -4.173 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -3.846 flat angles P-C4'-P energy: -2.717 tors. eta vs tors. theta energy: -3.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 300 Temperature: 1.200000 Total energy: -30.560475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.560475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.560475 (E_RNA) where: Base-Base interactions energy: -10.097 where: short stacking energy: -10.097 Base-Backbone interact. energy: -0.000 local terms energy: -20.463545 where: bonds (distance) C4'-P energy: -4.485 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.342 flat angles P-C4'-P energy: -2.800 tors. eta vs tors. theta energy: -2.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 300 Temperature: 1.250000 Total energy: -27.256033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.256033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.256033 (E_RNA) where: Base-Base interactions energy: -8.090 where: short stacking energy: -8.090 Base-Backbone interact. energy: -0.029 local terms energy: -19.137080 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -2.515 flat angles P-C4'-P energy: -3.406 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: 9, replica: 7 ===================================== Write number: 300 Temperature: 1.300000 Total energy: -24.943636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.943636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.943636 (E_RNA) where: Base-Base interactions energy: -6.760 where: short stacking energy: -6.760 Base-Backbone interact. energy: -0.183 local terms energy: -18.000465 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -3.679 flat angles P-C4'-P energy: -4.560 tors. eta vs tors. theta energy: 0.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 300 Temperature: 1.350000 Total energy: -24.146604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.146604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.146604 (E_RNA) where: Base-Base interactions energy: -9.453 where: short stacking energy: -9.453 Base-Backbone interact. energy: -0.000 local terms energy: -14.693924 where: bonds (distance) C4'-P energy: -3.760 bonds (distance) P-C4' energy: -3.144 flat angles C4'-P-C4' energy: -4.622 flat angles P-C4'-P energy: -3.340 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: 1, replica: 8 ===================================== Write number: 301 Temperature: 0.900000 Total energy: -38.717926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.717926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.717926 (E_RNA) where: Base-Base interactions energy: -15.811 where: short stacking energy: -15.811 Base-Backbone interact. energy: -0.004 local terms energy: -22.902471 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -4.124 flat angles P-C4'-P energy: -4.171 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: 2, replica: 4 ===================================== Write number: 301 Temperature: 0.950000 Total energy: -33.280713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.280713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.280713 (E_RNA) where: Base-Base interactions energy: -12.655 where: short stacking energy: -12.655 Base-Backbone interact. energy: -0.000 local terms energy: -20.625488 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -5.054 flat angles P-C4'-P energy: -2.602 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: 301 Temperature: 1.000000 Total energy: -36.663371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.663371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.663371 (E_RNA) where: Base-Base interactions energy: -15.590 where: short stacking energy: -15.590 Base-Backbone interact. energy: -0.000 local terms energy: -21.073146 where: bonds (distance) C4'-P energy: -4.025 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.237 flat angles P-C4'-P energy: -2.687 tors. eta vs tors. theta energy: -4.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 301 Temperature: 1.050000 Total energy: -30.677093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.677093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.677093 (E_RNA) where: Base-Base interactions energy: -9.304 where: short stacking energy: -9.304 Base-Backbone interact. energy: -0.000 local terms energy: -21.372708 where: bonds (distance) C4'-P energy: -4.451 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -2.989 flat angles P-C4'-P energy: -4.938 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: 5, replica: 3 ===================================== Write number: 301 Temperature: 1.100000 Total energy: -35.226410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.226410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.226410 (E_RNA) where: Base-Base interactions energy: -15.329 where: short stacking energy: -15.329 Base-Backbone interact. energy: -0.000 local terms energy: -19.897716 where: bonds (distance) C4'-P energy: -3.279 bonds (distance) P-C4' energy: -4.782 flat angles C4'-P-C4' energy: -5.323 flat angles P-C4'-P energy: -3.861 tors. eta vs tors. theta energy: -2.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 301 Temperature: 1.150000 Total energy: -25.380482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.380482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.380482 (E_RNA) where: Base-Base interactions energy: -7.486 where: short stacking energy: -7.486 Base-Backbone interact. energy: -0.028 local terms energy: -17.866260 where: bonds (distance) C4'-P energy: -4.538 bonds (distance) P-C4' energy: -3.448 flat angles C4'-P-C4' energy: -4.772 flat angles P-C4'-P energy: -3.953 tors. eta vs tors. theta energy: -1.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 301 Temperature: 1.200000 Total energy: -30.300168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.300168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.300168 (E_RNA) where: Base-Base interactions energy: -8.530 where: short stacking energy: -8.530 Base-Backbone interact. energy: -0.000 local terms energy: -21.769720 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -4.221 flat angles P-C4'-P energy: -4.002 tors. eta vs tors. theta energy: -2.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 301 Temperature: 1.250000 Total energy: -26.984428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.984428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.984428 (E_RNA) where: Base-Base interactions energy: -9.281 where: short stacking energy: -9.281 Base-Backbone interact. energy: -0.000 local terms energy: -17.703098 where: bonds (distance) C4'-P energy: -1.367 bonds (distance) P-C4' energy: -4.860 flat angles C4'-P-C4' energy: -4.884 flat angles P-C4'-P energy: -2.620 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: 9, replica: 1 ===================================== Write number: 301 Temperature: 1.300000 Total energy: -22.807720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.807720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.807720 (E_RNA) where: Base-Base interactions energy: -4.212 where: short stacking energy: -4.212 Base-Backbone interact. energy: -0.660 local terms energy: -17.936223 where: bonds (distance) C4'-P energy: -3.192 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -4.080 flat angles P-C4'-P energy: -4.471 tors. eta vs tors. theta energy: -0.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 301 Temperature: 1.350000 Total energy: -26.513497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.513497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.513497 (E_RNA) where: Base-Base interactions energy: -8.758 where: short stacking energy: -8.758 Base-Backbone interact. energy: 1.049 local terms energy: -18.805082 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.565 flat angles P-C4'-P energy: -2.447 tors. eta vs tors. theta energy: -0.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 302 Temperature: 0.900000 Total energy: -32.758015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.758015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.758015 (E_RNA) where: Base-Base interactions energy: -13.403 where: short stacking energy: -13.403 Base-Backbone interact. energy: -0.000 local terms energy: -19.354961 where: bonds (distance) C4'-P energy: -4.513 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -4.622 flat angles P-C4'-P energy: -3.688 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: 2, replica: 8 ===================================== Write number: 302 Temperature: 0.950000 Total energy: -32.513840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.513840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.513840 (E_RNA) where: Base-Base interactions energy: -11.140 where: short stacking energy: -11.140 Base-Backbone interact. energy: -0.000 local terms energy: -21.373989 where: bonds (distance) C4'-P energy: -4.501 bonds (distance) P-C4' energy: -4.473 flat angles C4'-P-C4' energy: -4.330 flat angles P-C4'-P energy: -4.209 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: 3, replica: 6 ===================================== Write number: 302 Temperature: 1.000000 Total energy: -30.805537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.805537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.805537 (E_RNA) where: Base-Base interactions energy: -10.546 where: short stacking energy: -10.546 Base-Backbone interact. energy: -0.011 local terms energy: -20.248306 where: bonds (distance) C4'-P energy: -4.529 bonds (distance) P-C4' energy: -4.639 flat angles C4'-P-C4' energy: -5.271 flat angles P-C4'-P energy: -4.525 tors. eta vs tors. theta energy: -1.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 302 Temperature: 1.050000 Total energy: -27.049767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.049767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.049767 (E_RNA) where: Base-Base interactions energy: -10.136 where: short stacking energy: -10.236 Base-Backbone interact. energy: -0.026 local terms energy: -16.888331 where: bonds (distance) C4'-P energy: -4.663 bonds (distance) P-C4' energy: -4.942 flat angles C4'-P-C4' energy: -3.014 flat angles P-C4'-P energy: -3.733 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: 2 ===================================== Write number: 302 Temperature: 1.100000 Total energy: -30.280670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.280670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.280670 (E_RNA) where: Base-Base interactions energy: -10.887 where: short stacking energy: -10.887 Base-Backbone interact. energy: -0.001 local terms energy: -19.393022 where: bonds (distance) C4'-P energy: -4.103 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -5.006 flat angles P-C4'-P energy: -1.159 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: 6, replica: 3 ===================================== Write number: 302 Temperature: 1.150000 Total energy: -31.176964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.176964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.176964 (E_RNA) where: Base-Base interactions energy: -10.411 where: short stacking energy: -10.411 Base-Backbone interact. energy: -0.000 local terms energy: -20.766262 where: bonds (distance) C4'-P energy: -4.297 bonds (distance) P-C4' energy: -2.464 flat angles C4'-P-C4' energy: -4.298 flat angles P-C4'-P energy: -4.437 tors. eta vs tors. theta energy: -5.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 302 Temperature: 1.200000 Total energy: -25.247495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.247495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.247495 (E_RNA) where: Base-Base interactions energy: -8.323 where: short stacking energy: -8.323 Base-Backbone interact. energy: -0.135 local terms energy: -16.789346 where: bonds (distance) C4'-P energy: -4.397 bonds (distance) P-C4' energy: -5.305 flat angles C4'-P-C4' energy: -3.821 flat angles P-C4'-P energy: -2.211 tors. eta vs tors. theta energy: -1.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 302 Temperature: 1.250000 Total energy: -24.253472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.253472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.253472 (E_RNA) where: Base-Base interactions energy: -7.477 where: short stacking energy: -7.477 Base-Backbone interact. energy: -0.028 local terms energy: -16.748909 where: bonds (distance) C4'-P energy: -4.840 bonds (distance) P-C4' energy: -3.789 flat angles C4'-P-C4' energy: -4.673 flat angles P-C4'-P energy: -2.956 tors. eta vs tors. theta energy: -0.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 302 Temperature: 1.300000 Total energy: -24.733304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.733304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.733304 (E_RNA) where: Base-Base interactions energy: -7.081 where: short stacking energy: -7.081 Base-Backbone interact. energy: -0.055 local terms energy: -17.597541 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.374 flat angles P-C4'-P energy: -2.807 tors. eta vs tors. theta energy: 0.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 302 Temperature: 1.350000 Total energy: -27.475508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.475508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.475508 (E_RNA) where: Base-Base interactions energy: -7.332 where: short stacking energy: -7.332 Base-Backbone interact. energy: -0.007 local terms energy: -20.136278 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -4.875 flat angles C4'-P-C4' energy: -4.517 flat angles P-C4'-P energy: -2.935 tors. eta vs tors. theta energy: -3.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 303 Temperature: 0.900000 Total energy: -36.218789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.218789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.218789 (E_RNA) where: Base-Base interactions energy: -15.657 where: short stacking energy: -15.657 Base-Backbone interact. energy: -0.000 local terms energy: -20.561753 where: bonds (distance) C4'-P energy: -4.227 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -5.523 flat angles P-C4'-P energy: -1.008 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: 2, replica: 6 ===================================== Write number: 303 Temperature: 0.950000 Total energy: -32.312056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.312056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.312056 (E_RNA) where: Base-Base interactions energy: -11.089 where: short stacking energy: -11.089 Base-Backbone interact. energy: -0.000 local terms energy: -21.223467 where: bonds (distance) C4'-P energy: -5.018 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -5.816 flat angles P-C4'-P energy: -3.225 tors. eta vs tors. theta energy: -2.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 303 Temperature: 1.000000 Total energy: -29.309557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.309557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.309557 (E_RNA) where: Base-Base interactions energy: -11.828 where: short stacking energy: -11.828 Base-Backbone interact. energy: -0.039 local terms energy: -17.443316 where: bonds (distance) C4'-P energy: -3.826 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -0.682 flat angles P-C4'-P energy: -3.745 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: 4, replica: 2 ===================================== Write number: 303 Temperature: 1.050000 Total energy: -26.953895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.953895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.953895 (E_RNA) where: Base-Base interactions energy: -9.033 where: short stacking energy: -9.033 Base-Backbone interact. energy: -1.120 local terms energy: -16.801555 where: bonds (distance) C4'-P energy: -4.154 bonds (distance) P-C4' energy: -3.899 flat angles C4'-P-C4' energy: -4.807 flat angles P-C4'-P energy: -3.807 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: 5, replica: 10 ===================================== Write number: 303 Temperature: 1.100000 Total energy: -27.845445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.845445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.845445 (E_RNA) where: Base-Base interactions energy: -8.094 where: short stacking energy: -8.094 Base-Backbone interact. energy: -0.090 local terms energy: -19.661507 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.885 flat angles P-C4'-P energy: -4.018 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: 6, replica: 7 ===================================== Write number: 303 Temperature: 1.150000 Total energy: -33.054356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.054356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.054356 (E_RNA) where: Base-Base interactions energy: -12.864 where: short stacking energy: -12.864 Base-Backbone interact. energy: -0.000 local terms energy: -20.189858 where: bonds (distance) C4'-P energy: -4.663 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -4.937 flat angles P-C4'-P energy: -1.638 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: 7, replica: 3 ===================================== Write number: 303 Temperature: 1.200000 Total energy: -31.493830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.493830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.493830 (E_RNA) where: Base-Base interactions energy: -11.074 where: short stacking energy: -11.074 Base-Backbone interact. energy: -0.003 local terms energy: -20.416883 where: bonds (distance) C4'-P energy: -3.350 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -4.144 flat angles P-C4'-P energy: -3.085 tors. eta vs tors. theta energy: -3.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 303 Temperature: 1.250000 Total energy: -29.451988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.451988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.451988 (E_RNA) where: Base-Base interactions energy: -11.583 where: short stacking energy: -11.583 Base-Backbone interact. energy: -0.015 local terms energy: -17.853841 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -4.160 flat angles C4'-P-C4' energy: -3.629 flat angles P-C4'-P energy: -4.391 tors. eta vs tors. theta energy: -0.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 303 Temperature: 1.300000 Total energy: -25.335961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.335961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.335961 (E_RNA) where: Base-Base interactions energy: -5.661 where: short stacking energy: -5.661 Base-Backbone interact. energy: -0.000 local terms energy: -19.675175 where: bonds (distance) C4'-P energy: -2.932 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -4.372 flat angles P-C4'-P energy: -4.431 tors. eta vs tors. theta energy: -2.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 303 Temperature: 1.350000 Total energy: -24.929941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.929941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.929941 (E_RNA) where: Base-Base interactions energy: -3.559 where: short stacking energy: -3.559 Base-Backbone interact. energy: -0.000 local terms energy: -21.371040 where: bonds (distance) C4'-P energy: -4.679 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.225 flat angles P-C4'-P energy: -3.593 tors. eta vs tors. theta energy: -1.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 304 Temperature: 0.900000 Total energy: -34.789436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.789436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.789436 (E_RNA) where: Base-Base interactions energy: -12.976 where: short stacking energy: -12.976 Base-Backbone interact. energy: -0.001 local terms energy: -21.813164 where: bonds (distance) C4'-P energy: -4.165 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.608 flat angles P-C4'-P energy: -2.699 tors. eta vs tors. theta energy: -3.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 304 Temperature: 0.950000 Total energy: -37.848859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.848859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.848859 (E_RNA) where: Base-Base interactions energy: -16.221 where: short stacking energy: -16.221 Base-Backbone interact. energy: -0.018 local terms energy: -21.609709 where: bonds (distance) C4'-P energy: -3.830 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.980 flat angles P-C4'-P energy: -2.289 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: 3, replica: 2 ===================================== Write number: 304 Temperature: 1.000000 Total energy: -33.191008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.191008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.191008 (E_RNA) where: Base-Base interactions energy: -13.104 where: short stacking energy: -13.104 Base-Backbone interact. energy: -0.367 local terms energy: -19.720102 where: bonds (distance) C4'-P energy: -4.529 bonds (distance) P-C4' energy: -4.783 flat angles C4'-P-C4' energy: -4.952 flat angles P-C4'-P energy: -4.148 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: 4, replica: 8 ===================================== Write number: 304 Temperature: 1.050000 Total energy: -30.129099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.129099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.129099 (E_RNA) where: Base-Base interactions energy: -11.350 where: short stacking energy: -11.350 Base-Backbone interact. energy: -0.000 local terms energy: -18.778467 where: bonds (distance) C4'-P energy: -4.628 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -5.114 flat angles P-C4'-P energy: -1.421 tors. eta vs tors. theta energy: -2.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 304 Temperature: 1.100000 Total energy: -28.514859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.514859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.514859 (E_RNA) where: Base-Base interactions energy: -10.832 where: short stacking energy: -10.832 Base-Backbone interact. energy: -0.018 local terms energy: -17.664784 where: bonds (distance) C4'-P energy: -4.111 bonds (distance) P-C4' energy: -4.646 flat angles C4'-P-C4' energy: -4.772 flat angles P-C4'-P energy: -2.763 tors. eta vs tors. theta energy: -1.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 304 Temperature: 1.150000 Total energy: -27.052824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.052824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.052824 (E_RNA) where: Base-Base interactions energy: -10.409 where: short stacking energy: -10.409 Base-Backbone interact. energy: -0.005 local terms energy: -16.638384 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -4.227 flat angles C4'-P-C4' energy: -3.735 flat angles P-C4'-P energy: -1.016 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: 5 ===================================== Write number: 304 Temperature: 1.200000 Total energy: -27.805728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.805728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.805728 (E_RNA) where: Base-Base interactions energy: -9.126 where: short stacking energy: -9.126 Base-Backbone interact. energy: -0.000 local terms energy: -18.680012 where: bonds (distance) C4'-P energy: -3.242 bonds (distance) P-C4' energy: -5.724 flat angles C4'-P-C4' energy: -5.042 flat angles P-C4'-P energy: -1.564 tors. eta vs tors. theta energy: -3.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 304 Temperature: 1.250000 Total energy: -24.565410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.565410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.565410 (E_RNA) where: Base-Base interactions energy: -8.092 where: short stacking energy: -8.092 Base-Backbone interact. energy: -0.039 local terms energy: -16.434613 where: bonds (distance) C4'-P energy: -4.716 bonds (distance) P-C4' energy: -5.286 flat angles C4'-P-C4' energy: -3.104 flat angles P-C4'-P energy: -4.339 tors. eta vs tors. theta energy: 1.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 304 Temperature: 1.300000 Total energy: -27.309452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.309452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.309452 (E_RNA) where: Base-Base interactions energy: -9.771 where: short stacking energy: -9.771 Base-Backbone interact. energy: -0.069 local terms energy: -17.469392 where: bonds (distance) C4'-P energy: -4.787 bonds (distance) P-C4' energy: -4.026 flat angles C4'-P-C4' energy: -5.252 flat angles P-C4'-P energy: -3.197 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: 10, replica: 9 ===================================== Write number: 304 Temperature: 1.350000 Total energy: -29.249732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.249732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.249732 (E_RNA) where: Base-Base interactions energy: -9.614 where: short stacking energy: -9.614 Base-Backbone interact. energy: -0.000 local terms energy: -19.636164 where: bonds (distance) C4'-P energy: -4.803 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -3.260 flat angles P-C4'-P energy: -3.046 tors. eta vs tors. theta energy: -2.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 305 Temperature: 0.900000 Total energy: -35.064304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.064304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.064304 (E_RNA) where: Base-Base interactions energy: -14.128 where: short stacking energy: -14.128 Base-Backbone interact. energy: -0.000 local terms energy: -20.936572 where: bonds (distance) C4'-P energy: -4.778 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -3.897 flat angles P-C4'-P energy: -3.548 tors. eta vs tors. theta energy: -3.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 305 Temperature: 0.950000 Total energy: -36.332932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.332932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.332932 (E_RNA) where: Base-Base interactions energy: -14.646 where: short stacking energy: -14.646 Base-Backbone interact. energy: -0.001 local terms energy: -21.686106 where: bonds (distance) C4'-P energy: -4.369 bonds (distance) P-C4' energy: -4.860 flat angles C4'-P-C4' energy: -5.165 flat angles P-C4'-P energy: -3.438 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: 4 ===================================== Write number: 305 Temperature: 1.000000 Total energy: -30.733792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.733792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.733792 (E_RNA) where: Base-Base interactions energy: -9.972 where: short stacking energy: -9.972 Base-Backbone interact. energy: -0.230 local terms energy: -20.531991 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -3.741 flat angles P-C4'-P energy: -3.202 tors. eta vs tors. theta energy: -2.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 305 Temperature: 1.050000 Total energy: -29.579466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.579466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.579466 (E_RNA) where: Base-Base interactions energy: -11.324 where: short stacking energy: -11.324 Base-Backbone interact. energy: -0.000 local terms energy: -18.254937 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.001 flat angles C4'-P-C4' energy: -4.084 flat angles P-C4'-P energy: -0.872 tors. eta vs tors. theta energy: -3.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 305 Temperature: 1.100000 Total energy: -31.156192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.156192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.156192 (E_RNA) where: Base-Base interactions energy: -12.543 where: short stacking energy: -12.543 Base-Backbone interact. energy: -0.000 local terms energy: -18.613346 where: bonds (distance) C4'-P energy: -5.498 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -4.920 flat angles P-C4'-P energy: -0.810 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: 6, replica: 10 ===================================== Write number: 305 Temperature: 1.150000 Total energy: -25.668226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.668226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.668226 (E_RNA) where: Base-Base interactions energy: -8.073 where: short stacking energy: -8.073 Base-Backbone interact. energy: -0.002 local terms energy: -17.593939 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -2.716 flat angles P-C4'-P energy: -2.936 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: 7, replica: 5 ===================================== Write number: 305 Temperature: 1.200000 Total energy: -27.776661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.776661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.776661 (E_RNA) where: Base-Base interactions energy: -5.152 where: short stacking energy: -5.152 Base-Backbone interact. energy: -0.000 local terms energy: -22.624989 where: bonds (distance) C4'-P energy: -4.637 bonds (distance) P-C4' energy: -4.872 flat angles C4'-P-C4' energy: -3.036 flat angles P-C4'-P energy: -4.431 tors. eta vs tors. theta energy: -5.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 305 Temperature: 1.250000 Total energy: -28.747730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.747730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.747730 (E_RNA) where: Base-Base interactions energy: -10.688 where: short stacking energy: -10.688 Base-Backbone interact. energy: -0.024 local terms energy: -18.035006 where: bonds (distance) C4'-P energy: -4.513 bonds (distance) P-C4' energy: -4.314 flat angles C4'-P-C4' energy: -5.016 flat angles P-C4'-P energy: -1.919 tors. eta vs tors. theta energy: -2.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 305 Temperature: 1.300000 Total energy: -27.385645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.385645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.385645 (E_RNA) where: Base-Base interactions energy: -10.988 where: short stacking energy: -10.988 Base-Backbone interact. energy: -0.000 local terms energy: -16.397404 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -0.560 flat angles C4'-P-C4' energy: -4.291 flat angles P-C4'-P energy: -2.331 tors. eta vs tors. theta energy: -3.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 305 Temperature: 1.350000 Total energy: -24.407598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.407598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.407598 (E_RNA) where: Base-Base interactions energy: -5.664 where: short stacking energy: -6.864 Base-Backbone interact. energy: -0.003 local terms energy: -18.739937 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -3.923 flat angles C4'-P-C4' energy: -4.265 flat angles P-C4'-P energy: -2.993 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: 1, replica: 2 ===================================== Write number: 306 Temperature: 0.900000 Total energy: -37.595216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.595216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.595216 (E_RNA) where: Base-Base interactions energy: -16.270 where: short stacking energy: -16.270 Base-Backbone interact. energy: -0.000 local terms energy: -21.325301 where: bonds (distance) C4'-P energy: -4.803 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -4.956 flat angles P-C4'-P energy: -2.227 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: 2, replica: 6 ===================================== Write number: 306 Temperature: 0.950000 Total energy: -29.616633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.616633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.616633 (E_RNA) where: Base-Base interactions energy: -8.376 where: short stacking energy: -8.376 Base-Backbone interact. energy: -0.002 local terms energy: -21.238658 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -5.435 flat angles P-C4'-P energy: -3.687 tors. eta vs tors. theta energy: -1.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 306 Temperature: 1.000000 Total energy: -33.174764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.174764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.174764 (E_RNA) where: Base-Base interactions energy: -11.167 where: short stacking energy: -11.167 Base-Backbone interact. energy: -0.000 local terms energy: -22.007485 where: bonds (distance) C4'-P energy: -4.219 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -2.933 flat angles P-C4'-P energy: -3.512 tors. eta vs tors. theta energy: -5.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 306 Temperature: 1.050000 Total energy: -28.496434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.496434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.496434 (E_RNA) where: Base-Base interactions energy: -8.168 where: short stacking energy: -8.168 Base-Backbone interact. energy: -0.000 local terms energy: -20.327947 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -4.939 flat angles P-C4'-P energy: -3.578 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: 5, replica: 10 ===================================== Write number: 306 Temperature: 1.100000 Total energy: -29.680380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.680380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.680380 (E_RNA) where: Base-Base interactions energy: -11.764 where: short stacking energy: -11.764 Base-Backbone interact. energy: -0.006 local terms energy: -17.909704 where: bonds (distance) C4'-P energy: -3.714 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -4.713 flat angles P-C4'-P energy: -3.794 tors. eta vs tors. theta energy: -0.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 306 Temperature: 1.150000 Total energy: -30.037540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.037540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.037540 (E_RNA) where: Base-Base interactions energy: -12.393 where: short stacking energy: -12.393 Base-Backbone interact. energy: -0.006 local terms energy: -17.638683 where: bonds (distance) C4'-P energy: -4.261 bonds (distance) P-C4' energy: -5.072 flat angles C4'-P-C4' energy: -4.588 flat angles P-C4'-P energy: -3.063 tors. eta vs tors. theta energy: -0.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 306 Temperature: 1.200000 Total energy: -25.106838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.106838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.106838 (E_RNA) where: Base-Base interactions energy: -8.684 where: short stacking energy: -8.684 Base-Backbone interact. energy: -0.000 local terms energy: -16.422513 where: bonds (distance) C4'-P energy: -4.637 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -4.136 flat angles P-C4'-P energy: -3.210 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: 8, replica: 5 ===================================== Write number: 306 Temperature: 1.250000 Total energy: -26.520126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.520126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.520126 (E_RNA) where: Base-Base interactions energy: -9.590 where: short stacking energy: -9.590 Base-Backbone interact. energy: -0.002 local terms energy: -16.928168 where: bonds (distance) C4'-P energy: -2.977 bonds (distance) P-C4' energy: -5.258 flat angles C4'-P-C4' energy: -1.861 flat angles P-C4'-P energy: -2.555 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: 9, replica: 9 ===================================== Write number: 306 Temperature: 1.300000 Total energy: -30.997572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.997572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.997572 (E_RNA) where: Base-Base interactions energy: -13.557 where: short stacking energy: -13.557 Base-Backbone interact. energy: -0.031 local terms energy: -17.409804 where: bonds (distance) C4'-P energy: -1.602 bonds (distance) P-C4' energy: -5.040 flat angles C4'-P-C4' energy: -2.402 flat angles P-C4'-P energy: -4.457 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: 10, replica: 3 ===================================== Write number: 306 Temperature: 1.350000 Total energy: -26.933579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.933579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.933579 (E_RNA) where: Base-Base interactions energy: -8.833 where: short stacking energy: -8.833 Base-Backbone interact. energy: -0.000 local terms energy: -18.100505 where: bonds (distance) C4'-P energy: -3.181 bonds (distance) P-C4' energy: -4.019 flat angles C4'-P-C4' energy: -4.852 flat angles P-C4'-P energy: -2.468 tors. eta vs tors. theta energy: -3.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 307 Temperature: 0.900000 Total energy: -39.418804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.418804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.418804 (E_RNA) where: Base-Base interactions energy: -15.126 where: short stacking energy: -15.126 Base-Backbone interact. energy: -0.028 local terms energy: -24.264712 where: bonds (distance) C4'-P energy: -5.018 bonds (distance) P-C4' energy: -4.706 flat angles C4'-P-C4' energy: -5.782 flat angles P-C4'-P energy: -4.130 tors. eta vs tors. theta energy: -4.629 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: 7 ===================================== Write number: 307 Temperature: 0.950000 Total energy: -34.335474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.335474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.335474 (E_RNA) where: Base-Base interactions energy: -14.323 where: short stacking energy: -14.323 Base-Backbone interact. energy: -0.000 local terms energy: -20.012234 where: bonds (distance) C4'-P energy: -3.387 bonds (distance) P-C4' energy: -4.780 flat angles C4'-P-C4' energy: -4.964 flat angles P-C4'-P energy: -2.799 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: 6 ===================================== Write number: 307 Temperature: 1.000000 Total energy: -31.599953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.599953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.599953 (E_RNA) where: Base-Base interactions energy: -12.017 where: short stacking energy: -12.017 Base-Backbone interact. energy: -0.000 local terms energy: -19.583380 where: bonds (distance) C4'-P energy: -4.555 bonds (distance) P-C4' energy: -4.740 flat angles C4'-P-C4' energy: -5.079 flat angles P-C4'-P energy: -2.600 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: 4, replica: 4 ===================================== Write number: 307 Temperature: 1.050000 Total energy: -37.424995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.424995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.424995 (E_RNA) where: Base-Base interactions energy: -15.362 where: short stacking energy: -15.362 Base-Backbone interact. energy: -0.000 local terms energy: -22.063125 where: bonds (distance) C4'-P energy: -4.609 bonds (distance) P-C4' energy: -3.768 flat angles C4'-P-C4' energy: -5.573 flat angles P-C4'-P energy: -2.920 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: 5, replica: 10 ===================================== Write number: 307 Temperature: 1.100000 Total energy: -29.095892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.095892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.095892 (E_RNA) where: Base-Base interactions energy: -10.719 where: short stacking energy: -10.719 Base-Backbone interact. energy: -0.000 local terms energy: -18.376715 where: bonds (distance) C4'-P energy: -3.359 bonds (distance) P-C4' energy: -5.566 flat angles C4'-P-C4' energy: -4.485 flat angles P-C4'-P energy: -3.141 tors. eta vs tors. theta energy: -1.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 307 Temperature: 1.150000 Total energy: -30.168709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.168709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.168709 (E_RNA) where: Base-Base interactions energy: -8.598 where: short stacking energy: -8.598 Base-Backbone interact. energy: -0.000 local terms energy: -21.570813 where: bonds (distance) C4'-P energy: -4.377 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -4.292 flat angles P-C4'-P energy: -3.662 tors. eta vs tors. theta energy: -4.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 307 Temperature: 1.200000 Total energy: -29.057760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.057760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.057760 (E_RNA) where: Base-Base interactions energy: -8.380 where: short stacking energy: -8.380 Base-Backbone interact. energy: -0.121 local terms energy: -20.556290 where: bonds (distance) C4'-P energy: -3.445 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -5.554 flat angles P-C4'-P energy: -3.959 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: 8, replica: 5 ===================================== Write number: 307 Temperature: 1.250000 Total energy: -29.276976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.276976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.276976 (E_RNA) where: Base-Base interactions energy: -11.546 where: short stacking energy: -11.546 Base-Backbone interact. energy: -0.012 local terms energy: -17.718540 where: bonds (distance) C4'-P energy: -4.555 bonds (distance) P-C4' energy: -4.684 flat angles C4'-P-C4' energy: -4.543 flat angles P-C4'-P energy: -3.079 tors. eta vs tors. theta energy: -0.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 307 Temperature: 1.300000 Total energy: -28.843619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.843619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.843619 (E_RNA) where: Base-Base interactions energy: -10.491 where: short stacking energy: -10.491 Base-Backbone interact. energy: -0.057 local terms energy: -18.296008 where: bonds (distance) C4'-P energy: -3.482 bonds (distance) P-C4' energy: -5.043 flat angles C4'-P-C4' energy: -4.593 flat angles P-C4'-P energy: -3.727 tors. eta vs tors. theta energy: -1.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 307 Temperature: 1.350000 Total energy: -24.152409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.152409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.152409 (E_RNA) where: Base-Base interactions energy: -4.843 where: short stacking energy: -4.843 Base-Backbone interact. energy: -0.001 local terms energy: -19.308920 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.448 flat angles P-C4'-P energy: -3.744 tors. eta vs tors. theta energy: 0.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 308 Temperature: 0.900000 Total energy: -38.192332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.192332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.192332 (E_RNA) where: Base-Base interactions energy: -14.555 where: short stacking energy: -14.555 Base-Backbone interact. energy: -0.001 local terms energy: -23.636563 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -4.248 flat angles P-C4'-P energy: -4.189 tors. eta vs tors. theta energy: -4.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 308 Temperature: 0.950000 Total energy: -28.369483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.369483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.369483 (E_RNA) where: Base-Base interactions energy: -12.631 where: short stacking energy: -12.631 Base-Backbone interact. energy: -0.058 local terms energy: -15.680308 where: bonds (distance) C4'-P energy: -3.127 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.484 flat angles P-C4'-P energy: -2.402 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: 4 ===================================== Write number: 308 Temperature: 1.000000 Total energy: -35.478915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.478915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.478915 (E_RNA) where: Base-Base interactions energy: -11.617 where: short stacking energy: -11.617 Base-Backbone interact. energy: -0.000 local terms energy: -23.861729 where: bonds (distance) C4'-P energy: -3.801 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -4.588 flat angles P-C4'-P energy: -3.606 tors. eta vs tors. theta energy: -6.092 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: 6 ===================================== Write number: 308 Temperature: 1.050000 Total energy: -29.574254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.574254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.574254 (E_RNA) where: Base-Base interactions energy: -9.502 where: short stacking energy: -9.502 Base-Backbone interact. energy: -0.100 local terms energy: -19.971850 where: bonds (distance) C4'-P energy: -4.609 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.477 flat angles P-C4'-P energy: -3.768 tors. eta vs tors. theta energy: -0.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 308 Temperature: 1.100000 Total energy: -30.646506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.646506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.646506 (E_RNA) where: Base-Base interactions energy: -10.189 where: short stacking energy: -10.189 Base-Backbone interact. energy: -0.006 local terms energy: -20.451309 where: bonds (distance) C4'-P energy: -4.008 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -5.310 flat angles P-C4'-P energy: -1.929 tors. eta vs tors. theta energy: -3.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 308 Temperature: 1.150000 Total energy: -25.793470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.793470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.793470 (E_RNA) where: Base-Base interactions energy: -8.570 where: short stacking energy: -8.684 Base-Backbone interact. energy: -0.075 local terms energy: -17.148368 where: bonds (distance) C4'-P energy: -4.645 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -2.388 flat angles P-C4'-P energy: -4.175 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: 7, replica: 5 ===================================== Write number: 308 Temperature: 1.200000 Total energy: -29.561496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.561496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.561496 (E_RNA) where: Base-Base interactions energy: -7.495 where: short stacking energy: -7.495 Base-Backbone interact. energy: -0.028 local terms energy: -22.038416 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.574 flat angles P-C4'-P energy: -3.508 tors. eta vs tors. theta energy: -2.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 308 Temperature: 1.250000 Total energy: -26.426195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.426195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.426195 (E_RNA) where: Base-Base interactions energy: -8.416 where: short stacking energy: -8.416 Base-Backbone interact. energy: -0.004 local terms energy: -18.006401 where: bonds (distance) C4'-P energy: -5.010 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -3.554 flat angles P-C4'-P energy: -2.685 tors. eta vs tors. theta energy: -0.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 308 Temperature: 1.300000 Total energy: -26.580362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.580362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.580362 (E_RNA) where: Base-Base interactions energy: -8.385 where: short stacking energy: -8.385 Base-Backbone interact. energy: -0.000 local terms energy: -18.195774 where: bonds (distance) C4'-P energy: -4.485 bonds (distance) P-C4' energy: -4.814 flat angles C4'-P-C4' energy: -3.361 flat angles P-C4'-P energy: -3.357 tors. eta vs tors. theta energy: -2.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 308 Temperature: 1.350000 Total energy: -30.139201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.139201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.139201 (E_RNA) where: Base-Base interactions energy: -8.571 where: short stacking energy: -8.571 Base-Backbone interact. energy: -0.000 local terms energy: -21.567704 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.675 flat angles P-C4'-P energy: -3.517 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: 1, replica: 7 ===================================== Write number: 309 Temperature: 0.900000 Total energy: -33.819635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.819635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.819635 (E_RNA) where: Base-Base interactions energy: -12.329 where: short stacking energy: -12.329 Base-Backbone interact. energy: -0.000 local terms energy: -21.491113 where: bonds (distance) C4'-P energy: -3.871 bonds (distance) P-C4' energy: -3.973 flat angles C4'-P-C4' energy: -5.904 flat angles P-C4'-P energy: -3.933 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: 4 ===================================== Write number: 309 Temperature: 0.950000 Total energy: -32.763579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.763579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.763579 (E_RNA) where: Base-Base interactions energy: -11.136 where: short stacking energy: -11.136 Base-Backbone interact. energy: -0.000 local terms energy: -21.627506 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -5.214 flat angles P-C4'-P energy: -3.290 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: 3, replica: 2 ===================================== Write number: 309 Temperature: 1.000000 Total energy: -30.136798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.136798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.136798 (E_RNA) where: Base-Base interactions energy: -11.630 where: short stacking energy: -11.630 Base-Backbone interact. energy: -0.001 local terms energy: -18.505508 where: bonds (distance) C4'-P energy: -3.668 bonds (distance) P-C4' energy: -5.065 flat angles C4'-P-C4' energy: -5.132 flat angles P-C4'-P energy: -3.264 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: 4, replica: 1 ===================================== Write number: 309 Temperature: 1.050000 Total energy: -35.034377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.034377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.034377 (E_RNA) where: Base-Base interactions energy: -15.055 where: short stacking energy: -15.055 Base-Backbone interact. energy: -0.000 local terms energy: -19.979251 where: bonds (distance) C4'-P energy: -4.628 bonds (distance) P-C4' energy: -5.333 flat angles C4'-P-C4' energy: -3.428 flat angles P-C4'-P energy: -1.607 tors. eta vs tors. theta energy: -4.983 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: 6 ===================================== Write number: 309 Temperature: 1.100000 Total energy: -30.622695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.622695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.622695 (E_RNA) where: Base-Base interactions energy: -10.279 where: short stacking energy: -10.279 Base-Backbone interact. energy: -0.001 local terms energy: -20.342656 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.185 flat angles P-C4'-P energy: -2.599 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: 5 ===================================== Write number: 309 Temperature: 1.150000 Total energy: -28.543385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.543385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.543385 (E_RNA) where: Base-Base interactions energy: -10.931 where: short stacking energy: -10.931 Base-Backbone interact. energy: -0.000 local terms energy: -17.611877 where: bonds (distance) C4'-P energy: -2.016 bonds (distance) P-C4' energy: -5.065 flat angles C4'-P-C4' energy: -5.252 flat angles P-C4'-P energy: -2.434 tors. eta vs tors. theta energy: -2.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 309 Temperature: 1.200000 Total energy: -27.264130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.264130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.264130 (E_RNA) where: Base-Base interactions energy: -6.336 where: short stacking energy: -6.336 Base-Backbone interact. energy: -0.000 local terms energy: -20.927725 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.994 flat angles P-C4'-P energy: -3.474 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: 8, replica: 3 ===================================== Write number: 309 Temperature: 1.250000 Total energy: -26.390760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.390760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.390760 (E_RNA) where: Base-Base interactions energy: -5.648 where: short stacking energy: -5.648 Base-Backbone interact. energy: -0.000 local terms energy: -20.742661 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -4.811 flat angles C4'-P-C4' energy: -4.941 flat angles P-C4'-P energy: -2.972 tors. eta vs tors. theta energy: -2.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 309 Temperature: 1.300000 Total energy: -26.978098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.978098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.978098 (E_RNA) where: Base-Base interactions energy: -8.223 where: short stacking energy: -8.223 Base-Backbone interact. energy: -0.094 local terms energy: -18.661241 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -4.935 flat angles C4'-P-C4' energy: -2.351 flat angles P-C4'-P energy: -4.229 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: 10, replica: 9 ===================================== Write number: 309 Temperature: 1.350000 Total energy: -26.648666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.648666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.648666 (E_RNA) where: Base-Base interactions energy: -10.070 where: short stacking energy: -10.070 Base-Backbone interact. energy: -0.000 local terms energy: -16.578994 where: bonds (distance) C4'-P energy: -3.826 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.669 flat angles P-C4'-P energy: -0.905 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: 1, replica: 4 ===================================== Write number: 310 Temperature: 0.900000 Total energy: -36.604644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.604644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.604644 (E_RNA) where: Base-Base interactions energy: -13.450 where: short stacking energy: -13.450 Base-Backbone interact. energy: -0.096 local terms energy: -23.058562 where: bonds (distance) C4'-P energy: -5.010 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -5.226 flat angles P-C4'-P energy: -3.686 tors. eta vs tors. theta energy: -3.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 310 Temperature: 0.950000 Total energy: -30.204795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.204795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.204795 (E_RNA) where: Base-Base interactions energy: -10.555 where: short stacking energy: -10.555 Base-Backbone interact. energy: -0.000 local terms energy: -19.650076 where: bonds (distance) C4'-P energy: -5.196 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -2.928 flat angles P-C4'-P energy: -3.020 tors. eta vs tors. theta energy: -3.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 310 Temperature: 1.000000 Total energy: -29.370700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.370700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.370700 (E_RNA) where: Base-Base interactions energy: -10.163 where: short stacking energy: -10.163 Base-Backbone interact. energy: -0.000 local terms energy: -19.207340 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.767 flat angles P-C4'-P energy: -1.184 tors. eta vs tors. theta energy: -2.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 310 Temperature: 1.050000 Total energy: -28.096086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.096086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.096086 (E_RNA) where: Base-Base interactions energy: -7.039 where: short stacking energy: -7.039 Base-Backbone interact. energy: 1.108 local terms energy: -22.165430 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.220 flat angles P-C4'-P energy: -4.051 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: 6 ===================================== Write number: 310 Temperature: 1.100000 Total energy: -32.226302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.226302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.226302 (E_RNA) where: Base-Base interactions energy: -8.208 where: short stacking energy: -8.208 Base-Backbone interact. energy: -0.002 local terms energy: -24.017119 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.157 flat angles P-C4'-P energy: -4.591 tors. eta vs tors. theta energy: -2.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 310 Temperature: 1.150000 Total energy: -26.794487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.794487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.794487 (E_RNA) where: Base-Base interactions energy: -6.654 where: short stacking energy: -6.654 Base-Backbone interact. energy: -0.273 local terms energy: -19.866913 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -3.936 flat angles P-C4'-P energy: -3.236 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: 7, replica: 3 ===================================== Write number: 310 Temperature: 1.200000 Total energy: -32.722393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.722393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.722393 (E_RNA) where: Base-Base interactions energy: -14.092 where: short stacking energy: -14.092 Base-Backbone interact. energy: -0.001 local terms energy: -18.628871 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -4.230 flat angles C4'-P-C4' energy: -2.005 flat angles P-C4'-P energy: -2.462 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: 8, replica: 10 ===================================== Write number: 310 Temperature: 1.250000 Total energy: -26.736609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.736609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.736609 (E_RNA) where: Base-Base interactions energy: -6.638 where: short stacking energy: -6.638 Base-Backbone interact. energy: -0.000 local terms energy: -20.098329 where: bonds (distance) C4'-P energy: -4.451 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -4.496 flat angles P-C4'-P energy: -4.025 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: 9, replica: 9 ===================================== Write number: 310 Temperature: 1.300000 Total energy: -26.391133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.391133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.391133 (E_RNA) where: Base-Base interactions energy: -9.431 where: short stacking energy: -10.031 Base-Backbone interact. energy: 0.252 local terms energy: -17.212153 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -3.286 flat angles P-C4'-P energy: -0.942 tors. eta vs tors. theta energy: -1.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 310 Temperature: 1.350000 Total energy: -29.125801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.125801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.125801 (E_RNA) where: Base-Base interactions energy: -10.003 where: short stacking energy: -10.003 Base-Backbone interact. energy: -0.001 local terms energy: -19.121553 where: bonds (distance) C4'-P energy: -4.547 bonds (distance) P-C4' energy: -4.574 flat angles C4'-P-C4' energy: -4.404 flat angles P-C4'-P energy: -2.751 tors. eta vs tors. theta energy: -2.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 311 Temperature: 0.900000 Total energy: -33.439913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.439913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.439913 (E_RNA) where: Base-Base interactions energy: -13.193 where: short stacking energy: -13.193 Base-Backbone interact. energy: -0.000 local terms energy: -20.247050 where: bonds (distance) C4'-P energy: -3.879 bonds (distance) P-C4' energy: -4.832 flat angles C4'-P-C4' energy: -5.623 flat angles P-C4'-P energy: -3.809 tors. eta vs tors. theta energy: -2.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 311 Temperature: 0.950000 Total energy: -33.035958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.035958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.035958 (E_RNA) where: Base-Base interactions energy: -11.847 where: short stacking energy: -11.847 Base-Backbone interact. energy: -0.000 local terms energy: -21.189439 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -4.946 flat angles P-C4'-P energy: -3.875 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: 3, replica: 7 ===================================== Write number: 311 Temperature: 1.000000 Total energy: -37.292755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.292755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.292755 (E_RNA) where: Base-Base interactions energy: -14.128 where: short stacking energy: -14.128 Base-Backbone interact. energy: -0.000 local terms energy: -23.164651 where: bonds (distance) C4'-P energy: -5.167 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -5.609 flat angles P-C4'-P energy: -2.452 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: 4, replica: 6 ===================================== Write number: 311 Temperature: 1.050000 Total energy: -31.234660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.234660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.234660 (E_RNA) where: Base-Base interactions energy: -12.670 where: short stacking energy: -12.670 Base-Backbone interact. energy: -0.015 local terms energy: -18.549106 where: bonds (distance) C4'-P energy: -4.007 bonds (distance) P-C4' energy: -4.691 flat angles C4'-P-C4' energy: -5.187 flat angles P-C4'-P energy: -1.927 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: 2 ===================================== Write number: 311 Temperature: 1.100000 Total energy: -28.837092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.837092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.837092 (E_RNA) where: Base-Base interactions energy: -8.277 where: short stacking energy: -8.277 Base-Backbone interact. energy: -0.055 local terms energy: -20.505285 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.911 flat angles P-C4'-P energy: -2.898 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: 6, replica: 3 ===================================== Write number: 311 Temperature: 1.150000 Total energy: -31.710290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.710290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.710290 (E_RNA) where: Base-Base interactions energy: -9.850 where: short stacking energy: -9.850 Base-Backbone interact. energy: -0.000 local terms energy: -21.860582 where: bonds (distance) C4'-P energy: -4.529 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -4.174 flat angles P-C4'-P energy: -1.853 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: 7, replica: 5 ===================================== Write number: 311 Temperature: 1.200000 Total energy: -24.137382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.137382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.137382 (E_RNA) where: Base-Base interactions energy: -3.465 where: short stacking energy: -3.465 Base-Backbone interact. energy: -0.003 local terms energy: -20.669691 where: bonds (distance) C4'-P energy: -4.343 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.716 flat angles P-C4'-P energy: -4.224 tors. eta vs tors. theta energy: -1.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 311 Temperature: 1.250000 Total energy: -27.161254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.161254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.161254 (E_RNA) where: Base-Base interactions energy: -10.761 where: short stacking energy: -10.761 Base-Backbone interact. energy: -0.060 local terms energy: -16.339558 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -1.786 flat angles P-C4'-P energy: -3.204 tors. eta vs tors. theta energy: -0.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 311 Temperature: 1.300000 Total energy: -23.610509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.610509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.610509 (E_RNA) where: Base-Base interactions energy: -8.600 where: short stacking energy: -8.600 Base-Backbone interact. energy: -0.019 local terms energy: -14.991458 where: bonds (distance) C4'-P energy: -2.497 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -4.889 flat angles P-C4'-P energy: -2.099 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: 8 ===================================== Write number: 311 Temperature: 1.350000 Total energy: -32.012435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.012435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.012435 (E_RNA) where: Base-Base interactions energy: -13.738 where: short stacking energy: -13.738 Base-Backbone interact. energy: -0.000 local terms energy: -18.274071 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -4.445 flat angles C4'-P-C4' energy: -2.746 flat angles P-C4'-P energy: -1.840 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: 1, replica: 1 ===================================== Write number: 312 Temperature: 0.900000 Total energy: -38.344160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.344160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.344160 (E_RNA) where: Base-Base interactions energy: -15.663 where: short stacking energy: -15.663 Base-Backbone interact. energy: -0.000 local terms energy: -22.681345 where: bonds (distance) C4'-P energy: -4.273 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -4.795 flat angles P-C4'-P energy: -3.792 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: 2, replica: 4 ===================================== Write number: 312 Temperature: 0.950000 Total energy: -40.465804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.465804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.465804 (E_RNA) where: Base-Base interactions energy: -16.545 where: short stacking energy: -16.545 Base-Backbone interact. energy: -0.002 local terms energy: -23.918293 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.759 flat angles C4'-P-C4' energy: -5.186 flat angles P-C4'-P energy: -3.643 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: 3, replica: 7 ===================================== Write number: 312 Temperature: 1.000000 Total energy: -37.998494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.998494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.998494 (E_RNA) where: Base-Base interactions energy: -16.329 where: short stacking energy: -16.329 Base-Backbone interact. energy: -0.000 local terms energy: -21.669579 where: bonds (distance) C4'-P energy: -3.038 bonds (distance) P-C4' energy: -4.706 flat angles C4'-P-C4' energy: -5.435 flat angles P-C4'-P energy: -3.906 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: 4, replica: 6 ===================================== Write number: 312 Temperature: 1.050000 Total energy: -29.323815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.323815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.323815 (E_RNA) where: Base-Base interactions energy: -11.124 where: short stacking energy: -11.124 Base-Backbone interact. energy: -0.098 local terms energy: -18.101389 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -4.688 flat angles C4'-P-C4' energy: -5.452 flat angles P-C4'-P energy: -2.313 tors. eta vs tors. theta energy: -0.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 312 Temperature: 1.100000 Total energy: -29.648246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.648246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.648246 (E_RNA) where: Base-Base interactions energy: -11.028 where: short stacking energy: -11.028 Base-Backbone interact. energy: -0.000 local terms energy: -18.619916 where: bonds (distance) C4'-P energy: -3.321 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -4.324 flat angles P-C4'-P energy: -4.336 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: 2 ===================================== Write number: 312 Temperature: 1.150000 Total energy: -28.000939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.000939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.000939 (E_RNA) where: Base-Base interactions energy: -6.260 where: short stacking energy: -6.260 Base-Backbone interact. energy: -0.000 local terms energy: -21.740438 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -5.566 flat angles C4'-P-C4' energy: -5.363 flat angles P-C4'-P energy: -2.519 tors. eta vs tors. theta energy: -3.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 312 Temperature: 1.200000 Total energy: -28.377829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.377829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.377829 (E_RNA) where: Base-Base interactions energy: -12.123 where: short stacking energy: -12.123 Base-Backbone interact. energy: -0.001 local terms energy: -16.253981 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.540 flat angles C4'-P-C4' energy: -2.964 flat angles P-C4'-P energy: -2.691 tors. eta vs tors. theta energy: -0.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 312 Temperature: 1.250000 Total energy: -26.592558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.592558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.592558 (E_RNA) where: Base-Base interactions energy: -9.080 where: short stacking energy: -9.080 Base-Backbone interact. energy: -0.000 local terms energy: -17.512609 where: bonds (distance) C4'-P energy: -4.397 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -3.245 flat angles P-C4'-P energy: -2.623 tors. eta vs tors. theta energy: -1.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 312 Temperature: 1.300000 Total energy: -23.397422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.397422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.397422 (E_RNA) where: Base-Base interactions energy: -7.921 where: short stacking energy: -7.921 Base-Backbone interact. energy: -0.012 local terms energy: -15.464565 where: bonds (distance) C4'-P energy: -4.493 bonds (distance) P-C4' energy: -4.227 flat angles C4'-P-C4' energy: -3.682 flat angles P-C4'-P energy: -0.333 tors. eta vs tors. theta energy: -2.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 312 Temperature: 1.350000 Total energy: -28.363298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.363298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.363298 (E_RNA) where: Base-Base interactions energy: -11.369 where: short stacking energy: -11.369 Base-Backbone interact. energy: -0.034 local terms energy: -16.960062 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -5.079 flat angles P-C4'-P energy: -0.225 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: 1, replica: 1 ===================================== Write number: 313 Temperature: 0.900000 Total energy: -32.666456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.666456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.666456 (E_RNA) where: Base-Base interactions energy: -11.066 where: short stacking energy: -11.066 Base-Backbone interact. energy: -0.000 local terms energy: -21.600717 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -4.251 flat angles P-C4'-P energy: -3.324 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: 7 ===================================== Write number: 313 Temperature: 0.950000 Total energy: -32.554501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.554501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.554501 (E_RNA) where: Base-Base interactions energy: -11.704 where: short stacking energy: -11.704 Base-Backbone interact. energy: -0.093 local terms energy: -20.757380 where: bonds (distance) C4'-P energy: -3.367 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -4.911 flat angles P-C4'-P energy: -4.626 tors. eta vs tors. theta energy: -2.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 313 Temperature: 1.000000 Total energy: -35.774403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.774403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.774403 (E_RNA) where: Base-Base interactions energy: -15.142 where: short stacking energy: -15.142 Base-Backbone interact. energy: -0.006 local terms energy: -20.626523 where: bonds (distance) C4'-P energy: -4.787 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -4.692 flat angles P-C4'-P energy: -1.924 tors. eta vs tors. theta energy: -3.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 313 Temperature: 1.050000 Total energy: -30.339684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.339684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.339684 (E_RNA) where: Base-Base interactions energy: -10.741 where: short stacking energy: -10.741 Base-Backbone interact. energy: -0.007 local terms energy: -19.591724 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -5.540 flat angles C4'-P-C4' energy: -4.705 flat angles P-C4'-P energy: -3.691 tors. eta vs tors. theta energy: -0.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 313 Temperature: 1.100000 Total energy: -34.734158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.734158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.734158 (E_RNA) where: Base-Base interactions energy: -12.912 where: short stacking energy: -12.912 Base-Backbone interact. energy: -0.096 local terms energy: -21.726578 where: bonds (distance) C4'-P energy: -4.744 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.244 flat angles P-C4'-P energy: -3.757 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: 9 ===================================== Write number: 313 Temperature: 1.150000 Total energy: -27.598063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.598063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.598063 (E_RNA) where: Base-Base interactions energy: -7.582 where: short stacking energy: -7.582 Base-Backbone interact. energy: -0.002 local terms energy: -20.014267 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.624 flat angles P-C4'-P energy: -3.138 tors. eta vs tors. theta energy: -1.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 313 Temperature: 1.200000 Total energy: -26.644114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.644114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.644114 (E_RNA) where: Base-Base interactions energy: -9.239 where: short stacking energy: -9.239 Base-Backbone interact. energy: -0.000 local terms energy: -17.404853 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -3.553 flat angles C4'-P-C4' energy: -3.836 flat angles P-C4'-P energy: -3.090 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: 8, replica: 8 ===================================== Write number: 313 Temperature: 1.250000 Total energy: -27.104894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.104894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.104894 (E_RNA) where: Base-Base interactions energy: -10.452 where: short stacking energy: -10.452 Base-Backbone interact. energy: -0.000 local terms energy: -16.653025 where: bonds (distance) C4'-P energy: -2.318 bonds (distance) P-C4' energy: -4.709 flat angles C4'-P-C4' energy: -4.954 flat angles P-C4'-P energy: -3.018 tors. eta vs tors. theta energy: -1.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 313 Temperature: 1.300000 Total energy: -25.532705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.532705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.532705 (E_RNA) where: Base-Base interactions energy: -10.831 where: short stacking energy: -10.831 Base-Backbone interact. energy: -0.084 local terms energy: -14.617427 where: bonds (distance) C4'-P energy: -4.169 bonds (distance) P-C4' energy: -4.713 flat angles C4'-P-C4' energy: -0.494 flat angles P-C4'-P energy: -2.488 tors. eta vs tors. theta energy: -2.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 313 Temperature: 1.350000 Total energy: -27.078913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.078913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.078913 (E_RNA) where: Base-Base interactions energy: -11.236 where: short stacking energy: -11.236 Base-Backbone interact. energy: -0.000 local terms energy: -15.842447 where: bonds (distance) C4'-P energy: -4.191 bonds (distance) P-C4' energy: -4.835 flat angles C4'-P-C4' energy: -4.390 flat angles P-C4'-P energy: -2.158 tors. eta vs tors. theta energy: -0.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 314 Temperature: 0.900000 Total energy: -37.949985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.949985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.949985 (E_RNA) where: Base-Base interactions energy: -16.068 where: short stacking energy: -16.068 Base-Backbone interact. energy: -0.007 local terms energy: -21.875313 where: bonds (distance) C4'-P energy: -4.919 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -5.413 flat angles P-C4'-P energy: -1.965 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: 2, replica: 1 ===================================== Write number: 314 Temperature: 0.950000 Total energy: -38.754985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.754985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.754985 (E_RNA) where: Base-Base interactions energy: -15.528 where: short stacking energy: -15.528 Base-Backbone interact. energy: -0.000 local terms energy: -23.226828 where: bonds (distance) C4'-P energy: -4.989 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -5.101 flat angles P-C4'-P energy: -3.658 tors. eta vs tors. theta energy: -4.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 314 Temperature: 1.000000 Total energy: -34.099984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.099984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.099984 (E_RNA) where: Base-Base interactions energy: -11.930 where: short stacking energy: -11.930 Base-Backbone interact. energy: -0.008 local terms energy: -22.162313 where: bonds (distance) C4'-P energy: -4.663 bonds (distance) P-C4' energy: -4.702 flat angles C4'-P-C4' energy: -4.995 flat angles P-C4'-P energy: -4.724 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: 4 ===================================== Write number: 314 Temperature: 1.050000 Total energy: -32.895181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.895181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.895181 (E_RNA) where: Base-Base interactions energy: -10.314 where: short stacking energy: -10.314 Base-Backbone interact. energy: -0.000 local terms energy: -22.580703 where: bonds (distance) C4'-P energy: -4.049 bonds (distance) P-C4' energy: -5.569 flat angles C4'-P-C4' energy: -4.902 flat angles P-C4'-P energy: -4.372 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: 5, replica: 9 ===================================== Write number: 314 Temperature: 1.100000 Total energy: -28.286664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.286664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.286664 (E_RNA) where: Base-Base interactions energy: -10.870 where: short stacking energy: -10.870 Base-Backbone interact. energy: -0.001 local terms energy: -17.416139 where: bonds (distance) C4'-P energy: -1.495 bonds (distance) P-C4' energy: -5.498 flat angles C4'-P-C4' energy: -4.428 flat angles P-C4'-P energy: -3.654 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: 6 ===================================== Write number: 314 Temperature: 1.150000 Total energy: -28.269899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.269899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.269899 (E_RNA) where: Base-Base interactions energy: -8.319 where: short stacking energy: -8.319 Base-Backbone interact. energy: -0.006 local terms energy: -19.945268 where: bonds (distance) C4'-P energy: -4.563 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -5.540 flat angles P-C4'-P energy: -2.928 tors. eta vs tors. theta energy: -1.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 314 Temperature: 1.200000 Total energy: -29.075964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.075964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.075964 (E_RNA) where: Base-Base interactions energy: -7.372 where: short stacking energy: -7.372 Base-Backbone interact. energy: -0.000 local terms energy: -21.703860 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -5.560 flat angles P-C4'-P energy: -3.135 tors. eta vs tors. theta energy: -2.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 314 Temperature: 1.250000 Total energy: -26.664541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.664541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.664541 (E_RNA) where: Base-Base interactions energy: -7.273 where: short stacking energy: -7.273 Base-Backbone interact. energy: -0.010 local terms energy: -19.382080 where: bonds (distance) C4'-P energy: -3.382 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -3.987 flat angles P-C4'-P energy: -4.145 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: 10 ===================================== Write number: 314 Temperature: 1.300000 Total energy: -27.383661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.383661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.383661 (E_RNA) where: Base-Base interactions energy: -9.067 where: short stacking energy: -9.067 Base-Backbone interact. energy: -0.000 local terms energy: -18.316344 where: bonds (distance) C4'-P energy: -3.702 bonds (distance) P-C4' energy: -4.480 flat angles C4'-P-C4' energy: -5.598 flat angles P-C4'-P energy: -2.101 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: 10, replica: 5 ===================================== Write number: 314 Temperature: 1.350000 Total energy: -26.671380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.671380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.671380 (E_RNA) where: Base-Base interactions energy: -10.936 where: short stacking energy: -10.936 Base-Backbone interact. energy: -0.013 local terms energy: -15.722515 where: bonds (distance) C4'-P energy: -3.891 bonds (distance) P-C4' energy: -4.127 flat angles C4'-P-C4' energy: -3.806 flat angles P-C4'-P energy: -3.392 tors. eta vs tors. theta energy: -0.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 315 Temperature: 0.900000 Total energy: -33.991863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.991863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.991863 (E_RNA) where: Base-Base interactions energy: -13.696 where: short stacking energy: -13.696 Base-Backbone interact. energy: -0.000 local terms energy: -20.295367 where: bonds (distance) C4'-P energy: -3.792 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -4.909 flat angles P-C4'-P energy: -3.119 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: 2, replica: 3 ===================================== Write number: 315 Temperature: 0.950000 Total energy: -34.355922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.355922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.355922 (E_RNA) where: Base-Base interactions energy: -11.856 where: short stacking energy: -12.256 Base-Backbone interact. energy: -0.009 local terms energy: -22.491533 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -5.759 flat angles C4'-P-C4' energy: -3.743 flat angles P-C4'-P energy: -3.771 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: 1 ===================================== Write number: 315 Temperature: 1.000000 Total energy: -30.093298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.093298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.093298 (E_RNA) where: Base-Base interactions energy: -8.534 where: short stacking energy: -8.534 Base-Backbone interact. energy: -0.008 local terms energy: -21.550994 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.298 flat angles C4'-P-C4' energy: -5.010 flat angles P-C4'-P energy: -4.085 tors. eta vs tors. theta energy: -2.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 315 Temperature: 1.050000 Total energy: -30.447974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.447974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.447974 (E_RNA) where: Base-Base interactions energy: -12.454 where: short stacking energy: -12.454 Base-Backbone interact. energy: -0.000 local terms energy: -17.993631 where: bonds (distance) C4'-P energy: -3.366 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -3.952 flat angles P-C4'-P energy: -2.630 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: 5, replica: 4 ===================================== Write number: 315 Temperature: 1.100000 Total energy: -29.878303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.878303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.878303 (E_RNA) where: Base-Base interactions energy: -12.294 where: short stacking energy: -12.294 Base-Backbone interact. energy: -0.046 local terms energy: -17.538108 where: bonds (distance) C4'-P energy: -4.451 bonds (distance) P-C4' energy: -4.224 flat angles C4'-P-C4' energy: -5.332 flat angles P-C4'-P energy: -2.442 tors. eta vs tors. theta energy: -1.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 315 Temperature: 1.150000 Total energy: -30.591824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.591824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.591824 (E_RNA) where: Base-Base interactions energy: -9.190 where: short stacking energy: -9.190 Base-Backbone interact. energy: -0.100 local terms energy: -21.301954 where: bonds (distance) C4'-P energy: -4.555 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -4.494 flat angles P-C4'-P energy: -4.591 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: 7, replica: 6 ===================================== Write number: 315 Temperature: 1.200000 Total energy: -27.439193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.439193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.439193 (E_RNA) where: Base-Base interactions energy: -7.418 where: short stacking energy: -7.418 Base-Backbone interact. energy: -0.000 local terms energy: -20.021295 where: bonds (distance) C4'-P energy: -3.871 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -3.600 flat angles P-C4'-P energy: -3.689 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: 8, replica: 10 ===================================== Write number: 315 Temperature: 1.250000 Total energy: -29.688409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.688409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.688409 (E_RNA) where: Base-Base interactions energy: -13.031 where: short stacking energy: -13.031 Base-Backbone interact. energy: -0.002 local terms energy: -16.655348 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -3.169 flat angles C4'-P-C4' energy: -4.603 flat angles P-C4'-P energy: -3.631 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: 2 ===================================== Write number: 315 Temperature: 1.300000 Total energy: -27.140634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.140634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.140634 (E_RNA) where: Base-Base interactions energy: -5.052 where: short stacking energy: -5.052 Base-Backbone interact. energy: -0.000 local terms energy: -22.088202 where: bonds (distance) C4'-P energy: -4.297 bonds (distance) P-C4' energy: -5.516 flat angles C4'-P-C4' energy: -5.288 flat angles P-C4'-P energy: -4.408 tors. eta vs tors. theta energy: -2.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 315 Temperature: 1.350000 Total energy: -24.758723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.758723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.758723 (E_RNA) where: Base-Base interactions energy: -8.011 where: short stacking energy: -8.011 Base-Backbone interact. energy: -0.003 local terms energy: -16.744843 where: bonds (distance) C4'-P energy: -4.405 bonds (distance) P-C4' energy: -4.942 flat angles C4'-P-C4' energy: -2.889 flat angles P-C4'-P energy: -3.603 tors. eta vs tors. theta energy: -0.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 316 Temperature: 0.900000 Total energy: -37.218392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.218392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.218392 (E_RNA) where: Base-Base interactions energy: -11.975 where: short stacking energy: -11.975 Base-Backbone interact. energy: -0.000 local terms energy: -25.243058 where: bonds (distance) C4'-P energy: -5.283 bonds (distance) P-C4' energy: -5.734 flat angles C4'-P-C4' energy: -5.554 flat angles P-C4'-P energy: -4.389 tors. eta vs tors. theta energy: -4.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 316 Temperature: 0.950000 Total energy: -39.186557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.186557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.186557 (E_RNA) where: Base-Base interactions energy: -15.941 where: short stacking energy: -15.941 Base-Backbone interact. energy: -0.000 local terms energy: -23.245652 where: bonds (distance) C4'-P energy: -4.563 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -4.102 flat angles P-C4'-P energy: -3.753 tors. eta vs tors. theta energy: -5.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 316 Temperature: 1.000000 Total energy: -27.660300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.660300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.660300 (E_RNA) where: Base-Base interactions energy: -7.605 where: short stacking energy: -7.605 Base-Backbone interact. energy: -0.076 local terms energy: -19.979149 where: bonds (distance) C4'-P energy: -4.413 bonds (distance) P-C4' energy: -5.547 flat angles C4'-P-C4' energy: -4.696 flat angles P-C4'-P energy: -3.860 tors. eta vs tors. theta energy: -1.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 316 Temperature: 1.050000 Total energy: -31.582520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.582520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.582520 (E_RNA) where: Base-Base interactions energy: -11.870 where: short stacking energy: -11.870 Base-Backbone interact. energy: -0.068 local terms energy: -19.644464 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -3.796 flat angles C4'-P-C4' energy: -4.374 flat angles P-C4'-P energy: -4.730 tors. eta vs tors. theta energy: -1.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 316 Temperature: 1.100000 Total energy: -29.174371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.174371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.174371 (E_RNA) where: Base-Base interactions energy: -11.411 where: short stacking energy: -11.411 Base-Backbone interact. energy: -0.000 local terms energy: -17.763200 where: bonds (distance) C4'-P energy: -4.173 bonds (distance) P-C4' energy: -5.339 flat angles C4'-P-C4' energy: -5.889 flat angles P-C4'-P energy: -2.836 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: 6, replica: 4 ===================================== Write number: 316 Temperature: 1.150000 Total energy: -25.718170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.718170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.718170 (E_RNA) where: Base-Base interactions energy: -7.547 where: short stacking energy: -7.547 Base-Backbone interact. energy: -0.098 local terms energy: -18.073152 where: bonds (distance) C4'-P energy: -5.188 bonds (distance) P-C4' energy: -4.255 flat angles C4'-P-C4' energy: -4.472 flat angles P-C4'-P energy: -3.749 tors. eta vs tors. theta energy: -0.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 316 Temperature: 1.200000 Total energy: -25.907136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.907136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.907136 (E_RNA) where: Base-Base interactions energy: -7.867 where: short stacking energy: -7.867 Base-Backbone interact. energy: -0.018 local terms energy: -18.021928 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.072 flat angles C4'-P-C4' energy: -3.938 flat angles P-C4'-P energy: -3.342 tors. eta vs tors. theta energy: -0.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 316 Temperature: 1.250000 Total energy: -28.394699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.394699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.394699 (E_RNA) where: Base-Base interactions energy: -8.457 where: short stacking energy: -8.457 Base-Backbone interact. energy: -0.001 local terms energy: -19.936508 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -5.284 flat angles P-C4'-P energy: -3.869 tors. eta vs tors. theta energy: -0.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 316 Temperature: 1.300000 Total energy: -28.410621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.410621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.410621 (E_RNA) where: Base-Base interactions energy: -10.716 where: short stacking energy: -10.716 Base-Backbone interact. energy: -0.000 local terms energy: -17.695025 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -2.932 flat angles P-C4'-P energy: -3.537 tors. eta vs tors. theta energy: -0.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 316 Temperature: 1.350000 Total energy: -26.322517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.322517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.322517 (E_RNA) where: Base-Base interactions energy: -7.873 where: short stacking energy: -7.873 Base-Backbone interact. energy: -0.000 local terms energy: -18.449390 where: bonds (distance) C4'-P energy: -3.835 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -4.051 flat angles P-C4'-P energy: -3.271 tors. eta vs tors. theta energy: -1.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 317 Temperature: 0.900000 Total energy: -38.597221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.597221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.597221 (E_RNA) where: Base-Base interactions energy: -14.468 where: short stacking energy: -14.468 Base-Backbone interact. energy: -0.018 local terms energy: -24.111541 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.417 flat angles P-C4'-P energy: -2.835 tors. eta vs tors. theta energy: -5.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 317 Temperature: 0.950000 Total energy: -33.697364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.697364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.697364 (E_RNA) where: Base-Base interactions energy: -12.300 where: short stacking energy: -12.300 Base-Backbone interact. energy: -0.000 local terms energy: -21.397558 where: bonds (distance) C4'-P energy: -2.568 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -5.306 flat angles P-C4'-P energy: -4.273 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: 7 ===================================== Write number: 317 Temperature: 1.000000 Total energy: -35.325970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.325970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.325970 (E_RNA) where: Base-Base interactions energy: -12.268 where: short stacking energy: -12.268 Base-Backbone interact. energy: -0.000 local terms energy: -23.058381 where: bonds (distance) C4'-P energy: -4.025 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -5.632 flat angles P-C4'-P energy: -3.868 tors. eta vs tors. theta energy: -3.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 317 Temperature: 1.050000 Total energy: -33.257450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.257450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.257450 (E_RNA) where: Base-Base interactions energy: -13.365 where: short stacking energy: -13.365 Base-Backbone interact. energy: -0.004 local terms energy: -19.888017 where: bonds (distance) C4'-P energy: -4.778 bonds (distance) P-C4' energy: -3.786 flat angles C4'-P-C4' energy: -4.249 flat angles P-C4'-P energy: -3.328 tors. eta vs tors. theta energy: -3.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 317 Temperature: 1.100000 Total energy: -30.261538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.261538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.261538 (E_RNA) where: Base-Base interactions energy: -10.604 where: short stacking energy: -10.604 Base-Backbone interact. energy: -0.042 local terms energy: -19.614940 where: bonds (distance) C4'-P energy: -4.335 bonds (distance) P-C4' energy: -4.093 flat angles C4'-P-C4' energy: -5.305 flat angles P-C4'-P energy: -2.946 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: 6, replica: 10 ===================================== Write number: 317 Temperature: 1.150000 Total energy: -26.930824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.930824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.930824 (E_RNA) where: Base-Base interactions energy: -11.498 where: short stacking energy: -11.498 Base-Backbone interact. energy: -0.010 local terms energy: -15.422361 where: bonds (distance) C4'-P energy: -3.279 bonds (distance) P-C4' energy: -3.311 flat angles C4'-P-C4' energy: -4.236 flat angles P-C4'-P energy: -2.730 tors. eta vs tors. theta energy: -1.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 317 Temperature: 1.200000 Total energy: -30.289134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.289134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.289134 (E_RNA) where: Base-Base interactions energy: -10.700 where: short stacking energy: -10.800 Base-Backbone interact. energy: -0.001 local terms energy: -19.588241 where: bonds (distance) C4'-P energy: -3.723 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -5.487 flat angles P-C4'-P energy: -2.636 tors. eta vs tors. theta energy: -1.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 317 Temperature: 1.250000 Total energy: -26.054795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.054795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.054795 (E_RNA) where: Base-Base interactions energy: -7.520 where: short stacking energy: -7.520 Base-Backbone interact. energy: -0.000 local terms energy: -18.534957 where: bonds (distance) C4'-P energy: -4.405 bonds (distance) P-C4' energy: -4.187 flat angles C4'-P-C4' energy: -5.118 flat angles P-C4'-P energy: -2.830 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: 9, replica: 6 ===================================== Write number: 317 Temperature: 1.300000 Total energy: -27.059332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.059332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.059332 (E_RNA) where: Base-Base interactions energy: -7.109 where: short stacking energy: -7.109 Base-Backbone interact. energy: -0.000 local terms energy: -19.950144 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -5.283 flat angles C4'-P-C4' energy: -5.362 flat angles P-C4'-P energy: -3.591 tors. eta vs tors. theta energy: -0.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 317 Temperature: 1.350000 Total energy: -25.992969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.992969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.992969 (E_RNA) where: Base-Base interactions energy: -7.880 where: short stacking energy: -7.880 Base-Backbone interact. energy: -0.000 local terms energy: -18.112752 where: bonds (distance) C4'-P energy: -3.897 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -4.120 flat angles P-C4'-P energy: -2.113 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: 1, replica: 9 ===================================== Write number: 318 Temperature: 0.900000 Total energy: -36.576997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.576997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.576997 (E_RNA) where: Base-Base interactions energy: -12.128 where: short stacking energy: -12.128 Base-Backbone interact. energy: -0.000 local terms energy: -24.448961 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.519 flat angles P-C4'-P energy: -3.555 tors. eta vs tors. theta energy: -3.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 318 Temperature: 0.950000 Total energy: -30.911755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.911755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.911755 (E_RNA) where: Base-Base interactions energy: -7.942 where: short stacking energy: -7.942 Base-Backbone interact. energy: -0.032 local terms energy: -22.937420 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.275 flat angles P-C4'-P energy: -4.191 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: 3, replica: 7 ===================================== Write number: 318 Temperature: 1.000000 Total energy: -34.075563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.075563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.075563 (E_RNA) where: Base-Base interactions energy: -12.443 where: short stacking energy: -12.443 Base-Backbone interact. energy: -0.056 local terms energy: -21.576311 where: bonds (distance) C4'-P energy: -3.839 bonds (distance) P-C4' energy: -4.879 flat angles C4'-P-C4' energy: -4.958 flat angles P-C4'-P energy: -3.704 tors. eta vs tors. theta energy: -4.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 318 Temperature: 1.050000 Total energy: -31.085432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.085432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.085432 (E_RNA) where: Base-Base interactions energy: -7.788 where: short stacking energy: -7.788 Base-Backbone interact. energy: -0.000 local terms energy: -23.297738 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -4.702 flat angles C4'-P-C4' energy: -3.954 flat angles P-C4'-P energy: -4.484 tors. eta vs tors. theta energy: -4.676 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: 10 ===================================== Write number: 318 Temperature: 1.100000 Total energy: -26.934514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.934514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.934514 (E_RNA) where: Base-Base interactions energy: -6.400 where: short stacking energy: -6.400 Base-Backbone interact. energy: -0.034 local terms energy: -20.501052 where: bonds (distance) C4'-P energy: -4.911 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.894 flat angles P-C4'-P energy: -2.927 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: 6, replica: 1 ===================================== Write number: 318 Temperature: 1.150000 Total energy: -26.939342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.939342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.939342 (E_RNA) where: Base-Base interactions energy: -7.660 where: short stacking energy: -7.660 Base-Backbone interact. energy: -0.000 local terms energy: -19.278886 where: bonds (distance) C4'-P energy: -4.423 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.823 flat angles P-C4'-P energy: -2.802 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: 5 ===================================== Write number: 318 Temperature: 1.200000 Total energy: -24.813370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.813370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.813370 (E_RNA) where: Base-Base interactions energy: -7.800 where: short stacking energy: -7.800 Base-Backbone interact. energy: -0.274 local terms energy: -16.739882 where: bonds (distance) C4'-P energy: -1.744 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.539 flat angles P-C4'-P energy: -2.545 tors. eta vs tors. theta energy: -1.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 318 Temperature: 1.250000 Total energy: -27.121221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.121221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.121221 (E_RNA) where: Base-Base interactions energy: -8.739 where: short stacking energy: -9.642 Base-Backbone interact. energy: -0.008 local terms energy: -18.374213 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.197 flat angles P-C4'-P energy: -1.918 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: 9, replica: 2 ===================================== Write number: 318 Temperature: 1.300000 Total energy: -25.225924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.225924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.225924 (E_RNA) where: Base-Base interactions energy: -7.610 where: short stacking energy: -7.644 Base-Backbone interact. energy: -0.000 local terms energy: -17.614977 where: bonds (distance) C4'-P energy: -5.391 bonds (distance) P-C4' energy: -4.448 flat angles C4'-P-C4' energy: -1.668 flat angles P-C4'-P energy: -3.160 tors. eta vs tors. theta energy: -2.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 318 Temperature: 1.350000 Total energy: -23.740147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.740147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.740147 (E_RNA) where: Base-Base interactions energy: -4.165 where: short stacking energy: -4.165 Base-Backbone interact. energy: -0.099 local terms energy: -19.476023 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -3.497 flat angles P-C4'-P energy: -4.438 tors. eta vs tors. theta energy: -0.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 319 Temperature: 0.900000 Total energy: -36.506875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.506875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.506875 (E_RNA) where: Base-Base interactions energy: -14.132 where: short stacking energy: -14.132 Base-Backbone interact. energy: -0.000 local terms energy: -22.374422 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -5.209 flat angles C4'-P-C4' energy: -5.119 flat angles P-C4'-P energy: -2.992 tors. eta vs tors. theta energy: -3.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 319 Temperature: 0.950000 Total energy: -35.837530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.837530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.837530 (E_RNA) where: Base-Base interactions energy: -10.708 where: short stacking energy: -10.708 Base-Backbone interact. energy: -0.011 local terms energy: -25.118984 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -4.548 flat angles P-C4'-P energy: -4.377 tors. eta vs tors. theta energy: -5.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 319 Temperature: 1.000000 Total energy: -32.610131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.610131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.610131 (E_RNA) where: Base-Base interactions energy: -7.842 where: short stacking energy: -7.842 Base-Backbone interact. energy: -0.000 local terms energy: -24.768164 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -5.765 flat angles P-C4'-P energy: -3.923 tors. eta vs tors. theta energy: -4.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 319 Temperature: 1.050000 Total energy: -28.080779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.080779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.080779 (E_RNA) where: Base-Base interactions energy: -7.745 where: short stacking energy: -7.745 Base-Backbone interact. energy: -0.000 local terms energy: -20.335502 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -4.436 flat angles C4'-P-C4' energy: -3.550 flat angles P-C4'-P energy: -4.789 tors. eta vs tors. theta energy: -2.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 319 Temperature: 1.100000 Total energy: -28.908907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.908907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.908907 (E_RNA) where: Base-Base interactions energy: -8.531 where: short stacking energy: -8.531 Base-Backbone interact. energy: -0.033 local terms energy: -20.344653 where: bonds (distance) C4'-P energy: -4.628 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -5.210 flat angles P-C4'-P energy: -3.845 tors. eta vs tors. theta energy: -1.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 319 Temperature: 1.150000 Total energy: -30.211624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.211624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.211624 (E_RNA) where: Base-Base interactions energy: -11.004 where: short stacking energy: -11.004 Base-Backbone interact. energy: -0.000 local terms energy: -19.207763 where: bonds (distance) C4'-P energy: -2.737 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.537 flat angles P-C4'-P energy: -3.510 tors. eta vs tors. theta energy: -1.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 319 Temperature: 1.200000 Total energy: -30.725305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.725305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.725305 (E_RNA) where: Base-Base interactions energy: -12.275 where: short stacking energy: -12.275 Base-Backbone interact. energy: -0.000 local terms energy: -18.449938 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -4.624 flat angles C4'-P-C4' energy: -5.509 flat angles P-C4'-P energy: -0.113 tors. eta vs tors. theta energy: -2.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 319 Temperature: 1.250000 Total energy: -30.204224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.204224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.204224 (E_RNA) where: Base-Base interactions energy: -9.327 where: short stacking energy: -9.327 Base-Backbone interact. energy: -0.000 local terms energy: -20.877076 where: bonds (distance) C4'-P energy: -4.663 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.850 flat angles P-C4'-P energy: -3.662 tors. eta vs tors. theta energy: -1.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 319 Temperature: 1.300000 Total energy: -29.083164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.083164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.083164 (E_RNA) where: Base-Base interactions energy: -6.603 where: short stacking energy: -6.603 Base-Backbone interact. energy: -0.035 local terms energy: -22.446049 where: bonds (distance) C4'-P energy: -5.159 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.709 flat angles P-C4'-P energy: -2.521 tors. eta vs tors. theta energy: -3.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 319 Temperature: 1.350000 Total energy: -28.985059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.985059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.985059 (E_RNA) where: Base-Base interactions energy: -10.273 where: short stacking energy: -10.273 Base-Backbone interact. energy: -0.000 local terms energy: -18.711726 where: bonds (distance) C4'-P energy: -4.140 bonds (distance) P-C4' energy: -4.642 flat angles C4'-P-C4' energy: -2.917 flat angles P-C4'-P energy: -4.192 tors. eta vs tors. theta energy: -2.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 320 Temperature: 0.900000 Total energy: -34.705926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.705926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.705926 (E_RNA) where: Base-Base interactions energy: -9.888 where: short stacking energy: -9.888 Base-Backbone interact. energy: -0.000 local terms energy: -24.818408 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -5.164 flat angles P-C4'-P energy: -4.273 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: 2, replica: 7 ===================================== Write number: 320 Temperature: 0.950000 Total energy: -35.862483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.862483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.862483 (E_RNA) where: Base-Base interactions energy: -13.434 where: short stacking energy: -13.434 Base-Backbone interact. energy: -0.002 local terms energy: -22.426509 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -4.761 flat angles C4'-P-C4' energy: -5.360 flat angles P-C4'-P energy: -2.735 tors. eta vs tors. theta energy: -4.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 320 Temperature: 1.000000 Total energy: -29.195798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.195798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.195798 (E_RNA) where: Base-Base interactions energy: -10.467 where: short stacking energy: -10.467 Base-Backbone interact. energy: -0.065 local terms energy: -18.664082 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.231 flat angles C4'-P-C4' energy: -4.301 flat angles P-C4'-P energy: -3.582 tors. eta vs tors. theta energy: -0.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 320 Temperature: 1.050000 Total energy: -34.118690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.118690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.118690 (E_RNA) where: Base-Base interactions energy: -11.372 where: short stacking energy: -11.372 Base-Backbone interact. energy: -0.001 local terms energy: -22.745726 where: bonds (distance) C4'-P energy: -4.315 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -4.637 flat angles P-C4'-P energy: -4.266 tors. eta vs tors. theta energy: -3.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 320 Temperature: 1.100000 Total energy: -32.515136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.515136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.515136 (E_RNA) where: Base-Base interactions energy: -10.232 where: short stacking energy: -10.232 Base-Backbone interact. energy: -0.000 local terms energy: -22.283186 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -5.157 flat angles P-C4'-P energy: -4.350 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: 6, replica: 8 ===================================== Write number: 320 Temperature: 1.150000 Total energy: -24.298093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.298093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.298093 (E_RNA) where: Base-Base interactions energy: -3.538 where: short stacking energy: -3.538 Base-Backbone interact. energy: -0.000 local terms energy: -20.759778 where: bonds (distance) C4'-P energy: -4.343 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.853 flat angles P-C4'-P energy: -4.218 tors. eta vs tors. theta energy: -1.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 320 Temperature: 1.200000 Total energy: -25.067248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.067248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.067248 (E_RNA) where: Base-Base interactions energy: -6.543 where: short stacking energy: -6.543 Base-Backbone interact. energy: -0.001 local terms energy: -18.523447 where: bonds (distance) C4'-P energy: -3.305 bonds (distance) P-C4' energy: -5.298 flat angles C4'-P-C4' energy: -4.543 flat angles P-C4'-P energy: -4.017 tors. eta vs tors. theta energy: -1.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 320 Temperature: 1.250000 Total energy: -33.336899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.336899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.336899 (E_RNA) where: Base-Base interactions energy: -11.798 where: short stacking energy: -11.798 Base-Backbone interact. energy: -0.000 local terms energy: -21.538721 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -5.091 flat angles P-C4'-P energy: -2.179 tors. eta vs tors. theta energy: -3.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 320 Temperature: 1.300000 Total energy: -25.441920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.441920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.441920 (E_RNA) where: Base-Base interactions energy: -8.151 where: short stacking energy: -8.151 Base-Backbone interact. energy: -0.003 local terms energy: -17.287476 where: bonds (distance) C4'-P energy: -4.248 bonds (distance) P-C4' energy: -5.298 flat angles C4'-P-C4' energy: -4.603 flat angles P-C4'-P energy: -2.814 tors. eta vs tors. theta energy: -0.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 320 Temperature: 1.350000 Total energy: -23.417569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.417569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.417569 (E_RNA) where: Base-Base interactions energy: -7.057 where: short stacking energy: -7.057 Base-Backbone interact. energy: -0.035 local terms energy: -16.325529 where: bonds (distance) C4'-P energy: -4.057 bonds (distance) P-C4' energy: -4.875 flat angles C4'-P-C4' energy: -4.912 flat angles P-C4'-P energy: -1.783 tors. eta vs tors. theta energy: -0.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 321 Temperature: 0.900000 Total energy: -37.015467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.015467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.015467 (E_RNA) where: Base-Base interactions energy: -16.398 where: short stacking energy: -16.398 Base-Backbone interact. energy: -0.000 local terms energy: -20.617057 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -3.765 flat angles C4'-P-C4' energy: -5.031 flat angles P-C4'-P energy: -3.790 tors. eta vs tors. theta energy: -3.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 321 Temperature: 0.950000 Total energy: -34.699752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.699752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.699752 (E_RNA) where: Base-Base interactions energy: -12.111 where: short stacking energy: -12.111 Base-Backbone interact. energy: -0.000 local terms energy: -22.588431 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -5.028 flat angles P-C4'-P energy: -3.966 tors. eta vs tors. theta energy: -2.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 321 Temperature: 1.000000 Total energy: -28.946181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.946181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.946181 (E_RNA) where: Base-Base interactions energy: -7.892 where: short stacking energy: -7.892 Base-Backbone interact. energy: -0.034 local terms energy: -21.019586 where: bonds (distance) C4'-P energy: -4.679 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -5.241 flat angles P-C4'-P energy: -2.983 tors. eta vs tors. theta energy: -1.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 321 Temperature: 1.050000 Total energy: -31.692924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.692924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.692924 (E_RNA) where: Base-Base interactions energy: -9.992 where: short stacking energy: -9.992 Base-Backbone interact. energy: -0.073 local terms energy: -21.628094 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -5.166 flat angles P-C4'-P energy: -2.949 tors. eta vs tors. theta energy: -2.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 321 Temperature: 1.100000 Total energy: -35.929192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.929192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.929192 (E_RNA) where: Base-Base interactions energy: -14.338 where: short stacking energy: -14.338 Base-Backbone interact. energy: -0.001 local terms energy: -21.590742 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -4.237 flat angles C4'-P-C4' energy: -4.326 flat angles P-C4'-P energy: -3.673 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: 2 ===================================== Write number: 321 Temperature: 1.150000 Total energy: -27.546457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.546457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.546457 (E_RNA) where: Base-Base interactions energy: -8.651 where: short stacking energy: -8.651 Base-Backbone interact. energy: -0.000 local terms energy: -18.895087 where: bonds (distance) C4'-P energy: -2.530 bonds (distance) P-C4' energy: -6.020 flat angles C4'-P-C4' energy: -4.937 flat angles P-C4'-P energy: -2.549 tors. eta vs tors. theta energy: -2.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 321 Temperature: 1.200000 Total energy: -31.975299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.975299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.975299 (E_RNA) where: Base-Base interactions energy: -10.865 where: short stacking energy: -10.865 Base-Backbone interact. energy: -0.001 local terms energy: -21.109407 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.700 flat angles P-C4'-P energy: -3.645 tors. eta vs tors. theta energy: -1.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 321 Temperature: 1.250000 Total energy: -28.333382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.333382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.333382 (E_RNA) where: Base-Base interactions energy: -8.367 where: short stacking energy: -8.367 Base-Backbone interact. energy: -0.005 local terms energy: -19.961198 where: bonds (distance) C4'-P energy: -3.366 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -5.201 flat angles P-C4'-P energy: -2.174 tors. eta vs tors. theta energy: -3.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 321 Temperature: 1.300000 Total energy: -27.363582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.363582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.363582 (E_RNA) where: Base-Base interactions energy: -12.058 where: short stacking energy: -12.058 Base-Backbone interact. energy: 0.133 local terms energy: -15.438739 where: bonds (distance) C4'-P energy: -0.535 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -2.885 flat angles P-C4'-P energy: -1.495 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: 10, replica: 4 ===================================== Write number: 321 Temperature: 1.350000 Total energy: -22.884077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.884077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.884077 (E_RNA) where: Base-Base interactions energy: -7.377 where: short stacking energy: -7.377 Base-Backbone interact. energy: -0.001 local terms energy: -15.505893 where: bonds (distance) C4'-P energy: -2.957 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -4.737 flat angles P-C4'-P energy: -1.005 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: 9 ===================================== Write number: 322 Temperature: 0.900000 Total energy: -37.657563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.657563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.657563 (E_RNA) where: Base-Base interactions energy: -14.532 where: short stacking energy: -14.532 Base-Backbone interact. energy: -0.000 local terms energy: -23.125238 where: bonds (distance) C4'-P energy: -5.606 bonds (distance) P-C4' energy: -4.603 flat angles C4'-P-C4' energy: -3.185 flat angles P-C4'-P energy: -3.828 tors. eta vs tors. theta energy: -5.903 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: 10 ===================================== Write number: 322 Temperature: 0.950000 Total energy: -36.939323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.939323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.939323 (E_RNA) where: Base-Base interactions energy: -15.742 where: short stacking energy: -15.742 Base-Backbone interact. energy: -0.005 local terms energy: -21.192587 where: bonds (distance) C4'-P energy: -5.283 bonds (distance) P-C4' energy: -4.776 flat angles C4'-P-C4' energy: -5.450 flat angles P-C4'-P energy: -3.715 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: 3, replica: 5 ===================================== Write number: 322 Temperature: 1.000000 Total energy: -30.087689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.087689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.087689 (E_RNA) where: Base-Base interactions energy: -10.206 where: short stacking energy: -10.206 Base-Backbone interact. energy: 0.717 local terms energy: -20.598350 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.261 flat angles C4'-P-C4' energy: -4.815 flat angles P-C4'-P energy: -3.976 tors. eta vs tors. theta energy: -1.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 322 Temperature: 1.050000 Total energy: -31.611936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.611936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.611936 (E_RNA) where: Base-Base interactions energy: -10.666 where: short stacking energy: -10.666 Base-Backbone interact. energy: -0.000 local terms energy: -20.945515 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.065 flat angles C4'-P-C4' energy: -5.716 flat angles P-C4'-P energy: -3.965 tors. eta vs tors. theta energy: -0.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 322 Temperature: 1.100000 Total energy: -30.361351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.361351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.361351 (E_RNA) where: Base-Base interactions energy: -11.925 where: short stacking energy: -11.925 Base-Backbone interact. energy: -0.000 local terms energy: -18.436331 where: bonds (distance) C4'-P energy: -3.308 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -4.674 flat angles P-C4'-P energy: -2.402 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: 6, replica: 3 ===================================== Write number: 322 Temperature: 1.150000 Total energy: -31.149345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.149345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.149345 (E_RNA) where: Base-Base interactions energy: -11.639 where: short stacking energy: -11.639 Base-Backbone interact. energy: -0.000 local terms energy: -19.510324 where: bonds (distance) C4'-P energy: -2.406 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -4.833 flat angles P-C4'-P energy: -2.647 tors. eta vs tors. theta energy: -4.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 322 Temperature: 1.200000 Total energy: -24.871743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.871743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.871743 (E_RNA) where: Base-Base interactions energy: -5.709 where: short stacking energy: -5.709 Base-Backbone interact. energy: -0.369 local terms energy: -18.793891 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -4.030 flat angles P-C4'-P energy: -3.714 tors. eta vs tors. theta energy: 0.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 322 Temperature: 1.250000 Total energy: -28.203295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.203295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.203295 (E_RNA) where: Base-Base interactions energy: -8.150 where: short stacking energy: -8.150 Base-Backbone interact. energy: 1.157 local terms energy: -21.210347 where: bonds (distance) C4'-P energy: -5.010 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.958 flat angles P-C4'-P energy: -3.166 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: 9, replica: 4 ===================================== Write number: 322 Temperature: 1.300000 Total energy: -23.036566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.036566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.036566 (E_RNA) where: Base-Base interactions energy: -3.730 where: short stacking energy: -3.730 Base-Backbone interact. energy: -0.000 local terms energy: -19.306914 where: bonds (distance) C4'-P energy: -4.485 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -3.338 flat angles P-C4'-P energy: -3.173 tors. eta vs tors. theta energy: -2.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 322 Temperature: 1.350000 Total energy: -25.506880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.506880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.506880 (E_RNA) where: Base-Base interactions energy: -8.153 where: short stacking energy: -8.153 Base-Backbone interact. energy: -0.088 local terms energy: -17.266720 where: bonds (distance) C4'-P energy: -4.778 bonds (distance) P-C4' energy: -3.510 flat angles C4'-P-C4' energy: -4.807 flat angles P-C4'-P energy: -2.420 tors. eta vs tors. theta energy: -1.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 323 Temperature: 0.900000 Total energy: -27.957598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.957598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.957598 (E_RNA) where: Base-Base interactions energy: -8.818 where: short stacking energy: -8.818 Base-Backbone interact. energy: -0.908 local terms energy: -18.231340 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.743 flat angles P-C4'-P energy: -1.799 tors. eta vs tors. theta energy: -0.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 323 Temperature: 0.950000 Total energy: -33.165567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.165567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.165567 (E_RNA) where: Base-Base interactions energy: -12.291 where: short stacking energy: -12.291 Base-Backbone interact. energy: -0.000 local terms energy: -20.873963 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.126 flat angles P-C4'-P energy: -2.811 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: 3, replica: 10 ===================================== Write number: 323 Temperature: 1.000000 Total energy: -35.163344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.163344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.163344 (E_RNA) where: Base-Base interactions energy: -15.009 where: short stacking energy: -15.009 Base-Backbone interact. energy: -0.000 local terms energy: -20.154332 where: bonds (distance) C4'-P energy: -4.547 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.307 flat angles P-C4'-P energy: -1.334 tors. eta vs tors. theta energy: -2.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 323 Temperature: 1.050000 Total energy: -35.258974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.258974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.258974 (E_RNA) where: Base-Base interactions energy: -12.657 where: short stacking energy: -12.657 Base-Backbone interact. energy: -0.001 local terms energy: -22.600482 where: bonds (distance) C4'-P energy: -3.135 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.431 flat angles P-C4'-P energy: -3.698 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: 5, replica: 7 ===================================== Write number: 323 Temperature: 1.100000 Total energy: -25.309277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.309277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.309277 (E_RNA) where: Base-Base interactions energy: -7.209 where: short stacking energy: -7.209 Base-Backbone interact. energy: -0.063 local terms energy: -18.036389 where: bonds (distance) C4'-P energy: -2.825 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -3.151 flat angles P-C4'-P energy: -2.826 tors. eta vs tors. theta energy: -3.454 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: 6, replica: 3 ===================================== Write number: 323 Temperature: 1.150000 Total energy: -33.505276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.505276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.505276 (E_RNA) where: Base-Base interactions energy: -13.651 where: short stacking energy: -13.651 Base-Backbone interact. energy: -0.000 local terms energy: -19.853916 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.283 flat angles C4'-P-C4' energy: -3.965 flat angles P-C4'-P energy: -3.270 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: 7, replica: 6 ===================================== Write number: 323 Temperature: 1.200000 Total energy: -33.973474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.973474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.973474 (E_RNA) where: Base-Base interactions energy: -12.284 where: short stacking energy: -12.284 Base-Backbone interact. energy: -0.000 local terms energy: -21.689129 where: bonds (distance) C4'-P energy: -5.275 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -4.584 flat angles P-C4'-P energy: -3.437 tors. eta vs tors. theta energy: -3.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 323 Temperature: 1.250000 Total energy: -27.541606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.541606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.541606 (E_RNA) where: Base-Base interactions energy: -12.293 where: short stacking energy: -12.293 Base-Backbone interact. energy: 1.889 local terms energy: -17.137272 where: bonds (distance) C4'-P energy: -4.335 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -1.407 flat angles P-C4'-P energy: -2.885 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: 9, replica: 8 ===================================== Write number: 323 Temperature: 1.300000 Total energy: -26.025064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.025064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.025064 (E_RNA) where: Base-Base interactions energy: -8.223 where: short stacking energy: -8.223 Base-Backbone interact. energy: -0.001 local terms energy: -17.800974 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -4.706 flat angles C4'-P-C4' energy: -4.419 flat angles P-C4'-P energy: -1.772 tors. eta vs tors. theta energy: -2.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 323 Temperature: 1.350000 Total energy: -25.991667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.991667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.991667 (E_RNA) where: Base-Base interactions energy: -7.998 where: short stacking energy: -7.998 Base-Backbone interact. energy: -0.000 local terms energy: -17.994117 where: bonds (distance) C4'-P energy: -4.405 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.994 flat angles P-C4'-P energy: -1.634 tors. eta vs tors. theta energy: -0.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 324 Temperature: 0.900000 Total energy: -31.101590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.101590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.101590 (E_RNA) where: Base-Base interactions energy: -11.286 where: short stacking energy: -11.286 Base-Backbone interact. energy: -0.006 local terms energy: -19.809422 where: bonds (distance) C4'-P energy: -4.779 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -4.275 flat angles P-C4'-P energy: -2.745 tors. eta vs tors. theta energy: -1.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 324 Temperature: 0.950000 Total energy: -35.561398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.561398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.561398 (E_RNA) where: Base-Base interactions energy: -14.916 where: short stacking energy: -14.916 Base-Backbone interact. energy: -0.000 local terms energy: -20.644891 where: bonds (distance) C4'-P energy: -5.159 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -2.668 flat angles P-C4'-P energy: -3.380 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: 3, replica: 2 ===================================== Write number: 324 Temperature: 1.000000 Total energy: -38.650785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.650785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.650785 (E_RNA) where: Base-Base interactions energy: -17.230 where: short stacking energy: -17.230 Base-Backbone interact. energy: -0.000 local terms energy: -21.420934 where: bonds (distance) C4'-P energy: -5.391 bonds (distance) P-C4' energy: -3.152 flat angles C4'-P-C4' energy: -5.221 flat angles P-C4'-P energy: -2.325 tors. eta vs tors. theta energy: -5.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 324 Temperature: 1.050000 Total energy: -29.947411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.947411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.947411 (E_RNA) where: Base-Base interactions energy: -11.430 where: short stacking energy: -11.430 Base-Backbone interact. energy: -0.012 local terms energy: -18.505235 where: bonds (distance) C4'-P energy: -5.391 bonds (distance) P-C4' energy: -3.839 flat angles C4'-P-C4' energy: -3.967 flat angles P-C4'-P energy: -3.677 tors. eta vs tors. theta energy: -1.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 324 Temperature: 1.100000 Total energy: -30.883691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.883691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.883691 (E_RNA) where: Base-Base interactions energy: -10.557 where: short stacking energy: -10.557 Base-Backbone interact. energy: -0.000 local terms energy: -20.326515 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -5.333 flat angles C4'-P-C4' energy: -5.096 flat angles P-C4'-P energy: -3.763 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: 6, replica: 3 ===================================== Write number: 324 Temperature: 1.150000 Total energy: -27.098001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.098001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.098001 (E_RNA) where: Base-Base interactions energy: -7.579 where: short stacking energy: -7.579 Base-Backbone interact. energy: -0.001 local terms energy: -19.518465 where: bonds (distance) C4'-P energy: -4.609 bonds (distance) P-C4' energy: -5.551 flat angles C4'-P-C4' energy: -4.329 flat angles P-C4'-P energy: -2.858 tors. eta vs tors. theta energy: -2.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 324 Temperature: 1.200000 Total energy: -28.910988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.910988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.910988 (E_RNA) where: Base-Base interactions energy: -9.868 where: short stacking energy: -9.868 Base-Backbone interact. energy: 0.302 local terms energy: -19.344918 where: bonds (distance) C4'-P energy: -4.111 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -2.820 flat angles P-C4'-P energy: -4.187 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: 6 ===================================== Write number: 324 Temperature: 1.250000 Total energy: -29.143045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.143045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.143045 (E_RNA) where: Base-Base interactions energy: -8.936 where: short stacking energy: -8.936 Base-Backbone interact. energy: -0.042 local terms energy: -20.165257 where: bonds (distance) C4'-P energy: -4.137 bonds (distance) P-C4' energy: -5.516 flat angles C4'-P-C4' energy: -4.087 flat angles P-C4'-P energy: -4.724 tors. eta vs tors. theta energy: -1.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 324 Temperature: 1.300000 Total energy: -29.463136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.463136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.463136 (E_RNA) where: Base-Base interactions energy: -11.874 where: short stacking energy: -11.874 Base-Backbone interact. energy: -0.001 local terms energy: -17.588026 where: bonds (distance) C4'-P energy: -1.785 bonds (distance) P-C4' energy: -5.336 flat angles C4'-P-C4' energy: -1.736 flat angles P-C4'-P energy: -3.399 tors. eta vs tors. theta energy: -5.332 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: 8 ===================================== Write number: 324 Temperature: 1.350000 Total energy: -28.007826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.007826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.007826 (E_RNA) where: Base-Base interactions energy: -12.442 where: short stacking energy: -10.320 Base-Backbone interact. energy: -0.015 local terms energy: -15.550552 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -2.948 flat angles C4'-P-C4' energy: -4.163 flat angles P-C4'-P energy: -2.581 tors. eta vs tors. theta energy: -0.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 325 Temperature: 0.900000 Total energy: -35.448283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.448283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.448283 (E_RNA) where: Base-Base interactions energy: -12.861 where: short stacking energy: -12.861 Base-Backbone interact. energy: -0.002 local terms energy: -22.584577 where: bonds (distance) C4'-P energy: -5.598 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -5.205 flat angles P-C4'-P energy: -4.407 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: 2, replica: 2 ===================================== Write number: 325 Temperature: 0.950000 Total energy: -36.533703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.533703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.533703 (E_RNA) where: Base-Base interactions energy: -12.390 where: short stacking energy: -12.390 Base-Backbone interact. energy: -0.000 local terms energy: -24.143898 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.125 flat angles P-C4'-P energy: -4.122 tors. eta vs tors. theta energy: -5.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 325 Temperature: 1.000000 Total energy: -29.734690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.734690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.734690 (E_RNA) where: Base-Base interactions energy: -10.639 where: short stacking energy: -10.639 Base-Backbone interact. energy: -0.000 local terms energy: -19.095781 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -4.526 flat angles C4'-P-C4' energy: -4.081 flat angles P-C4'-P energy: -2.337 tors. eta vs tors. theta energy: -3.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 325 Temperature: 1.050000 Total energy: -33.109409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.109409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.109409 (E_RNA) where: Base-Base interactions energy: -11.975 where: short stacking energy: -11.975 Base-Backbone interact. energy: -0.085 local terms energy: -21.049088 where: bonds (distance) C4'-P energy: -3.871 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -5.286 flat angles P-C4'-P energy: -4.319 tors. eta vs tors. theta energy: -1.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 325 Temperature: 1.100000 Total energy: -26.899124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.899124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.899124 (E_RNA) where: Base-Base interactions energy: -8.236 where: short stacking energy: -8.236 Base-Backbone interact. energy: -0.003 local terms energy: -18.660584 where: bonds (distance) C4'-P energy: -3.392 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -4.775 flat angles P-C4'-P energy: -3.177 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: 6, replica: 4 ===================================== Write number: 325 Temperature: 1.150000 Total energy: -24.433276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.433276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.433276 (E_RNA) where: Base-Base interactions energy: -3.634 where: short stacking energy: -3.634 Base-Backbone interact. energy: -0.005 local terms energy: -20.794393 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.113 flat angles P-C4'-P energy: -3.803 tors. eta vs tors. theta energy: -0.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 325 Temperature: 1.200000 Total energy: -25.484054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.484054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.484054 (E_RNA) where: Base-Base interactions energy: -7.455 where: short stacking energy: -7.455 Base-Backbone interact. energy: -0.000 local terms energy: -18.029347 where: bonds (distance) C4'-P energy: -5.126 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -3.633 flat angles P-C4'-P energy: -1.333 tors. eta vs tors. theta energy: -2.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 325 Temperature: 1.250000 Total energy: -28.285548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.285548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.285548 (E_RNA) where: Base-Base interactions energy: -12.208 where: short stacking energy: -12.208 Base-Backbone interact. energy: -0.000 local terms energy: -16.077237 where: bonds (distance) C4'-P energy: -2.621 bonds (distance) P-C4' energy: -4.212 flat angles C4'-P-C4' energy: -5.245 flat angles P-C4'-P energy: -1.496 tors. eta vs tors. theta energy: -2.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 325 Temperature: 1.300000 Total energy: -24.120894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.120894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.120894 (E_RNA) where: Base-Base interactions energy: -4.966 where: short stacking energy: -4.966 Base-Backbone interact. energy: -0.000 local terms energy: -19.155311 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -5.452 flat angles P-C4'-P energy: -2.068 tors. eta vs tors. theta energy: -1.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 325 Temperature: 1.350000 Total energy: -23.573746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.573746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.573746 (E_RNA) where: Base-Base interactions energy: -4.938 where: short stacking energy: -4.938 Base-Backbone interact. energy: -0.082 local terms energy: -18.554334 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -3.709 flat angles P-C4'-P energy: -1.339 tors. eta vs tors. theta energy: -2.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 326 Temperature: 0.900000 Total energy: -37.902622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.902622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.902622 (E_RNA) where: Base-Base interactions energy: -14.521 where: short stacking energy: -14.521 Base-Backbone interact. energy: -0.055 local terms energy: -23.327389 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -5.393 flat angles P-C4'-P energy: -4.058 tors. eta vs tors. theta energy: -3.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 326 Temperature: 0.950000 Total energy: -36.058369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.058369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.058369 (E_RNA) where: Base-Base interactions energy: -14.869 where: short stacking energy: -14.869 Base-Backbone interact. energy: -0.000 local terms energy: -21.189377 where: bonds (distance) C4'-P energy: -4.389 bonds (distance) P-C4' energy: -3.532 flat angles C4'-P-C4' energy: -4.673 flat angles P-C4'-P energy: -3.689 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: 3, replica: 7 ===================================== Write number: 326 Temperature: 1.000000 Total energy: -33.971088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.971088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.971088 (E_RNA) where: Base-Base interactions energy: -12.073 where: short stacking energy: -12.073 Base-Backbone interact. energy: -0.028 local terms energy: -21.870106 where: bonds (distance) C4'-P energy: -3.925 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.094 flat angles P-C4'-P energy: -3.869 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: 4, replica: 5 ===================================== Write number: 326 Temperature: 1.050000 Total energy: -35.935372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.935372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.935372 (E_RNA) where: Base-Base interactions energy: -16.249 where: short stacking energy: -16.249 Base-Backbone interact. energy: -0.003 local terms energy: -19.683343 where: bonds (distance) C4'-P energy: -4.405 bonds (distance) P-C4' energy: -4.969 flat angles C4'-P-C4' energy: -3.771 flat angles P-C4'-P energy: -3.648 tors. eta vs tors. theta energy: -2.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 326 Temperature: 1.100000 Total energy: -29.084500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.084500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.084500 (E_RNA) where: Base-Base interactions energy: -10.392 where: short stacking energy: -10.392 Base-Backbone interact. energy: -0.000 local terms energy: -18.692523 where: bonds (distance) C4'-P energy: -4.227 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -0.295 flat angles P-C4'-P energy: -3.586 tors. eta vs tors. theta energy: -5.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 326 Temperature: 1.150000 Total energy: -30.573109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.573109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.573109 (E_RNA) where: Base-Base interactions energy: -9.180 where: short stacking energy: -9.180 Base-Backbone interact. energy: -0.000 local terms energy: -21.393064 where: bonds (distance) C4'-P energy: -3.723 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -5.260 flat angles P-C4'-P energy: -3.492 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: 1 ===================================== Write number: 326 Temperature: 1.200000 Total energy: -30.100008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.100008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.100008 (E_RNA) where: Base-Base interactions energy: -11.174 where: short stacking energy: -11.174 Base-Backbone interact. energy: -0.000 local terms energy: -18.925507 where: bonds (distance) C4'-P energy: -3.536 bonds (distance) P-C4' energy: -4.473 flat angles C4'-P-C4' energy: -4.816 flat angles P-C4'-P energy: -3.892 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: 8, replica: 3 ===================================== Write number: 326 Temperature: 1.250000 Total energy: -28.233466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.233466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.233466 (E_RNA) where: Base-Base interactions energy: -11.102 where: short stacking energy: -11.102 Base-Backbone interact. energy: -0.000 local terms energy: -17.131049 where: bonds (distance) C4'-P energy: -2.398 bonds (distance) P-C4' energy: -2.689 flat angles C4'-P-C4' energy: -4.619 flat angles P-C4'-P energy: -4.809 tors. eta vs tors. theta energy: -2.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 326 Temperature: 1.300000 Total energy: -25.731717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.731717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.731717 (E_RNA) where: Base-Base interactions energy: -4.787 where: short stacking energy: -4.787 Base-Backbone interact. energy: -0.000 local terms energy: -20.944456 where: bonds (distance) C4'-P energy: -4.609 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -4.976 flat angles P-C4'-P energy: -3.906 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: 10, replica: 6 ===================================== Write number: 326 Temperature: 1.350000 Total energy: -26.254868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.254868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.254868 (E_RNA) where: Base-Base interactions energy: -8.324 where: short stacking energy: -8.324 Base-Backbone interact. energy: -0.030 local terms energy: -17.900373 where: bonds (distance) C4'-P energy: -4.547 bonds (distance) P-C4' energy: -5.730 flat angles C4'-P-C4' energy: -5.386 flat angles P-C4'-P energy: -1.353 tors. eta vs tors. theta energy: -0.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 327 Temperature: 0.900000 Total energy: -40.770674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.770674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.770674 (E_RNA) where: Base-Base interactions energy: -15.801 where: short stacking energy: -15.801 Base-Backbone interact. energy: -0.000 local terms energy: -24.969641 where: bonds (distance) C4'-P energy: -4.413 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -5.218 flat angles P-C4'-P energy: -4.433 tors. eta vs tors. theta energy: -6.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 327 Temperature: 0.950000 Total energy: -29.818251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.818251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.818251 (E_RNA) where: Base-Base interactions energy: -7.962 where: short stacking energy: -7.962 Base-Backbone interact. energy: -0.000 local terms energy: -21.856137 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -4.996 flat angles P-C4'-P energy: -4.798 tors. eta vs tors. theta energy: -1.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 327 Temperature: 1.000000 Total energy: -29.593449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.593449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.593449 (E_RNA) where: Base-Base interactions energy: -7.365 where: short stacking energy: -7.365 Base-Backbone interact. energy: -0.065 local terms energy: -22.163416 where: bonds (distance) C4'-P energy: -4.413 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -4.888 flat angles P-C4'-P energy: -3.714 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: 4, replica: 4 ===================================== Write number: 327 Temperature: 1.050000 Total energy: -29.361764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.361764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.361764 (E_RNA) where: Base-Base interactions energy: -11.124 where: short stacking energy: -11.124 Base-Backbone interact. energy: -0.000 local terms energy: -18.238002 where: bonds (distance) C4'-P energy: -3.632 bonds (distance) P-C4' energy: -4.994 flat angles C4'-P-C4' energy: -2.650 flat angles P-C4'-P energy: -2.218 tors. eta vs tors. theta energy: -4.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 327 Temperature: 1.100000 Total energy: -37.752034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.752034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.752034 (E_RNA) where: Base-Base interactions energy: -16.011 where: short stacking energy: -16.011 Base-Backbone interact. energy: -0.070 local terms energy: -21.671194 where: bonds (distance) C4'-P energy: -4.103 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -5.222 flat angles P-C4'-P energy: -2.906 tors. eta vs tors. theta energy: -3.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 327 Temperature: 1.150000 Total energy: -32.014969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.014969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.014969 (E_RNA) where: Base-Base interactions energy: -11.417 where: short stacking energy: -11.417 Base-Backbone interact. energy: -0.000 local terms energy: -20.597921 where: bonds (distance) C4'-P energy: -4.199 bonds (distance) P-C4' energy: -3.041 flat angles C4'-P-C4' energy: -5.063 flat angles P-C4'-P energy: -3.942 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: 7, replica: 10 ===================================== Write number: 327 Temperature: 1.200000 Total energy: -26.794844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.794844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.794844 (E_RNA) where: Base-Base interactions energy: -5.832 where: short stacking energy: -5.832 Base-Backbone interact. energy: -0.000 local terms energy: -20.962456 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.773 flat angles P-C4'-P energy: -2.499 tors. eta vs tors. theta energy: -2.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 327 Temperature: 1.250000 Total energy: -27.594696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.594696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.594696 (E_RNA) where: Base-Base interactions energy: -9.032 where: short stacking energy: -9.032 Base-Backbone interact. energy: -0.012 local terms energy: -18.551392 where: bonds (distance) C4'-P energy: -3.640 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.406 flat angles P-C4'-P energy: -2.629 tors. eta vs tors. theta energy: -1.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 327 Temperature: 1.300000 Total energy: -27.725524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.725524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.725524 (E_RNA) where: Base-Base interactions energy: -11.699 where: short stacking energy: -11.699 Base-Backbone interact. energy: -0.009 local terms energy: -16.016979 where: bonds (distance) C4'-P energy: -3.387 bonds (distance) P-C4' energy: -1.237 flat angles C4'-P-C4' energy: -5.677 flat angles P-C4'-P energy: -4.072 tors. eta vs tors. theta energy: -1.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 327 Temperature: 1.350000 Total energy: -33.441789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.441789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.441789 (E_RNA) where: Base-Base interactions energy: -15.431 where: short stacking energy: -15.431 Base-Backbone interact. energy: -0.000 local terms energy: -18.010808 where: bonds (distance) C4'-P energy: -3.979 bonds (distance) P-C4' energy: -3.730 flat angles C4'-P-C4' energy: -4.112 flat angles P-C4'-P energy: -2.948 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: 1, replica: 7 ===================================== Write number: 328 Temperature: 0.900000 Total energy: -33.552733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.552733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.552733 (E_RNA) where: Base-Base interactions energy: -12.797 where: short stacking energy: -12.797 Base-Backbone interact. energy: -0.000 local terms energy: -20.756177 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.009 flat angles P-C4'-P energy: -1.967 tors. eta vs tors. theta energy: -3.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 328 Temperature: 0.950000 Total energy: -31.586403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.586403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.586403 (E_RNA) where: Base-Base interactions energy: -8.601 where: short stacking energy: -8.601 Base-Backbone interact. energy: -0.424 local terms energy: -22.561233 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -4.452 flat angles C4'-P-C4' energy: -4.976 flat angles P-C4'-P energy: -4.495 tors. eta vs tors. theta energy: -3.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 328 Temperature: 1.000000 Total energy: -28.513933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.513933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.513933 (E_RNA) where: Base-Base interactions energy: -6.937 where: short stacking energy: -6.937 Base-Backbone interact. energy: -0.001 local terms energy: -21.576201 where: bonds (distance) C4'-P energy: -2.853 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.279 flat angles P-C4'-P energy: -3.026 tors. eta vs tors. theta energy: -4.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 328 Temperature: 1.050000 Total energy: -31.346356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.346356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.346356 (E_RNA) where: Base-Base interactions energy: -11.273 where: short stacking energy: -11.273 Base-Backbone interact. energy: -0.000 local terms energy: -20.073813 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.231 flat angles P-C4'-P energy: -2.719 tors. eta vs tors. theta energy: -2.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 328 Temperature: 1.100000 Total energy: -27.718076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.718076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.718076 (E_RNA) where: Base-Base interactions energy: -8.192 where: short stacking energy: -8.192 Base-Backbone interact. energy: -0.001 local terms energy: -19.525317 where: bonds (distance) C4'-P energy: -4.057 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -4.600 flat angles P-C4'-P energy: -3.267 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: 5 ===================================== Write number: 328 Temperature: 1.150000 Total energy: -27.558191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.558191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.558191 (E_RNA) where: Base-Base interactions energy: -10.390 where: short stacking energy: -10.390 Base-Backbone interact. energy: -0.000 local terms energy: -17.167954 where: bonds (distance) C4'-P energy: -2.895 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -3.486 flat angles P-C4'-P energy: -3.704 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: 7, replica: 8 ===================================== Write number: 328 Temperature: 1.200000 Total energy: -25.978933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.978933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.978933 (E_RNA) where: Base-Base interactions energy: -6.953 where: short stacking energy: -6.953 Base-Backbone interact. energy: -0.000 local terms energy: -19.025594 where: bonds (distance) C4'-P energy: -4.335 bonds (distance) P-C4' energy: -4.678 flat angles C4'-P-C4' energy: -5.889 flat angles P-C4'-P energy: -3.134 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: 8, replica: 10 ===================================== Write number: 328 Temperature: 1.250000 Total energy: -25.004533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.004533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.004533 (E_RNA) where: Base-Base interactions energy: -9.821 where: short stacking energy: -9.821 Base-Backbone interact. energy: -0.001 local terms energy: -15.183068 where: bonds (distance) C4'-P energy: -3.756 bonds (distance) P-C4' energy: -4.019 flat angles C4'-P-C4' energy: -3.553 flat angles P-C4'-P energy: -1.276 tors. eta vs tors. theta energy: -2.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 328 Temperature: 1.300000 Total energy: -25.790884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.790884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.790884 (E_RNA) where: Base-Base interactions energy: -8.399 where: short stacking energy: -8.399 Base-Backbone interact. energy: -0.000 local terms energy: -17.391694 where: bonds (distance) C4'-P energy: -2.613 bonds (distance) P-C4' energy: -4.544 flat angles C4'-P-C4' energy: -4.798 flat angles P-C4'-P energy: -4.036 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: 10, replica: 3 ===================================== Write number: 328 Temperature: 1.350000 Total energy: -26.701808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.701808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.701808 (E_RNA) where: Base-Base interactions energy: -10.726 where: short stacking energy: -10.726 Base-Backbone interact. energy: -0.085 local terms energy: -15.890917 where: bonds (distance) C4'-P energy: -4.493 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -1.531 flat angles P-C4'-P energy: -2.715 tors. eta vs tors. theta energy: -1.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 329 Temperature: 0.900000 Total energy: -35.355479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.355479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.355479 (E_RNA) where: Base-Base interactions energy: -11.094 where: short stacking energy: -11.094 Base-Backbone interact. energy: -0.000 local terms energy: -24.261943 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -4.706 flat angles C4'-P-C4' energy: -5.245 flat angles P-C4'-P energy: -4.293 tors. eta vs tors. theta energy: -4.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 329 Temperature: 0.950000 Total energy: -29.529887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.529887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.529887 (E_RNA) where: Base-Base interactions energy: -8.893 where: short stacking energy: -8.893 Base-Backbone interact. energy: -0.000 local terms energy: -20.636671 where: bonds (distance) C4'-P energy: -4.637 bonds (distance) P-C4' energy: -5.473 flat angles C4'-P-C4' energy: -2.707 flat angles P-C4'-P energy: -4.457 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: 3, replica: 2 ===================================== Write number: 329 Temperature: 1.000000 Total energy: -30.211607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.211607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.211607 (E_RNA) where: Base-Base interactions energy: -7.765 where: short stacking energy: -7.765 Base-Backbone interact. energy: -0.085 local terms energy: -22.361701 where: bonds (distance) C4'-P energy: -5.498 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -5.554 flat angles P-C4'-P energy: -3.704 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: 4, replica: 1 ===================================== Write number: 329 Temperature: 1.050000 Total energy: -29.320997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.320997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.320997 (E_RNA) where: Base-Base interactions energy: -10.737 where: short stacking energy: -10.737 Base-Backbone interact. energy: -0.090 local terms energy: -18.493538 where: bonds (distance) C4'-P energy: -4.609 bonds (distance) P-C4' energy: -4.519 flat angles C4'-P-C4' energy: -5.152 flat angles P-C4'-P energy: -1.631 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: 9 ===================================== Write number: 329 Temperature: 1.100000 Total energy: -28.880570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.880570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.880570 (E_RNA) where: Base-Base interactions energy: -6.763 where: short stacking energy: -6.763 Base-Backbone interact. energy: -0.000 local terms energy: -22.117036 where: bonds (distance) C4'-P energy: -3.775 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.153 flat angles P-C4'-P energy: -3.173 tors. eta vs tors. theta energy: -3.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 329 Temperature: 1.150000 Total energy: -29.829722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.829722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.829722 (E_RNA) where: Base-Base interactions energy: -10.618 where: short stacking energy: -10.618 Base-Backbone interact. energy: -0.000 local terms energy: -19.211042 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -5.566 flat angles C4'-P-C4' energy: -4.278 flat angles P-C4'-P energy: -2.830 tors. eta vs tors. theta energy: -1.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 329 Temperature: 1.200000 Total energy: -23.344047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.344047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.344047 (E_RNA) where: Base-Base interactions energy: -6.596 where: short stacking energy: -6.596 Base-Backbone interact. energy: -0.349 local terms energy: -16.399273 where: bonds (distance) C4'-P energy: -2.923 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -5.138 flat angles P-C4'-P energy: -0.972 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: 8, replica: 6 ===================================== Write number: 329 Temperature: 1.250000 Total energy: -26.492596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.492596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.492596 (E_RNA) where: Base-Base interactions energy: -6.664 where: short stacking energy: -6.664 Base-Backbone interact. energy: -0.000 local terms energy: -19.828538 where: bonds (distance) C4'-P energy: -4.628 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -4.045 flat angles P-C4'-P energy: -3.991 tors. eta vs tors. theta energy: -2.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 329 Temperature: 1.300000 Total energy: -26.526103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.526103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.526103 (E_RNA) where: Base-Base interactions energy: -7.944 where: short stacking energy: -7.944 Base-Backbone interact. energy: -0.000 local terms energy: -18.581446 where: bonds (distance) C4'-P energy: -4.315 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.425 flat angles P-C4'-P energy: -3.085 tors. eta vs tors. theta energy: 0.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 329 Temperature: 1.350000 Total energy: -22.235520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.235520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.235520 (E_RNA) where: Base-Base interactions energy: -5.360 where: short stacking energy: -5.360 Base-Backbone interact. energy: -0.002 local terms energy: -16.873345 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -4.318 flat angles P-C4'-P energy: -3.280 tors. eta vs tors. theta energy: 0.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 330 Temperature: 0.900000 Total energy: -34.945457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.945457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.945457 (E_RNA) where: Base-Base interactions energy: -11.468 where: short stacking energy: -11.468 Base-Backbone interact. energy: -0.000 local terms energy: -23.477652 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.522 flat angles C4'-P-C4' energy: -5.586 flat angles P-C4'-P energy: -1.898 tors. eta vs tors. theta energy: -5.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 330 Temperature: 0.950000 Total energy: -38.297860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.297860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.297860 (E_RNA) where: Base-Base interactions energy: -15.566 where: short stacking energy: -15.566 Base-Backbone interact. energy: -0.003 local terms energy: -22.728898 where: bonds (distance) C4'-P energy: -4.981 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -4.852 flat angles P-C4'-P energy: -2.249 tors. eta vs tors. theta energy: -4.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 330 Temperature: 1.000000 Total energy: -34.740303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.740303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.740303 (E_RNA) where: Base-Base interactions energy: -14.903 where: short stacking energy: -14.903 Base-Backbone interact. energy: -0.001 local terms energy: -19.836509 where: bonds (distance) C4'-P energy: -2.737 bonds (distance) P-C4' energy: -5.040 flat angles C4'-P-C4' energy: -4.463 flat angles P-C4'-P energy: -2.110 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: 2 ===================================== Write number: 330 Temperature: 1.050000 Total energy: -29.885900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.885900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.885900 (E_RNA) where: Base-Base interactions energy: -8.503 where: short stacking energy: -8.503 Base-Backbone interact. energy: -0.000 local terms energy: -21.382739 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.724 flat angles C4'-P-C4' energy: -4.104 flat angles P-C4'-P energy: -3.156 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: 5, replica: 8 ===================================== Write number: 330 Temperature: 1.100000 Total energy: -27.170292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.170292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.170292 (E_RNA) where: Base-Base interactions energy: -7.791 where: short stacking energy: -7.793 Base-Backbone interact. energy: -0.029 local terms energy: -19.350126 where: bonds (distance) C4'-P energy: -3.404 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -5.556 flat angles P-C4'-P energy: -2.844 tors. eta vs tors. theta energy: -1.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 330 Temperature: 1.150000 Total energy: -28.152326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.152326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.152326 (E_RNA) where: Base-Base interactions energy: -6.716 where: short stacking energy: -6.716 Base-Backbone interact. energy: -0.000 local terms energy: -21.436748 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.517 flat angles P-C4'-P energy: -1.432 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: 7, replica: 6 ===================================== Write number: 330 Temperature: 1.200000 Total energy: -26.832666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.832666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.832666 (E_RNA) where: Base-Base interactions energy: -7.907 where: short stacking energy: -7.907 Base-Backbone interact. energy: -0.066 local terms energy: -18.859709 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.298 flat angles C4'-P-C4' energy: -4.361 flat angles P-C4'-P energy: -3.088 tors. eta vs tors. theta energy: -1.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 330 Temperature: 1.250000 Total energy: -31.628066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.628066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.628066 (E_RNA) where: Base-Base interactions energy: -10.250 where: short stacking energy: -10.250 Base-Backbone interact. energy: -0.000 local terms energy: -21.378128 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -3.315 flat angles P-C4'-P energy: -4.257 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: 9, replica: 3 ===================================== Write number: 330 Temperature: 1.300000 Total energy: -25.984094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.984094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.984094 (E_RNA) where: Base-Base interactions energy: -7.558 where: short stacking energy: -7.558 Base-Backbone interact. energy: -0.043 local terms energy: -18.382274 where: bonds (distance) C4'-P energy: -3.313 bonds (distance) P-C4' energy: -4.621 flat angles C4'-P-C4' energy: -5.122 flat angles P-C4'-P energy: -3.018 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: 10, replica: 10 ===================================== Write number: 330 Temperature: 1.350000 Total energy: -23.137604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.137604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.137604 (E_RNA) where: Base-Base interactions energy: -7.335 where: short stacking energy: -7.335 Base-Backbone interact. energy: -0.061 local terms energy: -15.740950 where: bonds (distance) C4'-P energy: -2.878 bonds (distance) P-C4' energy: -4.706 flat angles C4'-P-C4' energy: -4.631 flat angles P-C4'-P energy: -3.190 tors. eta vs tors. theta energy: -0.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 331 Temperature: 0.900000 Total energy: -34.482219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.482219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.482219 (E_RNA) where: Base-Base interactions energy: -13.051 where: short stacking energy: -13.051 Base-Backbone interact. energy: -0.001 local terms energy: -21.431068 where: bonds (distance) C4'-P energy: -4.529 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -5.451 flat angles P-C4'-P energy: -3.475 tors. eta vs tors. theta energy: -2.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 331 Temperature: 0.950000 Total energy: -33.042172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.042172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.042172 (E_RNA) where: Base-Base interactions energy: -12.231 where: short stacking energy: -12.231 Base-Backbone interact. energy: -0.079 local terms energy: -20.732364 where: bonds (distance) C4'-P energy: -4.687 bonds (distance) P-C4' energy: -4.780 flat angles C4'-P-C4' energy: -5.608 flat angles P-C4'-P energy: -2.239 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: 3, replica: 7 ===================================== Write number: 331 Temperature: 1.000000 Total energy: -31.209788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.209788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.209788 (E_RNA) where: Base-Base interactions energy: -10.663 where: short stacking energy: -10.663 Base-Backbone interact. energy: -0.012 local terms energy: -20.535154 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -3.592 flat angles P-C4'-P energy: -4.336 tors. eta vs tors. theta energy: -1.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 331 Temperature: 1.050000 Total energy: -28.969120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.969120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.969120 (E_RNA) where: Base-Base interactions energy: -9.010 where: short stacking energy: -9.010 Base-Backbone interact. energy: -0.002 local terms energy: -19.957304 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.418 flat angles P-C4'-P energy: -3.634 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: 5, replica: 2 ===================================== Write number: 331 Temperature: 1.100000 Total energy: -30.558455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.558455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.558455 (E_RNA) where: Base-Base interactions energy: -11.561 where: short stacking energy: -11.561 Base-Backbone interact. energy: -0.000 local terms energy: -18.997093 where: bonds (distance) C4'-P energy: -4.529 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -3.784 flat angles P-C4'-P energy: -0.565 tors. eta vs tors. theta energy: -4.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 331 Temperature: 1.150000 Total energy: -24.956171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.956171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.956171 (E_RNA) where: Base-Base interactions energy: -7.830 where: short stacking energy: -7.930 Base-Backbone interact. energy: -0.015 local terms energy: -17.111123 where: bonds (distance) C4'-P energy: -4.235 bonds (distance) P-C4' energy: -5.308 flat angles C4'-P-C4' energy: -4.662 flat angles P-C4'-P energy: -2.407 tors. eta vs tors. theta energy: -0.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 331 Temperature: 1.200000 Total energy: -30.137977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.137977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.137977 (E_RNA) where: Base-Base interactions energy: -10.665 where: short stacking energy: -10.665 Base-Backbone interact. energy: -0.001 local terms energy: -19.472509 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -3.997 flat angles C4'-P-C4' energy: -3.057 flat angles P-C4'-P energy: -4.072 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: 8, replica: 3 ===================================== Write number: 331 Temperature: 1.250000 Total energy: -28.536545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.536545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.536545 (E_RNA) where: Base-Base interactions energy: -11.949 where: short stacking energy: -11.949 Base-Backbone interact. energy: -0.099 local terms energy: -16.487662 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -1.624 flat angles C4'-P-C4' energy: -4.003 flat angles P-C4'-P energy: -4.674 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: 9, replica: 5 ===================================== Write number: 331 Temperature: 1.300000 Total energy: -29.536961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.536961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.536961 (E_RNA) where: Base-Base interactions energy: -7.923 where: short stacking energy: -7.923 Base-Backbone interact. energy: -0.000 local terms energy: -21.613929 where: bonds (distance) C4'-P energy: -5.188 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -5.448 flat angles P-C4'-P energy: -1.891 tors. eta vs tors. theta energy: -3.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 331 Temperature: 1.350000 Total energy: -23.077484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.077484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.077484 (E_RNA) where: Base-Base interactions energy: -8.093 where: short stacking energy: -4.112 Base-Backbone interact. energy: -0.072 local terms energy: -14.913084 where: bonds (distance) C4'-P energy: -4.253 bonds (distance) P-C4' energy: -4.470 flat angles C4'-P-C4' energy: -4.599 flat angles P-C4'-P energy: -3.671 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: 1, replica: 1 ===================================== Write number: 332 Temperature: 0.900000 Total energy: -36.796547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.796547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.796547 (E_RNA) where: Base-Base interactions energy: -14.494 where: short stacking energy: -14.494 Base-Backbone interact. energy: -0.000 local terms energy: -22.302273 where: bonds (distance) C4'-P energy: -4.679 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.887 flat angles P-C4'-P energy: -3.022 tors. eta vs tors. theta energy: -3.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 332 Temperature: 0.950000 Total energy: -37.508894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.508894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.508894 (E_RNA) where: Base-Base interactions energy: -17.104 where: short stacking energy: -17.104 Base-Backbone interact. energy: -0.001 local terms energy: -20.404267 where: bonds (distance) C4'-P energy: -2.832 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.816 flat angles P-C4'-P energy: -2.255 tors. eta vs tors. theta energy: -4.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 332 Temperature: 1.000000 Total energy: -32.577056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.577056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.577056 (E_RNA) where: Base-Base interactions energy: -12.435 where: short stacking energy: -12.435 Base-Backbone interact. energy: -0.000 local terms energy: -20.141684 where: bonds (distance) C4'-P energy: -4.315 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -3.541 flat angles P-C4'-P energy: -4.181 tors. eta vs tors. theta energy: -2.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 332 Temperature: 1.050000 Total energy: -31.701995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.701995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.701995 (E_RNA) where: Base-Base interactions energy: -11.971 where: short stacking energy: -11.971 Base-Backbone interact. energy: -0.000 local terms energy: -19.731094 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -4.318 flat angles C4'-P-C4' energy: -4.111 flat angles P-C4'-P energy: -3.386 tors. eta vs tors. theta energy: -2.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 332 Temperature: 1.100000 Total energy: -26.571350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.571350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.571350 (E_RNA) where: Base-Base interactions energy: -7.108 where: short stacking energy: -7.108 Base-Backbone interact. energy: -0.018 local terms energy: -19.445044 where: bonds (distance) C4'-P energy: -2.331 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -5.240 flat angles P-C4'-P energy: -4.370 tors. eta vs tors. theta energy: -1.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 332 Temperature: 1.150000 Total energy: -26.193115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.193115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.193115 (E_RNA) where: Base-Base interactions energy: -5.509 where: short stacking energy: -5.509 Base-Backbone interact. energy: -0.000 local terms energy: -20.684349 where: bonds (distance) C4'-P energy: -4.628 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -4.099 flat angles P-C4'-P energy: -3.530 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: 6 ===================================== Write number: 332 Temperature: 1.200000 Total energy: -26.134841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.134841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.134841 (E_RNA) where: Base-Base interactions energy: -6.685 where: short stacking energy: -6.685 Base-Backbone interact. energy: -0.001 local terms energy: -19.449220 where: bonds (distance) C4'-P energy: -4.645 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -5.357 flat angles P-C4'-P energy: -3.289 tors. eta vs tors. theta energy: -0.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 332 Temperature: 1.250000 Total energy: -30.900742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.900742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.900742 (E_RNA) where: Base-Base interactions energy: -9.762 where: short stacking energy: -9.762 Base-Backbone interact. energy: -0.000 local terms energy: -21.138705 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -3.836 flat angles P-C4'-P energy: -2.198 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: 10 ===================================== Write number: 332 Temperature: 1.300000 Total energy: -26.503735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.503735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.503735 (E_RNA) where: Base-Base interactions energy: -7.964 where: short stacking energy: -7.964 Base-Backbone interact. energy: -0.000 local terms energy: -18.539559 where: bonds (distance) C4'-P energy: -2.832 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -4.650 flat angles P-C4'-P energy: -3.373 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: 10, replica: 5 ===================================== Write number: 332 Temperature: 1.350000 Total energy: -27.013215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.013215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.013215 (E_RNA) where: Base-Base interactions energy: -7.039 where: short stacking energy: -7.039 Base-Backbone interact. energy: -0.026 local terms energy: -19.947874 where: bonds (distance) C4'-P energy: -4.049 bonds (distance) P-C4' energy: -4.606 flat angles C4'-P-C4' energy: -5.887 flat angles P-C4'-P energy: -4.359 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: 1 ===================================== Write number: 333 Temperature: 0.900000 Total energy: -34.968250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.968250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.968250 (E_RNA) where: Base-Base interactions energy: -12.812 where: short stacking energy: -12.812 Base-Backbone interact. energy: -0.002 local terms energy: -22.154253 where: bonds (distance) C4'-P energy: -4.609 bonds (distance) P-C4' energy: -5.298 flat angles C4'-P-C4' energy: -5.572 flat angles P-C4'-P energy: -4.080 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: 2, replica: 8 ===================================== Write number: 333 Temperature: 0.950000 Total energy: -38.265885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.265885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.265885 (E_RNA) where: Base-Base interactions energy: -14.959 where: short stacking energy: -14.959 Base-Backbone interact. energy: -0.000 local terms energy: -23.307021 where: bonds (distance) C4'-P energy: -4.911 bonds (distance) P-C4' energy: -5.072 flat angles C4'-P-C4' energy: -4.393 flat angles P-C4'-P energy: -4.312 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: 4 ===================================== Write number: 333 Temperature: 1.000000 Total energy: -36.963614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.963614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.963614 (E_RNA) where: Base-Base interactions energy: -16.804 where: short stacking energy: -16.804 Base-Backbone interact. energy: -0.000 local terms energy: -20.159333 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.065 flat angles C4'-P-C4' energy: -3.241 flat angles P-C4'-P energy: -2.779 tors. eta vs tors. theta energy: -3.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 333 Temperature: 1.050000 Total energy: -32.537146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.537146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.537146 (E_RNA) where: Base-Base interactions energy: -11.491 where: short stacking energy: -11.491 Base-Backbone interact. energy: -0.000 local terms energy: -21.046077 where: bonds (distance) C4'-P energy: -4.173 bonds (distance) P-C4' energy: -4.621 flat angles C4'-P-C4' energy: -5.591 flat angles P-C4'-P energy: -4.273 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: 7 ===================================== Write number: 333 Temperature: 1.100000 Total energy: -34.809926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.809926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.809926 (E_RNA) where: Base-Base interactions energy: -13.379 where: short stacking energy: -13.379 Base-Backbone interact. energy: -0.000 local terms energy: -21.430930 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -4.445 flat angles C4'-P-C4' energy: -4.734 flat angles P-C4'-P energy: -3.627 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: 2 ===================================== Write number: 333 Temperature: 1.150000 Total energy: -30.552058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.552058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.552058 (E_RNA) where: Base-Base interactions energy: -10.604 where: short stacking energy: -10.604 Base-Backbone interact. energy: -0.004 local terms energy: -19.943498 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -5.230 flat angles P-C4'-P energy: -2.323 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: 7, replica: 6 ===================================== Write number: 333 Temperature: 1.200000 Total energy: -28.334523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.334523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.334523 (E_RNA) where: Base-Base interactions energy: -7.254 where: short stacking energy: -7.254 Base-Backbone interact. energy: -0.000 local terms energy: -21.080296 where: bonds (distance) C4'-P energy: -3.516 bonds (distance) P-C4' energy: -4.942 flat angles C4'-P-C4' energy: -5.501 flat angles P-C4'-P energy: -1.999 tors. eta vs tors. theta energy: -5.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 333 Temperature: 1.250000 Total energy: -23.802821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.802821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.802821 (E_RNA) where: Base-Base interactions energy: -4.317 where: short stacking energy: -4.317 Base-Backbone interact. energy: -0.037 local terms energy: -19.448757 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -4.501 flat angles P-C4'-P energy: -4.034 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: 9, replica: 3 ===================================== Write number: 333 Temperature: 1.300000 Total energy: -30.744089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.744089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.744089 (E_RNA) where: Base-Base interactions energy: -10.704 where: short stacking energy: -10.704 Base-Backbone interact. energy: -0.044 local terms energy: -19.995932 where: bonds (distance) C4'-P energy: -4.513 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -5.271 flat angles P-C4'-P energy: -2.983 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: 10, replica: 5 ===================================== Write number: 333 Temperature: 1.350000 Total energy: -28.455471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.455471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.455471 (E_RNA) where: Base-Base interactions energy: -10.108 where: short stacking energy: -10.108 Base-Backbone interact. energy: -0.008 local terms energy: -18.339230 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -3.768 flat angles C4'-P-C4' energy: -5.230 flat angles P-C4'-P energy: -0.742 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: 1, replica: 8 ===================================== Write number: 334 Temperature: 0.900000 Total energy: -38.243561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.243561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.243561 (E_RNA) where: Base-Base interactions energy: -14.462 where: short stacking energy: -14.462 Base-Backbone interact. energy: -0.000 local terms energy: -23.781330 where: bonds (distance) C4'-P energy: -4.778 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.793 flat angles P-C4'-P energy: -3.372 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: 1 ===================================== Write number: 334 Temperature: 0.950000 Total energy: -33.789941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.789941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.789941 (E_RNA) where: Base-Base interactions energy: -10.674 where: short stacking energy: -10.674 Base-Backbone interact. energy: -0.025 local terms energy: -23.090448 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -5.286 flat angles C4'-P-C4' energy: -4.920 flat angles P-C4'-P energy: -3.691 tors. eta vs tors. theta energy: -3.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 334 Temperature: 1.000000 Total energy: -34.430623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.430623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.430623 (E_RNA) where: Base-Base interactions energy: -10.719 where: short stacking energy: -10.719 Base-Backbone interact. energy: -0.000 local terms energy: -23.711673 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -3.267 flat angles P-C4'-P energy: -4.158 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: 334 Temperature: 1.050000 Total energy: -30.825871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.825871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.825871 (E_RNA) where: Base-Base interactions energy: -9.226 where: short stacking energy: -9.226 Base-Backbone interact. energy: -0.094 local terms energy: -21.506099 where: bonds (distance) C4'-P energy: -5.242 bonds (distance) P-C4' energy: -4.860 flat angles C4'-P-C4' energy: -5.119 flat angles P-C4'-P energy: -3.433 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: 334 Temperature: 1.100000 Total energy: -28.679625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.679625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.679625 (E_RNA) where: Base-Base interactions energy: -8.880 where: short stacking energy: -8.880 Base-Backbone interact. energy: -0.000 local terms energy: -19.799346 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -4.875 flat angles C4'-P-C4' energy: -4.218 flat angles P-C4'-P energy: -2.409 tors. eta vs tors. theta energy: -2.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 334 Temperature: 1.150000 Total energy: -29.101293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.101293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.101293 (E_RNA) where: Base-Base interactions energy: -10.831 where: short stacking energy: -10.831 Base-Backbone interact. energy: -0.002 local terms energy: -18.268939 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -4.994 flat angles C4'-P-C4' energy: -4.893 flat angles P-C4'-P energy: -3.018 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: 7, replica: 10 ===================================== Write number: 334 Temperature: 1.200000 Total energy: -25.707434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.707434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.707434 (E_RNA) where: Base-Base interactions energy: -7.006 where: short stacking energy: -7.006 Base-Backbone interact. energy: -0.060 local terms energy: -18.641810 where: bonds (distance) C4'-P energy: -2.372 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -4.390 flat angles P-C4'-P energy: -3.501 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: 8, replica: 6 ===================================== Write number: 334 Temperature: 1.250000 Total energy: -26.084135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.084135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.084135 (E_RNA) where: Base-Base interactions energy: -6.957 where: short stacking energy: -6.957 Base-Backbone interact. energy: -0.041 local terms energy: -19.086014 where: bonds (distance) C4'-P energy: -4.057 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -4.767 flat angles P-C4'-P energy: -3.925 tors. eta vs tors. theta energy: -0.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 334 Temperature: 1.300000 Total energy: -26.099450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.099450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.099450 (E_RNA) where: Base-Base interactions energy: -6.019 where: short stacking energy: -6.019 Base-Backbone interact. energy: -0.031 local terms energy: -20.049172 where: bonds (distance) C4'-P energy: -3.480 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.960 flat angles P-C4'-P energy: -3.619 tors. eta vs tors. theta energy: -1.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 334 Temperature: 1.350000 Total energy: -27.750370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.750370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.750370 (E_RNA) where: Base-Base interactions energy: -8.826 where: short stacking energy: -8.826 Base-Backbone interact. energy: -0.000 local terms energy: -18.923841 where: bonds (distance) C4'-P energy: -3.900 bonds (distance) P-C4' energy: -5.234 flat angles C4'-P-C4' energy: -3.598 flat angles P-C4'-P energy: -3.690 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: 1, replica: 8 ===================================== Write number: 335 Temperature: 0.900000 Total energy: -33.644863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.644863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.644863 (E_RNA) where: Base-Base interactions energy: -10.984 where: short stacking energy: -10.984 Base-Backbone interact. energy: -0.000 local terms energy: -22.660518 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -5.401 flat angles P-C4'-P energy: -2.062 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: 2, replica: 9 ===================================== Write number: 335 Temperature: 0.950000 Total energy: -30.326284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.326284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.326284 (E_RNA) where: Base-Base interactions energy: -11.516 where: short stacking energy: -11.556 Base-Backbone interact. energy: -1.202 local terms energy: -17.608022 where: bonds (distance) C4'-P energy: -4.485 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -4.980 flat angles P-C4'-P energy: -2.180 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: 3, replica: 1 ===================================== Write number: 335 Temperature: 1.000000 Total energy: -25.866690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.866690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.866690 (E_RNA) where: Base-Base interactions energy: -4.698 where: short stacking energy: -4.698 Base-Backbone interact. energy: -0.158 local terms energy: -21.010692 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.802 flat angles P-C4'-P energy: -2.622 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: 4, replica: 7 ===================================== Write number: 335 Temperature: 1.050000 Total energy: -28.083153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.083153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.083153 (E_RNA) where: Base-Base interactions energy: -8.874 where: short stacking energy: -8.874 Base-Backbone interact. energy: -0.320 local terms energy: -18.888907 where: bonds (distance) C4'-P energy: -3.925 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.439 flat angles P-C4'-P energy: -4.408 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: 5, replica: 4 ===================================== Write number: 335 Temperature: 1.100000 Total energy: -32.622433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.622433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.622433 (E_RNA) where: Base-Base interactions energy: -11.814 where: short stacking energy: -11.814 Base-Backbone interact. energy: -0.000 local terms energy: -20.808289 where: bonds (distance) C4'-P energy: -3.296 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.448 flat angles P-C4'-P energy: -3.995 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: 6, replica: 10 ===================================== Write number: 335 Temperature: 1.150000 Total energy: -25.572624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.572624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.572624 (E_RNA) where: Base-Base interactions energy: -6.144 where: short stacking energy: -6.144 Base-Backbone interact. energy: -0.002 local terms energy: -19.426642 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -4.252 flat angles C4'-P-C4' energy: -3.498 flat angles P-C4'-P energy: -2.991 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: 7, replica: 2 ===================================== Write number: 335 Temperature: 1.200000 Total energy: -25.290971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.290971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.290971 (E_RNA) where: Base-Base interactions energy: -6.543 where: short stacking energy: -6.543 Base-Backbone interact. energy: -0.001 local terms energy: -18.747350 where: bonds (distance) C4'-P energy: -4.529 bonds (distance) P-C4' energy: -5.759 flat angles C4'-P-C4' energy: -3.655 flat angles P-C4'-P energy: -2.826 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: 8, replica: 5 ===================================== Write number: 335 Temperature: 1.250000 Total energy: -29.026344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.026344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.026344 (E_RNA) where: Base-Base interactions energy: -11.155 where: short stacking energy: -11.155 Base-Backbone interact. energy: -0.000 local terms energy: -17.871297 where: bonds (distance) C4'-P energy: -2.273 bonds (distance) P-C4' energy: -5.333 flat angles C4'-P-C4' energy: -4.977 flat angles P-C4'-P energy: -2.094 tors. eta vs tors. theta energy: -3.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 335 Temperature: 1.300000 Total energy: -25.193356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.193356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.193356 (E_RNA) where: Base-Base interactions energy: -6.231 where: short stacking energy: -6.231 Base-Backbone interact. energy: -0.000 local terms energy: -18.962098 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -4.018 flat angles P-C4'-P energy: -3.147 tors. eta vs tors. theta energy: -1.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 335 Temperature: 1.350000 Total energy: -23.350307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.350307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.350307 (E_RNA) where: Base-Base interactions energy: -7.973 where: short stacking energy: -7.973 Base-Backbone interact. energy: -0.005 local terms energy: -15.372414 where: bonds (distance) C4'-P energy: -1.884 bonds (distance) P-C4' energy: -4.614 flat angles C4'-P-C4' energy: -5.310 flat angles P-C4'-P energy: -3.792 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: 1, replica: 9 ===================================== Write number: 336 Temperature: 0.900000 Total energy: -40.319156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.319156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.319156 (E_RNA) where: Base-Base interactions energy: -15.659 where: short stacking energy: -15.659 Base-Backbone interact. energy: -0.000 local terms energy: -24.660194 where: bonds (distance) C4'-P energy: -4.413 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -5.579 flat angles P-C4'-P energy: -4.664 tors. eta vs tors. theta energy: -4.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 336 Temperature: 0.950000 Total energy: -34.397724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.397724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.397724 (E_RNA) where: Base-Base interactions energy: -12.224 where: short stacking energy: -12.224 Base-Backbone interact. energy: -0.021 local terms energy: -22.152304 where: bonds (distance) C4'-P energy: -4.795 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -4.604 flat angles P-C4'-P energy: -3.826 tors. eta vs tors. theta energy: -2.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 336 Temperature: 1.000000 Total energy: -28.866794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.866794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.866794 (E_RNA) where: Base-Base interactions energy: -11.004 where: short stacking energy: -7.541 Base-Backbone interact. energy: -0.088 local terms energy: -17.774713 where: bonds (distance) C4'-P energy: -3.839 bonds (distance) P-C4' energy: -4.252 flat angles C4'-P-C4' energy: -5.764 flat angles P-C4'-P energy: -4.024 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: 4, replica: 1 ===================================== Write number: 336 Temperature: 1.050000 Total energy: -31.069762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.069762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.069762 (E_RNA) where: Base-Base interactions energy: -13.896 where: short stacking energy: -13.896 Base-Backbone interact. energy: -0.005 local terms energy: -17.168156 where: bonds (distance) C4'-P energy: -4.725 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -2.918 flat angles P-C4'-P energy: -1.225 tors. eta vs tors. theta energy: -3.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 336 Temperature: 1.100000 Total energy: -35.185861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.185861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.185861 (E_RNA) where: Base-Base interactions energy: -16.975 where: short stacking energy: -16.975 Base-Backbone interact. energy: -0.000 local terms energy: -18.210626 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -3.949 flat angles C4'-P-C4' energy: -3.515 flat angles P-C4'-P energy: -2.651 tors. eta vs tors. theta energy: -3.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 336 Temperature: 1.150000 Total energy: -35.326305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.326305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.326305 (E_RNA) where: Base-Base interactions energy: -15.293 where: short stacking energy: -15.293 Base-Backbone interact. energy: -0.000 local terms energy: -20.033281 where: bonds (distance) C4'-P energy: -3.251 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -5.122 flat angles P-C4'-P energy: -4.605 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: 7, replica: 5 ===================================== Write number: 336 Temperature: 1.200000 Total energy: -26.685659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.685659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.685659 (E_RNA) where: Base-Base interactions energy: -8.220 where: short stacking energy: -8.220 Base-Backbone interact. energy: -0.000 local terms energy: -18.465694 where: bonds (distance) C4'-P energy: -2.695 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.627 flat angles P-C4'-P energy: -1.924 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: 2 ===================================== Write number: 336 Temperature: 1.250000 Total energy: -23.796363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.796363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.796363 (E_RNA) where: Base-Base interactions energy: -7.186 where: short stacking energy: -7.186 Base-Backbone interact. energy: -0.000 local terms energy: -16.610564 where: bonds (distance) C4'-P energy: -4.628 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -4.861 flat angles P-C4'-P energy: -0.505 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: 336 Temperature: 1.300000 Total energy: -23.341205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.341205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.341205 (E_RNA) where: Base-Base interactions energy: -5.426 where: short stacking energy: -5.426 Base-Backbone interact. energy: -0.250 local terms energy: -17.665401 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -3.605 flat angles P-C4'-P energy: -2.705 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: 6 ===================================== Write number: 336 Temperature: 1.350000 Total energy: -26.837538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.837538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.837538 (E_RNA) where: Base-Base interactions energy: -6.752 where: short stacking energy: -6.852 Base-Backbone interact. energy: -0.094 local terms energy: -19.991226 where: bonds (distance) C4'-P energy: -4.563 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -4.730 flat angles P-C4'-P energy: -2.290 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: 1, replica: 9 ===================================== Write number: 337 Temperature: 0.900000 Total energy: -28.395687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.395687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.395687 (E_RNA) where: Base-Base interactions energy: -7.762 where: short stacking energy: -7.762 Base-Backbone interact. energy: -0.012 local terms energy: -20.621416 where: bonds (distance) C4'-P energy: -5.275 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -5.011 flat angles P-C4'-P energy: -4.258 tors. eta vs tors. theta energy: -0.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 337 Temperature: 0.950000 Total energy: -39.287657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.287657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.287657 (E_RNA) where: Base-Base interactions energy: -17.236 where: short stacking energy: -17.236 Base-Backbone interact. energy: -0.000 local terms energy: -22.051813 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -4.860 flat angles C4'-P-C4' energy: -5.040 flat angles P-C4'-P energy: -1.786 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: 3, replica: 8 ===================================== Write number: 337 Temperature: 1.000000 Total energy: -32.098701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.098701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.098701 (E_RNA) where: Base-Base interactions energy: -11.337 where: short stacking energy: -11.337 Base-Backbone interact. energy: -0.024 local terms energy: -20.738050 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.566 flat angles C4'-P-C4' energy: -3.593 flat angles P-C4'-P energy: -4.068 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: 4, replica: 4 ===================================== Write number: 337 Temperature: 1.050000 Total energy: -30.856324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.856324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.856324 (E_RNA) where: Base-Base interactions energy: -10.621 where: short stacking energy: -10.621 Base-Backbone interact. energy: -0.088 local terms energy: -20.148067 where: bonds (distance) C4'-P energy: -4.529 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.098 flat angles P-C4'-P energy: -3.204 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: 5, replica: 1 ===================================== Write number: 337 Temperature: 1.100000 Total energy: -27.153464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.153464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.153464 (E_RNA) where: Base-Base interactions energy: -8.610 where: short stacking energy: -8.610 Base-Backbone interact. energy: -0.100 local terms energy: -18.443468 where: bonds (distance) C4'-P energy: -4.513 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.397 flat angles P-C4'-P energy: -0.512 tors. eta vs tors. theta energy: -2.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 337 Temperature: 1.150000 Total energy: -30.127463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.127463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.127463 (E_RNA) where: Base-Base interactions energy: -11.032 where: short stacking energy: -11.032 Base-Backbone interact. energy: -0.000 local terms energy: -19.095257 where: bonds (distance) C4'-P energy: -4.049 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -5.398 flat angles P-C4'-P energy: -2.946 tors. eta vs tors. theta energy: -1.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 337 Temperature: 1.200000 Total energy: -30.315855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.315855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.315855 (E_RNA) where: Base-Base interactions energy: -10.330 where: short stacking energy: -10.330 Base-Backbone interact. energy: -0.099 local terms energy: -19.887053 where: bonds (distance) C4'-P energy: -1.264 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.244 flat angles P-C4'-P energy: -3.058 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: 8, replica: 3 ===================================== Write number: 337 Temperature: 1.250000 Total energy: -23.000897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.000897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.000897 (E_RNA) where: Base-Base interactions energy: -6.046 where: short stacking energy: -6.046 Base-Backbone interact. energy: -0.085 local terms energy: -16.870400 where: bonds (distance) C4'-P energy: -4.103 bonds (distance) P-C4' energy: -4.188 flat angles C4'-P-C4' energy: -5.005 flat angles P-C4'-P energy: -3.013 tors. eta vs tors. theta energy: -0.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 337 Temperature: 1.300000 Total energy: -23.977576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.977576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.977576 (E_RNA) where: Base-Base interactions energy: -8.877 where: short stacking energy: -8.877 Base-Backbone interact. energy: -0.040 local terms energy: -15.060098 where: bonds (distance) C4'-P energy: -4.555 bonds (distance) P-C4' energy: -5.463 flat angles C4'-P-C4' energy: -4.020 flat angles P-C4'-P energy: -1.881 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: 10, replica: 6 ===================================== Write number: 337 Temperature: 1.350000 Total energy: -25.403024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.403024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.403024 (E_RNA) where: Base-Base interactions energy: -8.053 where: short stacking energy: -8.053 Base-Backbone interact. energy: -0.002 local terms energy: -17.348131 where: bonds (distance) C4'-P energy: -1.909 bonds (distance) P-C4' energy: -5.065 flat angles C4'-P-C4' energy: -5.130 flat angles P-C4'-P energy: -2.157 tors. eta vs tors. theta energy: -3.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 338 Temperature: 0.900000 Total energy: -33.850477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.850477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.850477 (E_RNA) where: Base-Base interactions energy: -11.535 where: short stacking energy: -11.535 Base-Backbone interact. energy: -0.019 local terms energy: -22.296887 where: bonds (distance) C4'-P energy: -4.679 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -4.818 flat angles P-C4'-P energy: -3.999 tors. eta vs tors. theta energy: -3.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 338 Temperature: 0.950000 Total energy: -34.463037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.463037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.463037 (E_RNA) where: Base-Base interactions energy: -11.694 where: short stacking energy: -11.694 Base-Backbone interact. energy: -0.009 local terms energy: -22.760327 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -5.026 flat angles P-C4'-P energy: -3.366 tors. eta vs tors. theta energy: -4.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 338 Temperature: 1.000000 Total energy: -29.848058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.848058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.848058 (E_RNA) where: Base-Base interactions energy: -11.729 where: short stacking energy: -11.729 Base-Backbone interact. energy: -0.003 local terms energy: -18.116001 where: bonds (distance) C4'-P energy: -4.049 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.101 flat angles P-C4'-P energy: -1.248 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: 4, replica: 8 ===================================== Write number: 338 Temperature: 1.050000 Total energy: -30.542981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.542981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.542981 (E_RNA) where: Base-Base interactions energy: -10.971 where: short stacking energy: -10.971 Base-Backbone interact. energy: -0.000 local terms energy: -19.572038 where: bonds (distance) C4'-P energy: -5.018 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.848 flat angles P-C4'-P energy: -1.742 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: 5, replica: 5 ===================================== Write number: 338 Temperature: 1.100000 Total energy: -34.614041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.614041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.614041 (E_RNA) where: Base-Base interactions energy: -12.877 where: short stacking energy: -12.877 Base-Backbone interact. energy: -0.000 local terms energy: -21.737125 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -4.406 flat angles C4'-P-C4' energy: -4.219 flat angles P-C4'-P energy: -4.123 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: 6, replica: 1 ===================================== Write number: 338 Temperature: 1.150000 Total energy: -29.088313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.088313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.088313 (E_RNA) where: Base-Base interactions energy: -10.504 where: short stacking energy: -10.504 Base-Backbone interact. energy: -0.000 local terms energy: -18.584301 where: bonds (distance) C4'-P energy: -5.089 bonds (distance) P-C4' energy: -5.494 flat angles C4'-P-C4' energy: -5.045 flat angles P-C4'-P energy: -2.121 tors. eta vs tors. theta energy: -0.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 338 Temperature: 1.200000 Total energy: -26.555987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.555987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.555987 (E_RNA) where: Base-Base interactions energy: -10.861 where: short stacking energy: -10.861 Base-Backbone interact. energy: -0.017 local terms energy: -15.678394 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -4.473 flat angles C4'-P-C4' energy: -4.005 flat angles P-C4'-P energy: -1.514 tors. eta vs tors. theta energy: -1.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 338 Temperature: 1.250000 Total energy: -25.604770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.604770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.604770 (E_RNA) where: Base-Base interactions energy: -9.035 where: short stacking energy: -9.035 Base-Backbone interact. energy: -0.010 local terms energy: -16.560150 where: bonds (distance) C4'-P energy: -4.600 bonds (distance) P-C4' energy: -5.494 flat angles C4'-P-C4' energy: -4.292 flat angles P-C4'-P energy: -1.962 tors. eta vs tors. theta energy: -0.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 338 Temperature: 1.300000 Total energy: -26.781142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.781142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.781142 (E_RNA) where: Base-Base interactions energy: -7.522 where: short stacking energy: -7.522 Base-Backbone interact. energy: -0.000 local terms energy: -19.258746 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -4.473 flat angles C4'-P-C4' energy: -4.287 flat angles P-C4'-P energy: -0.991 tors. eta vs tors. theta energy: -4.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 338 Temperature: 1.350000 Total energy: -24.740225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.740225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.740225 (E_RNA) where: Base-Base interactions energy: -7.173 where: short stacking energy: -7.173 Base-Backbone interact. energy: -0.064 local terms energy: -17.503295 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -4.005 flat angles P-C4'-P energy: -4.410 tors. eta vs tors. theta energy: 1.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 339 Temperature: 0.900000 Total energy: -39.826601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.826601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.826601 (E_RNA) where: Base-Base interactions energy: -15.256 where: short stacking energy: -15.256 Base-Backbone interact. energy: -0.000 local terms energy: -24.570836 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -4.753 flat angles P-C4'-P energy: -3.961 tors. eta vs tors. theta energy: -5.044 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: 4 ===================================== Write number: 339 Temperature: 0.950000 Total energy: -38.495330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.495330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.495330 (E_RNA) where: Base-Base interactions energy: -15.574 where: short stacking energy: -15.574 Base-Backbone interact. energy: -0.051 local terms energy: -22.869559 where: bonds (distance) C4'-P energy: -4.405 bonds (distance) P-C4' energy: -5.075 flat angles C4'-P-C4' energy: -5.170 flat angles P-C4'-P energy: -3.696 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: 3, replica: 9 ===================================== Write number: 339 Temperature: 1.000000 Total energy: -38.741668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.741668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.741668 (E_RNA) where: Base-Base interactions energy: -15.932 where: short stacking energy: -15.932 Base-Backbone interact. energy: -0.000 local terms energy: -22.810142 where: bonds (distance) C4'-P energy: -4.307 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -4.127 flat angles P-C4'-P energy: -3.403 tors. eta vs tors. theta energy: -5.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 339 Temperature: 1.050000 Total energy: -35.054315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.054315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.054315 (E_RNA) where: Base-Base interactions energy: -12.934 where: short stacking energy: -12.934 Base-Backbone interact. energy: -0.000 local terms energy: -22.120518 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.333 flat angles C4'-P-C4' energy: -4.149 flat angles P-C4'-P energy: -4.026 tors. eta vs tors. theta energy: -3.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 339 Temperature: 1.100000 Total energy: -34.795029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.795029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.795029 (E_RNA) where: Base-Base interactions energy: -14.004 where: short stacking energy: -11.716 Base-Backbone interact. energy: -0.029 local terms energy: -20.761729 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -5.235 flat angles P-C4'-P energy: -3.559 tors. eta vs tors. theta energy: -1.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 339 Temperature: 1.150000 Total energy: -32.604511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.604511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.604511 (E_RNA) where: Base-Base interactions energy: -12.694 where: short stacking energy: -12.694 Base-Backbone interact. energy: -0.000 local terms energy: -19.910192 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -3.337 flat angles P-C4'-P energy: -3.978 tors. eta vs tors. theta energy: -1.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 339 Temperature: 1.200000 Total energy: -26.681473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.681473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.681473 (E_RNA) where: Base-Base interactions energy: -7.935 where: short stacking energy: -7.935 Base-Backbone interact. energy: -0.007 local terms energy: -18.740073 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -5.005 flat angles P-C4'-P energy: -3.161 tors. eta vs tors. theta energy: 0.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 339 Temperature: 1.250000 Total energy: -26.866148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.866148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.866148 (E_RNA) where: Base-Base interactions energy: -6.848 where: short stacking energy: -6.848 Base-Backbone interact. energy: -0.001 local terms energy: -20.017655 where: bonds (distance) C4'-P energy: -2.352 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.780 flat angles P-C4'-P energy: -3.296 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: 9, replica: 10 ===================================== Write number: 339 Temperature: 1.300000 Total energy: -25.020050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.020050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.020050 (E_RNA) where: Base-Base interactions energy: -6.473 where: short stacking energy: -6.473 Base-Backbone interact. energy: -0.099 local terms energy: -18.448337 where: bonds (distance) C4'-P energy: -1.512 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -4.428 flat angles P-C4'-P energy: -3.406 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: 10, replica: 2 ===================================== Write number: 339 Temperature: 1.350000 Total energy: -26.822601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.822601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.822601 (E_RNA) where: Base-Base interactions energy: -9.495 where: short stacking energy: -9.495 Base-Backbone interact. energy: -0.003 local terms energy: -17.325225 where: bonds (distance) C4'-P energy: -4.609 bonds (distance) P-C4' energy: -3.374 flat angles C4'-P-C4' energy: -4.127 flat angles P-C4'-P energy: -3.775 tors. eta vs tors. theta energy: -1.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 340 Temperature: 0.900000 Total energy: -32.865072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.865072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.865072 (E_RNA) where: Base-Base interactions energy: -12.670 where: short stacking energy: -12.670 Base-Backbone interact. energy: -0.000 local terms energy: -20.194905 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -4.033 flat angles P-C4'-P energy: -1.957 tors. eta vs tors. theta energy: -3.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 340 Temperature: 0.950000 Total energy: -36.895408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.895408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.895408 (E_RNA) where: Base-Base interactions energy: -15.393 where: short stacking energy: -15.393 Base-Backbone interact. energy: -0.000 local terms energy: -21.502379 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -4.811 flat angles C4'-P-C4' energy: -4.886 flat angles P-C4'-P energy: -3.239 tors. eta vs tors. theta energy: -3.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 340 Temperature: 1.000000 Total energy: -27.415376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.415376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.415376 (E_RNA) where: Base-Base interactions energy: -8.159 where: short stacking energy: -8.159 Base-Backbone interact. energy: -0.000 local terms energy: -19.256199 where: bonds (distance) C4'-P energy: -3.615 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.149 flat angles P-C4'-P energy: -4.108 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: 4, replica: 9 ===================================== Write number: 340 Temperature: 1.050000 Total energy: -32.480018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.480018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.480018 (E_RNA) where: Base-Base interactions energy: -11.023 where: short stacking energy: -11.023 Base-Backbone interact. energy: -0.000 local terms energy: -21.457281 where: bonds (distance) C4'-P energy: -4.778 bonds (distance) P-C4' energy: -5.065 flat angles C4'-P-C4' energy: -4.848 flat angles P-C4'-P energy: -2.939 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: 5, replica: 3 ===================================== Write number: 340 Temperature: 1.100000 Total energy: -28.931220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.931220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.931220 (E_RNA) where: Base-Base interactions energy: -7.078 where: short stacking energy: -7.078 Base-Backbone interact. energy: -0.002 local terms energy: -21.851400 where: bonds (distance) C4'-P energy: -5.159 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.524 flat angles P-C4'-P energy: -3.703 tors. eta vs tors. theta energy: -1.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 340 Temperature: 1.150000 Total energy: -28.375204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.375204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.375204 (E_RNA) where: Base-Base interactions energy: -8.013 where: short stacking energy: -8.013 Base-Backbone interact. energy: -0.023 local terms energy: -20.338870 where: bonds (distance) C4'-P energy: -4.413 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.613 flat angles P-C4'-P energy: -3.119 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: 7, replica: 1 ===================================== Write number: 340 Temperature: 1.200000 Total energy: -27.151291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.151291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.151291 (E_RNA) where: Base-Base interactions energy: -7.728 where: short stacking energy: -7.728 Base-Backbone interact. energy: -0.000 local terms energy: -19.422906 where: bonds (distance) C4'-P energy: -4.840 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -5.187 flat angles P-C4'-P energy: -2.707 tors. eta vs tors. theta energy: -0.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 340 Temperature: 1.250000 Total energy: -26.691038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.691038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.691038 (E_RNA) where: Base-Base interactions energy: -8.180 where: short stacking energy: -8.180 Base-Backbone interact. energy: -0.000 local terms energy: -18.511155 where: bonds (distance) C4'-P energy: -4.600 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.166 flat angles P-C4'-P energy: -1.211 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: 340 Temperature: 1.300000 Total energy: -25.823457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.823457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.823457 (E_RNA) where: Base-Base interactions energy: -7.875 where: short stacking energy: -7.875 Base-Backbone interact. energy: -0.073 local terms energy: -17.874985 where: bonds (distance) C4'-P energy: -3.490 bonds (distance) P-C4' energy: -5.283 flat angles C4'-P-C4' energy: -2.187 flat angles P-C4'-P energy: -4.638 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: 10 ===================================== Write number: 340 Temperature: 1.350000 Total energy: -26.187877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.187877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.187877 (E_RNA) where: Base-Base interactions energy: -6.290 where: short stacking energy: -6.290 Base-Backbone interact. energy: -0.000 local terms energy: -19.897549 where: bonds (distance) C4'-P energy: -4.513 bonds (distance) P-C4' energy: -5.025 flat angles C4'-P-C4' energy: -5.347 flat angles P-C4'-P energy: -4.245 tors. eta vs tors. theta energy: -0.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 341 Temperature: 0.900000 Total energy: -36.880574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.880574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.880574 (E_RNA) where: Base-Base interactions energy: -14.672 where: short stacking energy: -14.672 Base-Backbone interact. energy: -0.000 local terms energy: -22.208962 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -5.569 flat angles P-C4'-P energy: -3.243 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: 2, replica: 5 ===================================== Write number: 341 Temperature: 0.950000 Total energy: -32.470049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.470049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.470049 (E_RNA) where: Base-Base interactions energy: -11.285 where: short stacking energy: -11.285 Base-Backbone interact. energy: -0.000 local terms energy: -21.184666 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -5.526 flat angles C4'-P-C4' energy: -5.030 flat angles P-C4'-P energy: -3.122 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: 3, replica: 7 ===================================== Write number: 341 Temperature: 1.000000 Total energy: -37.092594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.092594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.092594 (E_RNA) where: Base-Base interactions energy: -15.361 where: short stacking energy: -15.361 Base-Backbone interact. energy: -0.003 local terms energy: -21.728645 where: bonds (distance) C4'-P energy: -4.253 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -3.847 flat angles P-C4'-P energy: -3.495 tors. eta vs tors. theta energy: -4.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 341 Temperature: 1.050000 Total energy: -31.483041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.483041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.483041 (E_RNA) where: Base-Base interactions energy: -10.827 where: short stacking energy: -10.827 Base-Backbone interact. energy: -0.002 local terms energy: -20.654701 where: bonds (distance) C4'-P energy: -3.909 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.517 flat angles P-C4'-P energy: -3.409 tors. eta vs tors. theta energy: -2.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 341 Temperature: 1.100000 Total energy: -26.854923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.854923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.854923 (E_RNA) where: Base-Base interactions energy: -10.826 where: short stacking energy: -10.826 Base-Backbone interact. energy: -0.126 local terms energy: -15.902781 where: bonds (distance) C4'-P energy: -3.118 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -5.142 flat angles P-C4'-P energy: -2.549 tors. eta vs tors. theta energy: -0.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 341 Temperature: 1.150000 Total energy: -30.062578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.062578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.062578 (E_RNA) where: Base-Base interactions energy: -10.115 where: short stacking energy: -10.115 Base-Backbone interact. energy: -0.000 local terms energy: -19.947415 where: bonds (distance) C4'-P energy: -4.240 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -5.083 flat angles P-C4'-P energy: -2.933 tors. eta vs tors. theta energy: -1.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 341 Temperature: 1.200000 Total energy: -30.368378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.368378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.368378 (E_RNA) where: Base-Base interactions energy: -9.192 where: short stacking energy: -9.192 Base-Backbone interact. energy: -0.000 local terms energy: -21.176544 where: bonds (distance) C4'-P energy: -4.421 bonds (distance) P-C4' energy: -5.498 flat angles C4'-P-C4' energy: -5.663 flat angles P-C4'-P energy: -3.702 tors. eta vs tors. theta energy: -1.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 341 Temperature: 1.250000 Total energy: -25.549768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.549768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.549768 (E_RNA) where: Base-Base interactions energy: -8.680 where: short stacking energy: -8.680 Base-Backbone interact. energy: -0.017 local terms energy: -16.852793 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.283 flat angles C4'-P-C4' energy: -1.935 flat angles P-C4'-P energy: -2.164 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: 9, replica: 2 ===================================== Write number: 341 Temperature: 1.300000 Total energy: -27.605983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.605983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.605983 (E_RNA) where: Base-Base interactions energy: -9.996 where: short stacking energy: -9.996 Base-Backbone interact. energy: -0.101 local terms energy: -17.508458 where: bonds (distance) C4'-P energy: -4.397 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -4.409 flat angles P-C4'-P energy: -3.288 tors. eta vs tors. theta energy: -0.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 341 Temperature: 1.350000 Total energy: -28.627118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.627118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.627118 (E_RNA) where: Base-Base interactions energy: -10.700 where: short stacking energy: -10.700 Base-Backbone interact. energy: -0.010 local terms energy: -17.916270 where: bonds (distance) C4'-P energy: -3.888 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.247 flat angles P-C4'-P energy: -2.224 tors. eta vs tors. theta energy: -1.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 342 Temperature: 0.900000 Total energy: -31.149281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.149281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.149281 (E_RNA) where: Base-Base interactions energy: -12.119 where: short stacking energy: -12.119 Base-Backbone interact. energy: -0.000 local terms energy: -19.030253 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -4.879 flat angles C4'-P-C4' energy: -3.473 flat angles P-C4'-P energy: -1.737 tors. eta vs tors. theta energy: -3.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 342 Temperature: 0.950000 Total energy: -36.573388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.573388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.573388 (E_RNA) where: Base-Base interactions energy: -13.827 where: short stacking energy: -13.827 Base-Backbone interact. energy: -0.000 local terms energy: -22.746668 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -4.654 flat angles P-C4'-P energy: -4.316 tors. eta vs tors. theta energy: -2.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 342 Temperature: 1.000000 Total energy: -29.216975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.216975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.216975 (E_RNA) where: Base-Base interactions energy: -7.080 where: short stacking energy: -7.080 Base-Backbone interact. energy: -0.196 local terms energy: -21.940552 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -4.706 flat angles C4'-P-C4' energy: -5.313 flat angles P-C4'-P energy: -4.675 tors. eta vs tors. theta energy: -1.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 342 Temperature: 1.050000 Total energy: -27.654675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.654675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.654675 (E_RNA) where: Base-Base interactions energy: -8.471 where: short stacking energy: -8.471 Base-Backbone interact. energy: -0.000 local terms energy: -19.183319 where: bonds (distance) C4'-P energy: -4.307 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.995 flat angles P-C4'-P energy: -2.339 tors. eta vs tors. theta energy: -1.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 342 Temperature: 1.100000 Total energy: -31.966418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.966418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.966418 (E_RNA) where: Base-Base interactions energy: -10.260 where: short stacking energy: -10.260 Base-Backbone interact. energy: -0.000 local terms energy: -21.706789 where: bonds (distance) C4'-P energy: -4.219 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -5.763 flat angles P-C4'-P energy: -2.200 tors. eta vs tors. theta energy: -3.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 342 Temperature: 1.150000 Total energy: -31.764424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.764424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.764424 (E_RNA) where: Base-Base interactions energy: -10.132 where: short stacking energy: -10.132 Base-Backbone interact. energy: -0.000 local terms energy: -21.632891 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -4.422 flat angles P-C4'-P energy: -3.564 tors. eta vs tors. theta energy: -2.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 342 Temperature: 1.200000 Total energy: -27.206719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.206719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.206719 (E_RNA) where: Base-Base interactions energy: -7.309 where: short stacking energy: -7.309 Base-Backbone interact. energy: -0.003 local terms energy: -19.895093 where: bonds (distance) C4'-P energy: -4.219 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.463 flat angles P-C4'-P energy: -2.437 tors. eta vs tors. theta energy: -1.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 342 Temperature: 1.250000 Total energy: -28.703560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.703560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.703560 (E_RNA) where: Base-Base interactions energy: -8.250 where: short stacking energy: -8.250 Base-Backbone interact. energy: -0.000 local terms energy: -20.453987 where: bonds (distance) C4'-P energy: -2.861 bonds (distance) P-C4' energy: -4.522 flat angles C4'-P-C4' energy: -5.372 flat angles P-C4'-P energy: -3.750 tors. eta vs tors. theta energy: -3.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 342 Temperature: 1.300000 Total energy: -26.042043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.042043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.042043 (E_RNA) where: Base-Base interactions energy: -6.560 where: short stacking energy: -6.560 Base-Backbone interact. energy: -0.091 local terms energy: -19.391385 where: bonds (distance) C4'-P energy: -4.609 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -3.927 flat angles P-C4'-P energy: -3.864 tors. eta vs tors. theta energy: -0.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 342 Temperature: 1.350000 Total energy: -25.550110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.550110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.550110 (E_RNA) where: Base-Base interactions energy: -2.999 where: short stacking energy: -2.999 Base-Backbone interact. energy: -0.001 local terms energy: -22.550286 where: bonds (distance) C4'-P energy: -4.405 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.336 flat angles P-C4'-P energy: -3.854 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: 1, replica: 5 ===================================== Write number: 343 Temperature: 0.900000 Total energy: -33.264945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.264945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.264945 (E_RNA) where: Base-Base interactions energy: -11.898 where: short stacking energy: -11.898 Base-Backbone interact. energy: -0.112 local terms energy: -21.255121 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -5.182 flat angles P-C4'-P energy: -2.992 tors. eta vs tors. theta energy: -2.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 343 Temperature: 0.950000 Total energy: -34.588608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.588608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.588608 (E_RNA) where: Base-Base interactions energy: -13.270 where: short stacking energy: -13.270 Base-Backbone interact. energy: -0.000 local terms energy: -21.318550 where: bonds (distance) C4'-P energy: -4.787 bonds (distance) P-C4' energy: -4.814 flat angles C4'-P-C4' energy: -5.344 flat angles P-C4'-P energy: -3.468 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: 4 ===================================== Write number: 343 Temperature: 1.000000 Total energy: -26.604635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.604635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.604635 (E_RNA) where: Base-Base interactions energy: -7.567 where: short stacking energy: -7.567 Base-Backbone interact. energy: -0.001 local terms energy: -19.036395 where: bonds (distance) C4'-P energy: -3.038 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -5.325 flat angles P-C4'-P energy: -3.572 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: 4, replica: 8 ===================================== Write number: 343 Temperature: 1.050000 Total energy: -29.028536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.028536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.028536 (E_RNA) where: Base-Base interactions energy: -11.962 where: short stacking energy: -11.962 Base-Backbone interact. energy: -0.000 local terms energy: -17.066315 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -2.935 flat angles P-C4'-P energy: -2.701 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: 5, replica: 7 ===================================== Write number: 343 Temperature: 1.100000 Total energy: -30.461197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.461197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.461197 (E_RNA) where: Base-Base interactions energy: -7.657 where: short stacking energy: -7.657 Base-Backbone interact. energy: -0.019 local terms energy: -22.784820 where: bonds (distance) C4'-P energy: -4.132 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -5.620 flat angles P-C4'-P energy: -4.103 tors. eta vs tors. theta energy: -3.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 343 Temperature: 1.150000 Total energy: -26.510677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.510677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.510677 (E_RNA) where: Base-Base interactions energy: -4.817 where: short stacking energy: -4.817 Base-Backbone interact. energy: -0.310 local terms energy: -21.383873 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.034 flat angles P-C4'-P energy: -3.559 tors. eta vs tors. theta energy: -1.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 343 Temperature: 1.200000 Total energy: -28.923707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.923707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.923707 (E_RNA) where: Base-Base interactions energy: -8.699 where: short stacking energy: -8.699 Base-Backbone interact. energy: -0.004 local terms energy: -20.220978 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.290 flat angles C4'-P-C4' energy: -5.505 flat angles P-C4'-P energy: -4.109 tors. eta vs tors. theta energy: -0.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 343 Temperature: 1.250000 Total energy: -25.653347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.653347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.653347 (E_RNA) where: Base-Base interactions energy: -7.058 where: short stacking energy: -7.058 Base-Backbone interact. energy: -0.000 local terms energy: -18.595397 where: bonds (distance) C4'-P energy: -3.694 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -5.293 flat angles P-C4'-P energy: -1.689 tors. eta vs tors. theta energy: -2.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 343 Temperature: 1.300000 Total energy: -25.096580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.096580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.096580 (E_RNA) where: Base-Base interactions energy: -4.063 where: short stacking energy: -4.063 Base-Backbone interact. energy: -0.000 local terms energy: -21.033179 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -5.117 flat angles P-C4'-P energy: -3.213 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: 10, replica: 2 ===================================== Write number: 343 Temperature: 1.350000 Total energy: -23.510611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.510611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.510611 (E_RNA) where: Base-Base interactions energy: -6.589 where: short stacking energy: -6.589 Base-Backbone interact. energy: -0.050 local terms energy: -16.871331 where: bonds (distance) C4'-P energy: -4.744 bonds (distance) P-C4' energy: -4.406 flat angles C4'-P-C4' energy: -3.165 flat angles P-C4'-P energy: -3.925 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: 3 ===================================== Write number: 344 Temperature: 0.900000 Total energy: -34.348151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.348151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.348151 (E_RNA) where: Base-Base interactions energy: -12.207 where: short stacking energy: -12.207 Base-Backbone interact. energy: -0.000 local terms energy: -22.140651 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.394 flat angles P-C4'-P energy: -3.653 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: 2, replica: 5 ===================================== Write number: 344 Temperature: 0.950000 Total energy: -29.256016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.256016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.256016 (E_RNA) where: Base-Base interactions energy: -7.776 where: short stacking energy: -7.776 Base-Backbone interact. energy: -0.007 local terms energy: -21.473091 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -3.490 flat angles P-C4'-P energy: -4.199 tors. eta vs tors. theta energy: -2.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 344 Temperature: 1.000000 Total energy: -38.680021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.680021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.680021 (E_RNA) where: Base-Base interactions energy: -14.243 where: short stacking energy: -14.243 Base-Backbone interact. energy: -0.000 local terms energy: -24.436823 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.526 flat angles C4'-P-C4' energy: -5.643 flat angles P-C4'-P energy: -3.313 tors. eta vs tors. theta energy: -4.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 344 Temperature: 1.050000 Total energy: -31.927773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.927773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.927773 (E_RNA) where: Base-Base interactions energy: -10.306 where: short stacking energy: -10.390 Base-Backbone interact. energy: -0.000 local terms energy: -21.621405 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -3.985 flat angles C4'-P-C4' energy: -4.829 flat angles P-C4'-P energy: -3.773 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: 5, replica: 7 ===================================== Write number: 344 Temperature: 1.100000 Total energy: -32.540019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.540019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.540019 (E_RNA) where: Base-Base interactions energy: -10.488 where: short stacking energy: -10.488 Base-Backbone interact. energy: -0.000 local terms energy: -22.051544 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -5.868 flat angles P-C4'-P energy: -2.930 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: 6, replica: 6 ===================================== Write number: 344 Temperature: 1.150000 Total energy: -28.034623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.034623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.034623 (E_RNA) where: Base-Base interactions energy: -8.252 where: short stacking energy: -8.252 Base-Backbone interact. energy: -0.118 local terms energy: -19.664803 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -5.522 flat angles C4'-P-C4' energy: -4.916 flat angles P-C4'-P energy: -3.096 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: 7, replica: 10 ===================================== Write number: 344 Temperature: 1.200000 Total energy: -30.030266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.030266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.030266 (E_RNA) where: Base-Base interactions energy: -10.059 where: short stacking energy: -10.059 Base-Backbone interact. energy: -0.030 local terms energy: -19.940722 where: bonds (distance) C4'-P energy: -4.547 bonds (distance) P-C4' energy: -4.026 flat angles C4'-P-C4' energy: -5.397 flat angles P-C4'-P energy: -3.239 tors. eta vs tors. theta energy: -2.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 344 Temperature: 1.250000 Total energy: -29.168449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.168449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.168449 (E_RNA) where: Base-Base interactions energy: -8.467 where: short stacking energy: -8.467 Base-Backbone interact. energy: -0.001 local terms energy: -20.701079 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -4.814 flat angles C4'-P-C4' energy: -4.959 flat angles P-C4'-P energy: -2.896 tors. eta vs tors. theta energy: -3.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 344 Temperature: 1.300000 Total energy: -26.553375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.553375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.553375 (E_RNA) where: Base-Base interactions energy: -9.334 where: short stacking energy: -9.334 Base-Backbone interact. energy: -0.000 local terms energy: -17.218696 where: bonds (distance) C4'-P energy: -4.679 bonds (distance) P-C4' energy: -4.574 flat angles C4'-P-C4' energy: -2.714 flat angles P-C4'-P energy: -1.717 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: 10, replica: 1 ===================================== Write number: 344 Temperature: 1.350000 Total energy: -23.473037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.473037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.473037 (E_RNA) where: Base-Base interactions energy: -4.154 where: short stacking energy: -4.154 Base-Backbone interact. energy: -0.045 local terms energy: -19.273961 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -4.860 flat angles C4'-P-C4' energy: -5.632 flat angles P-C4'-P energy: -3.813 tors. eta vs tors. theta energy: -0.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 345 Temperature: 0.900000 Total energy: -34.563593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.563593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.563593 (E_RNA) where: Base-Base interactions energy: -15.468 where: short stacking energy: -15.468 Base-Backbone interact. energy: -0.000 local terms energy: -19.095947 where: bonds (distance) C4'-P energy: -2.878 bonds (distance) P-C4' energy: -5.522 flat angles C4'-P-C4' energy: -4.547 flat angles P-C4'-P energy: -4.243 tors. eta vs tors. theta energy: -1.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 345 Temperature: 0.950000 Total energy: -28.441256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.441256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.441256 (E_RNA) where: Base-Base interactions energy: -9.996 where: short stacking energy: -9.996 Base-Backbone interact. energy: -0.000 local terms energy: -18.445632 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -4.642 flat angles C4'-P-C4' energy: -5.026 flat angles P-C4'-P energy: -0.883 tors. eta vs tors. theta energy: -2.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 345 Temperature: 1.000000 Total energy: -32.140630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.140630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.140630 (E_RNA) where: Base-Base interactions energy: -12.035 where: short stacking energy: -12.035 Base-Backbone interact. energy: -0.001 local terms energy: -20.104220 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -3.164 flat angles P-C4'-P energy: -4.391 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: 7 ===================================== Write number: 345 Temperature: 1.050000 Total energy: -32.758129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.758129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.758129 (E_RNA) where: Base-Base interactions energy: -11.052 where: short stacking energy: -11.052 Base-Backbone interact. energy: -0.002 local terms energy: -21.703874 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.783 flat angles C4'-P-C4' energy: -5.431 flat angles P-C4'-P energy: -3.786 tors. eta vs tors. theta energy: -1.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 345 Temperature: 1.100000 Total energy: -31.422129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.422129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.422129 (E_RNA) where: Base-Base interactions energy: -7.980 where: short stacking energy: -7.980 Base-Backbone interact. energy: -0.000 local terms energy: -23.442504 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.486 flat angles P-C4'-P energy: -4.273 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: 6, replica: 10 ===================================== Write number: 345 Temperature: 1.150000 Total energy: -29.359263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.359263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.359263 (E_RNA) where: Base-Base interactions energy: -12.399 where: short stacking energy: -12.399 Base-Backbone interact. energy: -0.000 local terms energy: -16.960711 where: bonds (distance) C4'-P energy: -4.351 bonds (distance) P-C4' energy: -2.790 flat angles C4'-P-C4' energy: -3.664 flat angles P-C4'-P energy: -3.154 tors. eta vs tors. theta energy: -3.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 345 Temperature: 1.200000 Total energy: -26.777378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.777378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.777378 (E_RNA) where: Base-Base interactions energy: -12.017 where: short stacking energy: -12.017 Base-Backbone interact. energy: -0.080 local terms energy: -14.680229 where: bonds (distance) C4'-P energy: -2.290 bonds (distance) P-C4' energy: -4.452 flat angles C4'-P-C4' energy: -4.945 flat angles P-C4'-P energy: -0.639 tors. eta vs tors. theta energy: -2.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 345 Temperature: 1.250000 Total energy: -30.487929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.487929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.487929 (E_RNA) where: Base-Base interactions energy: -7.401 where: short stacking energy: -7.401 Base-Backbone interact. energy: -0.000 local terms energy: -23.086672 where: bonds (distance) C4'-P energy: -4.165 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -5.227 flat angles P-C4'-P energy: -3.737 tors. eta vs tors. theta energy: -3.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 345 Temperature: 1.300000 Total energy: -26.845875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.845875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.845875 (E_RNA) where: Base-Base interactions energy: -8.762 where: short stacking energy: -5.559 Base-Backbone interact. energy: -0.085 local terms energy: -17.999364 where: bonds (distance) C4'-P energy: -3.891 bonds (distance) P-C4' energy: -5.231 flat angles C4'-P-C4' energy: -4.460 flat angles P-C4'-P energy: -3.800 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: 1 ===================================== Write number: 345 Temperature: 1.350000 Total energy: -29.456511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.456511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.456511 (E_RNA) where: Base-Base interactions energy: -10.744 where: short stacking energy: -10.744 Base-Backbone interact. energy: -0.000 local terms energy: -18.711944 where: bonds (distance) C4'-P energy: -3.242 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -5.490 flat angles P-C4'-P energy: -2.263 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: 1, replica: 5 ===================================== Write number: 346 Temperature: 0.900000 Total energy: -35.284169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.284169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.284169 (E_RNA) where: Base-Base interactions energy: -12.107 where: short stacking energy: -12.107 Base-Backbone interact. energy: -0.000 local terms energy: -23.177342 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -4.706 flat angles C4'-P-C4' energy: -5.198 flat angles P-C4'-P energy: -4.442 tors. eta vs tors. theta energy: -3.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 346 Temperature: 0.950000 Total energy: -37.933861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.933861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.933861 (E_RNA) where: Base-Base interactions energy: -15.878 where: short stacking energy: -15.878 Base-Backbone interact. energy: -0.042 local terms energy: -22.013216 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -4.164 flat angles P-C4'-P energy: -4.542 tors. eta vs tors. theta energy: -3.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 346 Temperature: 1.000000 Total energy: -33.535474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.535474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.535474 (E_RNA) where: Base-Base interactions energy: -12.727 where: short stacking energy: -12.927 Base-Backbone interact. energy: -0.000 local terms energy: -20.808271 where: bonds (distance) C4'-P energy: -4.786 bonds (distance) P-C4' energy: -6.256 flat angles C4'-P-C4' energy: -2.968 flat angles P-C4'-P energy: -3.456 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: 4, replica: 8 ===================================== Write number: 346 Temperature: 1.050000 Total energy: -29.436630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.436630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.436630 (E_RNA) where: Base-Base interactions energy: -8.153 where: short stacking energy: -8.153 Base-Backbone interact. energy: -0.492 local terms energy: -20.791131 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -5.162 flat angles P-C4'-P energy: -3.541 tors. eta vs tors. theta energy: -2.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 346 Temperature: 1.100000 Total energy: -28.199687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.199687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.199687 (E_RNA) where: Base-Base interactions energy: -9.288 where: short stacking energy: -9.288 Base-Backbone interact. energy: -0.318 local terms energy: -18.593197 where: bonds (distance) C4'-P energy: -4.025 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -4.465 flat angles P-C4'-P energy: -3.506 tors. eta vs tors. theta energy: -1.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 346 Temperature: 1.150000 Total energy: -33.156088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.156088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.156088 (E_RNA) where: Base-Base interactions energy: -15.933 where: short stacking energy: -15.933 Base-Backbone interact. energy: -0.008 local terms energy: -17.215323 where: bonds (distance) C4'-P energy: -4.840 bonds (distance) P-C4' energy: -3.174 flat angles C4'-P-C4' energy: -4.670 flat angles P-C4'-P energy: -1.478 tors. eta vs tors. theta energy: -3.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 346 Temperature: 1.200000 Total energy: -33.380007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.380007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.380007 (E_RNA) where: Base-Base interactions energy: -13.516 where: short stacking energy: -13.516 Base-Backbone interact. energy: -0.058 local terms energy: -19.806533 where: bonds (distance) C4'-P energy: -4.161 bonds (distance) P-C4' energy: -4.807 flat angles C4'-P-C4' energy: -2.983 flat angles P-C4'-P energy: -3.775 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: 8, replica: 6 ===================================== Write number: 346 Temperature: 1.250000 Total energy: -26.124704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.124704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.124704 (E_RNA) where: Base-Base interactions energy: -7.266 where: short stacking energy: -7.266 Base-Backbone interact. energy: -0.000 local terms energy: -18.859082 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.583 flat angles P-C4'-P energy: -2.085 tors. eta vs tors. theta energy: -1.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 346 Temperature: 1.300000 Total energy: -23.685490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.685490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.685490 (E_RNA) where: Base-Base interactions energy: -2.955 where: short stacking energy: -2.955 Base-Backbone interact. energy: -0.069 local terms energy: -20.661434 where: bonds (distance) C4'-P energy: -3.756 bonds (distance) P-C4' energy: -5.298 flat angles C4'-P-C4' energy: -4.838 flat angles P-C4'-P energy: -3.501 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: 9 ===================================== Write number: 346 Temperature: 1.350000 Total energy: -27.115779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.115779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.115779 (E_RNA) where: Base-Base interactions energy: -8.023 where: short stacking energy: -8.023 Base-Backbone interact. energy: -0.161 local terms energy: -18.931345 where: bonds (distance) C4'-P energy: -4.547 bonds (distance) P-C4' energy: -4.839 flat angles C4'-P-C4' energy: -5.853 flat angles P-C4'-P energy: -3.149 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: 5 ===================================== Write number: 347 Temperature: 0.900000 Total energy: -38.732852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.732852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.732852 (E_RNA) where: Base-Base interactions energy: -15.872 where: short stacking energy: -15.872 Base-Backbone interact. energy: -0.000 local terms energy: -22.860445 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.496 flat angles P-C4'-P energy: -3.188 tors. eta vs tors. theta energy: -3.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 347 Temperature: 0.950000 Total energy: -34.044733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.044733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.044733 (E_RNA) where: Base-Base interactions energy: -12.592 where: short stacking energy: -12.592 Base-Backbone interact. energy: -0.000 local terms energy: -21.452973 where: bonds (distance) C4'-P energy: -4.248 bonds (distance) P-C4' energy: -4.452 flat angles C4'-P-C4' energy: -5.167 flat angles P-C4'-P energy: -3.359 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: 3, replica: 3 ===================================== Write number: 347 Temperature: 1.000000 Total energy: -35.458388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.458388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.458388 (E_RNA) where: Base-Base interactions energy: -11.166 where: short stacking energy: -11.166 Base-Backbone interact. energy: -0.000 local terms energy: -24.292245 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.791 flat angles P-C4'-P energy: -3.126 tors. eta vs tors. theta energy: -4.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 347 Temperature: 1.050000 Total energy: -29.958354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.958354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.958354 (E_RNA) where: Base-Base interactions energy: -6.607 where: short stacking energy: -6.607 Base-Backbone interact. energy: -0.002 local terms energy: -23.349766 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -5.114 flat angles P-C4'-P energy: -2.898 tors. eta vs tors. theta energy: -4.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 347 Temperature: 1.100000 Total energy: -30.004982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.004982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.004982 (E_RNA) where: Base-Base interactions energy: -8.135 where: short stacking energy: -8.135 Base-Backbone interact. energy: -0.001 local terms energy: -21.869454 where: bonds (distance) C4'-P energy: -4.219 bonds (distance) P-C4' energy: -4.544 flat angles C4'-P-C4' energy: -5.096 flat angles P-C4'-P energy: -3.976 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: 6, replica: 2 ===================================== Write number: 347 Temperature: 1.150000 Total energy: -34.298762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.298762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.298762 (E_RNA) where: Base-Base interactions energy: -14.865 where: short stacking energy: -14.865 Base-Backbone interact. energy: -0.001 local terms energy: -19.433371 where: bonds (distance) C4'-P energy: -3.382 bonds (distance) P-C4' energy: -5.522 flat angles C4'-P-C4' energy: -4.731 flat angles P-C4'-P energy: -3.248 tors. eta vs tors. theta energy: -2.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 347 Temperature: 1.200000 Total energy: -30.005949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.005949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.005949 (E_RNA) where: Base-Base interactions energy: -9.926 where: short stacking energy: -9.926 Base-Backbone interact. energy: -0.000 local terms energy: -20.079881 where: bonds (distance) C4'-P energy: -4.563 bonds (distance) P-C4' energy: -5.308 flat angles C4'-P-C4' energy: -5.176 flat angles P-C4'-P energy: -3.059 tors. eta vs tors. theta energy: -1.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 347 Temperature: 1.250000 Total energy: -25.311334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.311334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.311334 (E_RNA) where: Base-Base interactions energy: -9.280 where: short stacking energy: -9.380 Base-Backbone interact. energy: -0.004 local terms energy: -16.027177 where: bonds (distance) C4'-P energy: -4.600 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -3.450 flat angles P-C4'-P energy: -1.635 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: 9, replica: 6 ===================================== Write number: 347 Temperature: 1.300000 Total energy: -22.128499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.128499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.128499 (E_RNA) where: Base-Base interactions energy: -7.326 where: short stacking energy: -7.326 Base-Backbone interact. energy: -0.007 local terms energy: -14.795233 where: bonds (distance) C4'-P energy: -3.756 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -2.155 flat angles P-C4'-P energy: -2.625 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: 9 ===================================== Write number: 347 Temperature: 1.350000 Total energy: -24.679492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.679492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.679492 (E_RNA) where: Base-Base interactions energy: -8.920 where: short stacking energy: -8.920 Base-Backbone interact. energy: -0.000 local terms energy: -15.759346 where: bonds (distance) C4'-P energy: -4.787 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -1.900 flat angles P-C4'-P energy: -2.055 tors. eta vs tors. theta energy: -0.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 348 Temperature: 0.900000 Total energy: -29.814618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.814618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.814618 (E_RNA) where: Base-Base interactions energy: -11.430 where: short stacking energy: -11.430 Base-Backbone interact. energy: -0.004 local terms energy: -18.380607 where: bonds (distance) C4'-P energy: -4.377 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -4.500 flat angles P-C4'-P energy: -4.610 tors. eta vs tors. theta energy: 0.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 348 Temperature: 0.950000 Total energy: -32.931093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.931093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.931093 (E_RNA) where: Base-Base interactions energy: -8.907 where: short stacking energy: -8.907 Base-Backbone interact. energy: -0.098 local terms energy: -23.926651 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.890 flat angles P-C4'-P energy: -4.423 tors. eta vs tors. theta energy: -3.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 348 Temperature: 1.000000 Total energy: -35.898501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.898501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.898501 (E_RNA) where: Base-Base interactions energy: -13.146 where: short stacking energy: -13.146 Base-Backbone interact. energy: -0.000 local terms energy: -22.752134 where: bonds (distance) C4'-P energy: -4.840 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.594 flat angles P-C4'-P energy: -4.635 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: 4, replica: 3 ===================================== Write number: 348 Temperature: 1.050000 Total energy: -26.965168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.965168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.965168 (E_RNA) where: Base-Base interactions energy: -7.366 where: short stacking energy: -7.366 Base-Backbone interact. energy: -0.000 local terms energy: -19.599320 where: bonds (distance) C4'-P energy: -4.219 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -5.731 flat angles P-C4'-P energy: -1.306 tors. eta vs tors. theta energy: -2.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 348 Temperature: 1.100000 Total energy: -31.328788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.328788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.328788 (E_RNA) where: Base-Base interactions energy: -12.339 where: short stacking energy: -12.339 Base-Backbone interact. energy: -0.000 local terms energy: -18.989028 where: bonds (distance) C4'-P energy: -3.243 bonds (distance) P-C4' energy: -3.402 flat angles C4'-P-C4' energy: -4.428 flat angles P-C4'-P energy: -3.685 tors. eta vs tors. theta energy: -4.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 348 Temperature: 1.150000 Total energy: -27.310188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.310188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.310188 (E_RNA) where: Base-Base interactions energy: -12.362 where: short stacking energy: -12.362 Base-Backbone interact. energy: -0.119 local terms energy: -14.829243 where: bonds (distance) C4'-P energy: -2.869 bonds (distance) P-C4' energy: -4.436 flat angles C4'-P-C4' energy: -4.164 flat angles P-C4'-P energy: -2.529 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: 7, replica: 1 ===================================== Write number: 348 Temperature: 1.200000 Total energy: -29.352609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.352609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.352609 (E_RNA) where: Base-Base interactions energy: -9.850 where: short stacking energy: -9.850 Base-Backbone interact. energy: -0.000 local terms energy: -19.502577 where: bonds (distance) C4'-P energy: -2.869 bonds (distance) P-C4' energy: -6.020 flat angles C4'-P-C4' energy: -5.677 flat angles P-C4'-P energy: -3.172 tors. eta vs tors. theta energy: -1.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 348 Temperature: 1.250000 Total energy: -27.600040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.600040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.600040 (E_RNA) where: Base-Base interactions energy: -9.224 where: short stacking energy: -9.224 Base-Backbone interact. energy: -0.089 local terms energy: -18.286834 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.332 flat angles P-C4'-P energy: -1.022 tors. eta vs tors. theta energy: -0.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 348 Temperature: 1.300000 Total energy: -28.316369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.316369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.316369 (E_RNA) where: Base-Base interactions energy: -8.606 where: short stacking energy: -8.606 Base-Backbone interact. energy: -0.001 local terms energy: -19.710193 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.713 flat angles P-C4'-P energy: -4.468 tors. eta vs tors. theta energy: 0.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 348 Temperature: 1.350000 Total energy: -24.036997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.036997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.036997 (E_RNA) where: Base-Base interactions energy: -9.282 where: short stacking energy: -7.535 Base-Backbone interact. energy: -0.007 local terms energy: -14.748350 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -4.945 flat angles C4'-P-C4' energy: -3.121 flat angles P-C4'-P energy: -3.277 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: 5 ===================================== Write number: 349 Temperature: 0.900000 Total energy: -33.470545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.470545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.470545 (E_RNA) where: Base-Base interactions energy: -13.467 where: short stacking energy: -13.467 Base-Backbone interact. energy: -0.000 local terms energy: -20.003876 where: bonds (distance) C4'-P energy: -4.493 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -3.561 flat angles P-C4'-P energy: -3.953 tors. eta vs tors. theta energy: -1.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 349 Temperature: 0.950000 Total energy: -39.622661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.622661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.622661 (E_RNA) where: Base-Base interactions energy: -16.413 where: short stacking energy: -16.413 Base-Backbone interact. energy: -0.000 local terms energy: -23.209276 where: bonds (distance) C4'-P energy: -4.513 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -4.490 flat angles P-C4'-P energy: -4.191 tors. eta vs tors. theta energy: -4.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 349 Temperature: 1.000000 Total energy: -31.395975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.395975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.395975 (E_RNA) where: Base-Base interactions energy: -13.489 where: short stacking energy: -13.489 Base-Backbone interact. energy: -0.007 local terms energy: -17.900235 where: bonds (distance) C4'-P energy: -5.159 bonds (distance) P-C4' energy: -4.022 flat angles C4'-P-C4' energy: -5.084 flat angles P-C4'-P energy: -1.488 tors. eta vs tors. theta energy: -2.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 349 Temperature: 1.050000 Total energy: -28.459703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.459703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.459703 (E_RNA) where: Base-Base interactions energy: -9.241 where: short stacking energy: -8.542 Base-Backbone interact. energy: -0.121 local terms energy: -19.097391 where: bonds (distance) C4'-P energy: -4.004 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -5.323 flat angles P-C4'-P energy: -3.799 tors. eta vs tors. theta energy: 0.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 349 Temperature: 1.100000 Total energy: -23.882725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.882725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.882725 (E_RNA) where: Base-Base interactions energy: -7.796 where: short stacking energy: -7.881 Base-Backbone interact. energy: -1.150 local terms energy: -14.936420 where: bonds (distance) C4'-P energy: -4.124 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -1.679 flat angles P-C4'-P energy: -3.580 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: 6, replica: 1 ===================================== Write number: 349 Temperature: 1.150000 Total energy: -29.452537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.452537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.452537 (E_RNA) where: Base-Base interactions energy: -11.727 where: short stacking energy: -11.727 Base-Backbone interact. energy: -0.000 local terms energy: -17.724682 where: bonds (distance) C4'-P energy: -3.714 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -3.661 flat angles P-C4'-P energy: -2.905 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: 7, replica: 2 ===================================== Write number: 349 Temperature: 1.200000 Total energy: -34.075560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.075560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.075560 (E_RNA) where: Base-Base interactions energy: -14.515 where: short stacking energy: -14.515 Base-Backbone interact. energy: -0.000 local terms energy: -19.560127 where: bonds (distance) C4'-P energy: -4.628 bonds (distance) P-C4' energy: -5.569 flat angles C4'-P-C4' energy: -0.601 flat angles P-C4'-P energy: -3.671 tors. eta vs tors. theta energy: -5.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 349 Temperature: 1.250000 Total energy: -31.639758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.639758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.639758 (E_RNA) where: Base-Base interactions energy: -11.593 where: short stacking energy: -11.593 Base-Backbone interact. energy: -0.000 local terms energy: -20.046662 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.080 flat angles P-C4'-P energy: -1.633 tors. eta vs tors. theta energy: -2.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 349 Temperature: 1.300000 Total energy: -26.369686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.369686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.369686 (E_RNA) where: Base-Base interactions energy: -8.635 where: short stacking energy: -9.035 Base-Backbone interact. energy: -0.077 local terms energy: -17.657657 where: bonds (distance) C4'-P energy: -3.908 bonds (distance) P-C4' energy: -3.631 flat angles C4'-P-C4' energy: -4.893 flat angles P-C4'-P energy: -3.845 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: 10, replica: 6 ===================================== Write number: 349 Temperature: 1.350000 Total energy: -21.252863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.252863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.252863 (E_RNA) where: Base-Base interactions energy: -5.653 where: short stacking energy: -5.653 Base-Backbone interact. energy: -0.013 local terms energy: -15.586902 where: bonds (distance) C4'-P energy: -3.607 bonds (distance) P-C4' energy: -4.681 flat angles C4'-P-C4' energy: -4.605 flat angles P-C4'-P energy: -3.736 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: 1, replica: 7 ===================================== Write number: 350 Temperature: 0.900000 Total energy: -33.866952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.866952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.866952 (E_RNA) where: Base-Base interactions energy: -11.620 where: short stacking energy: -11.620 Base-Backbone interact. energy: -0.014 local terms energy: -22.232537 where: bonds (distance) C4'-P energy: -4.600 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.799 flat angles P-C4'-P energy: -4.079 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: 2, replica: 5 ===================================== Write number: 350 Temperature: 0.950000 Total energy: -34.293814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.293814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.293814 (E_RNA) where: Base-Base interactions energy: -10.020 where: short stacking energy: -10.020 Base-Backbone interact. energy: -0.000 local terms energy: -24.273612 where: bonds (distance) C4'-P energy: -3.925 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.009 flat angles P-C4'-P energy: -4.394 tors. eta vs tors. theta energy: -4.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 350 Temperature: 1.000000 Total energy: -30.143430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.143430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.143430 (E_RNA) where: Base-Base interactions energy: -8.725 where: short stacking energy: -8.725 Base-Backbone interact. energy: 0.158 local terms energy: -21.575895 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -4.780 flat angles C4'-P-C4' energy: -4.481 flat angles P-C4'-P energy: -4.108 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: 4, replica: 10 ===================================== Write number: 350 Temperature: 1.050000 Total energy: -25.386523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.386523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.386523 (E_RNA) where: Base-Base interactions energy: -9.645 where: short stacking energy: -9.645 Base-Backbone interact. energy: -0.057 local terms energy: -15.684482 where: bonds (distance) C4'-P energy: -4.832 bonds (distance) P-C4' energy: -3.274 flat angles C4'-P-C4' energy: -3.371 flat angles P-C4'-P energy: -1.795 tors. eta vs tors. theta energy: -2.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 350 Temperature: 1.100000 Total energy: -27.353348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.353348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.353348 (E_RNA) where: Base-Base interactions energy: -7.539 where: short stacking energy: -7.539 Base-Backbone interact. energy: -0.100 local terms energy: -19.714676 where: bonds (distance) C4'-P energy: -4.413 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -3.569 flat angles P-C4'-P energy: -4.381 tors. eta vs tors. theta energy: -1.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 350 Temperature: 1.150000 Total energy: -27.610137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.610137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.610137 (E_RNA) where: Base-Base interactions energy: -8.185 where: short stacking energy: -8.185 Base-Backbone interact. energy: -0.000 local terms energy: -19.425143 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -3.564 flat angles P-C4'-P energy: -3.830 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: 7, replica: 9 ===================================== Write number: 350 Temperature: 1.200000 Total energy: -28.262565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.262565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.262565 (E_RNA) where: Base-Base interactions energy: -5.561 where: short stacking energy: -5.561 Base-Backbone interact. energy: -0.000 local terms energy: -22.701098 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -4.639 flat angles C4'-P-C4' energy: -4.588 flat angles P-C4'-P energy: -3.867 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: 8, replica: 2 ===================================== Write number: 350 Temperature: 1.250000 Total energy: -25.356103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.356103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.356103 (E_RNA) where: Base-Base interactions energy: -5.955 where: short stacking energy: -5.955 Base-Backbone interact. energy: -0.013 local terms energy: -19.388147 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.672 flat angles P-C4'-P energy: -3.914 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: 9, replica: 6 ===================================== Write number: 350 Temperature: 1.300000 Total energy: -26.423692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.423692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.423692 (E_RNA) where: Base-Base interactions energy: -6.443 where: short stacking energy: -6.443 Base-Backbone interact. energy: -0.057 local terms energy: -19.923423 where: bonds (distance) C4'-P energy: -4.865 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -4.003 flat angles P-C4'-P energy: -3.386 tors. eta vs tors. theta energy: -2.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 350 Temperature: 1.350000 Total energy: -26.600686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.600686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.600686 (E_RNA) where: Base-Base interactions energy: -11.639 where: short stacking energy: -11.639 Base-Backbone interact. energy: -0.001 local terms energy: -14.960376 where: bonds (distance) C4'-P energy: -3.374 bonds (distance) P-C4' energy: -3.786 flat angles C4'-P-C4' energy: -4.231 flat angles P-C4'-P energy: -1.205 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: 7 ===================================== Write number: 351 Temperature: 0.900000 Total energy: -33.178639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.178639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.178639 (E_RNA) where: Base-Base interactions energy: -12.513 where: short stacking energy: -12.513 Base-Backbone interact. energy: -0.016 local terms energy: -20.649406 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -4.748 flat angles P-C4'-P energy: -4.342 tors. eta vs tors. theta energy: -1.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 351 Temperature: 0.950000 Total energy: -37.889173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.889173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.889173 (E_RNA) where: Base-Base interactions energy: -16.612 where: short stacking energy: -16.612 Base-Backbone interact. energy: -0.000 local terms energy: -21.277229 where: bonds (distance) C4'-P energy: -5.089 bonds (distance) P-C4' energy: -4.702 flat angles C4'-P-C4' energy: -4.565 flat angles P-C4'-P energy: -3.886 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: 3, replica: 5 ===================================== Write number: 351 Temperature: 1.000000 Total energy: -31.591174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.591174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.591174 (E_RNA) where: Base-Base interactions energy: -11.616 where: short stacking energy: -11.616 Base-Backbone interact. energy: -0.026 local terms energy: -19.948767 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.043 flat angles C4'-P-C4' energy: -4.706 flat angles P-C4'-P energy: -3.354 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: 1 ===================================== Write number: 351 Temperature: 1.050000 Total energy: -28.728811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.728811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.728811 (E_RNA) where: Base-Base interactions energy: -6.966 where: short stacking energy: -6.966 Base-Backbone interact. energy: -0.000 local terms energy: -21.762366 where: bonds (distance) C4'-P energy: -3.942 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -4.241 flat angles P-C4'-P energy: -3.738 tors. eta vs tors. theta energy: -4.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 351 Temperature: 1.100000 Total energy: -30.503939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.503939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.503939 (E_RNA) where: Base-Base interactions energy: -9.703 where: short stacking energy: -9.903 Base-Backbone interact. energy: -0.470 local terms energy: -20.330849 where: bonds (distance) C4'-P energy: -4.628 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -4.567 flat angles P-C4'-P energy: -4.152 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: 6, replica: 9 ===================================== Write number: 351 Temperature: 1.150000 Total energy: -26.599903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.599903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.599903 (E_RNA) where: Base-Base interactions energy: -7.012 where: short stacking energy: -7.012 Base-Backbone interact. energy: -0.013 local terms energy: -19.574700 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -4.642 flat angles C4'-P-C4' energy: -3.524 flat angles P-C4'-P energy: -4.014 tors. eta vs tors. theta energy: -2.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 351 Temperature: 1.200000 Total energy: -28.810782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.810782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.810782 (E_RNA) where: Base-Base interactions energy: -7.446 where: short stacking energy: -7.446 Base-Backbone interact. energy: -0.099 local terms energy: -21.265149 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.203 flat angles P-C4'-P energy: -3.441 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: 8, replica: 6 ===================================== Write number: 351 Temperature: 1.250000 Total energy: -25.480523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.480523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.480523 (E_RNA) where: Base-Base interactions energy: -7.535 where: short stacking energy: -7.535 Base-Backbone interact. energy: -0.100 local terms energy: -17.845651 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -4.445 flat angles C4'-P-C4' energy: -4.382 flat angles P-C4'-P energy: -4.554 tors. eta vs tors. theta energy: 0.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 351 Temperature: 1.300000 Total energy: -28.197936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.197936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.197936 (E_RNA) where: Base-Base interactions energy: -7.012 where: short stacking energy: -7.012 Base-Backbone interact. energy: -0.000 local terms energy: -21.185428 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -5.141 flat angles P-C4'-P energy: -3.189 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: 10, replica: 4 ===================================== Write number: 351 Temperature: 1.350000 Total energy: -29.352091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.352091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.352091 (E_RNA) where: Base-Base interactions energy: -9.623 where: short stacking energy: -9.623 Base-Backbone interact. energy: -0.000 local terms energy: -19.729060 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -4.504 flat angles C4'-P-C4' energy: -4.622 flat angles P-C4'-P energy: -4.161 tors. eta vs tors. theta energy: -1.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 352 Temperature: 0.900000 Total energy: -37.321958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.321958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.321958 (E_RNA) where: Base-Base interactions energy: -14.818 where: short stacking energy: -14.818 Base-Backbone interact. energy: -0.000 local terms energy: -22.504017 where: bonds (distance) C4'-P energy: -4.795 bonds (distance) P-C4' energy: -5.333 flat angles C4'-P-C4' energy: -5.378 flat angles P-C4'-P energy: -4.437 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: 2, replica: 7 ===================================== Write number: 352 Temperature: 0.950000 Total energy: -27.174120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.174120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.174120 (E_RNA) where: Base-Base interactions energy: -8.666 where: short stacking energy: -8.666 Base-Backbone interact. energy: -0.005 local terms energy: -18.503702 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.750 flat angles P-C4'-P energy: -3.654 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: 3, replica: 1 ===================================== Write number: 352 Temperature: 1.000000 Total energy: -28.638099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.638099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.638099 (E_RNA) where: Base-Base interactions energy: -6.422 where: short stacking energy: -6.422 Base-Backbone interact. energy: -0.000 local terms energy: -22.216404 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.548 flat angles P-C4'-P energy: -4.158 tors. eta vs tors. theta energy: -2.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 352 Temperature: 1.050000 Total energy: -28.255969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.255969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.255969 (E_RNA) where: Base-Base interactions energy: -9.395 where: short stacking energy: -9.395 Base-Backbone interact. energy: -0.004 local terms energy: -18.857000 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -4.674 flat angles P-C4'-P energy: -2.054 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: 5, replica: 9 ===================================== Write number: 352 Temperature: 1.100000 Total energy: -27.764695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.764695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.764695 (E_RNA) where: Base-Base interactions energy: -11.459 where: short stacking energy: -11.459 Base-Backbone interact. energy: -0.095 local terms energy: -16.210507 where: bonds (distance) C4'-P energy: -3.723 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -3.539 flat angles P-C4'-P energy: -3.431 tors. eta vs tors. theta energy: 0.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 352 Temperature: 1.150000 Total energy: -26.385190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.385190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.385190 (E_RNA) where: Base-Base interactions energy: -5.793 where: short stacking energy: -5.793 Base-Backbone interact. energy: -0.001 local terms energy: -20.591496 where: bonds (distance) C4'-P energy: -4.547 bonds (distance) P-C4' energy: -5.995 flat angles C4'-P-C4' energy: -4.342 flat angles P-C4'-P energy: -3.873 tors. eta vs tors. theta energy: -1.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 352 Temperature: 1.200000 Total energy: -26.796143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.796143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.796143 (E_RNA) where: Base-Base interactions energy: -8.671 where: short stacking energy: -8.671 Base-Backbone interact. energy: -0.043 local terms energy: -18.082234 where: bonds (distance) C4'-P energy: -4.111 bonds (distance) P-C4' energy: -4.709 flat angles C4'-P-C4' energy: -4.927 flat angles P-C4'-P energy: -3.206 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: 8, replica: 3 ===================================== Write number: 352 Temperature: 1.250000 Total energy: -25.641658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.641658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.641658 (E_RNA) where: Base-Base interactions energy: -7.655 where: short stacking energy: -7.655 Base-Backbone interact. energy: -0.000 local terms energy: -17.986931 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -3.284 flat angles P-C4'-P energy: -1.102 tors. eta vs tors. theta energy: -2.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 352 Temperature: 1.300000 Total energy: -27.492486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.492486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.492486 (E_RNA) where: Base-Base interactions energy: -9.924 where: short stacking energy: -9.924 Base-Backbone interact. energy: -0.010 local terms energy: -17.558841 where: bonds (distance) C4'-P energy: -5.598 bonds (distance) P-C4' energy: -4.152 flat angles C4'-P-C4' energy: -3.880 flat angles P-C4'-P energy: -3.060 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: 10, replica: 2 ===================================== Write number: 352 Temperature: 1.350000 Total energy: -24.508771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.508771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.508771 (E_RNA) where: Base-Base interactions energy: -8.432 where: short stacking energy: -8.432 Base-Backbone interact. energy: -0.003 local terms energy: -16.073573 where: bonds (distance) C4'-P energy: -2.016 bonds (distance) P-C4' energy: -4.942 flat angles C4'-P-C4' energy: -4.797 flat angles P-C4'-P energy: -3.907 tors. eta vs tors. theta energy: -0.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 353 Temperature: 0.900000 Total energy: -32.785656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.785656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.785656 (E_RNA) where: Base-Base interactions energy: -12.628 where: short stacking energy: -12.628 Base-Backbone interact. energy: -0.001 local terms energy: -20.157187 where: bonds (distance) C4'-P energy: -4.637 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.443 flat angles P-C4'-P energy: -3.739 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: 2, replica: 1 ===================================== Write number: 353 Temperature: 0.950000 Total energy: -29.604005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.604005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.604005 (E_RNA) where: Base-Base interactions energy: -12.491 where: short stacking energy: -12.491 Base-Backbone interact. energy: -0.002 local terms energy: -17.110969 where: bonds (distance) C4'-P energy: -3.171 bonds (distance) P-C4' energy: -2.979 flat angles C4'-P-C4' energy: -4.742 flat angles P-C4'-P energy: -3.845 tors. eta vs tors. theta energy: -2.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 353 Temperature: 1.000000 Total energy: -38.127729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.127729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.127729 (E_RNA) where: Base-Base interactions energy: -12.213 where: short stacking energy: -12.213 Base-Backbone interact. energy: -0.000 local terms energy: -25.915050 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -3.671 flat angles P-C4'-P energy: -4.561 tors. eta vs tors. theta energy: -6.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 353 Temperature: 1.050000 Total energy: -32.282594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.282594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.282594 (E_RNA) where: Base-Base interactions energy: -10.464 where: short stacking energy: -10.464 Base-Backbone interact. energy: -0.000 local terms energy: -21.818617 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -4.126 flat angles P-C4'-P energy: -3.839 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: 5, replica: 5 ===================================== Write number: 353 Temperature: 1.100000 Total energy: -30.604928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.604928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.604928 (E_RNA) where: Base-Base interactions energy: -11.755 where: short stacking energy: -11.755 Base-Backbone interact. energy: -0.000 local terms energy: -18.849524 where: bonds (distance) C4'-P energy: -4.016 bonds (distance) P-C4' energy: -4.547 flat angles C4'-P-C4' energy: -4.966 flat angles P-C4'-P energy: -2.665 tors. eta vs tors. theta energy: -2.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 353 Temperature: 1.150000 Total energy: -26.765310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.765310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.765310 (E_RNA) where: Base-Base interactions energy: -8.205 where: short stacking energy: -8.205 Base-Backbone interact. energy: -0.102 local terms energy: -18.458041 where: bonds (distance) C4'-P energy: -4.744 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.658 flat angles P-C4'-P energy: -1.991 tors. eta vs tors. theta energy: -0.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 353 Temperature: 1.200000 Total energy: -27.721798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.721798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.721798 (E_RNA) where: Base-Base interactions energy: -11.094 where: short stacking energy: -11.094 Base-Backbone interact. energy: -0.000 local terms energy: -16.626905 where: bonds (distance) C4'-P energy: -1.718 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -5.062 flat angles P-C4'-P energy: -3.563 tors. eta vs tors. theta energy: -0.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 353 Temperature: 1.250000 Total energy: -24.507663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.507663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.507663 (E_RNA) where: Base-Base interactions energy: -6.980 where: short stacking energy: -6.980 Base-Backbone interact. energy: -0.002 local terms energy: -17.525207 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -3.532 flat angles P-C4'-P energy: -2.788 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: 3 ===================================== Write number: 353 Temperature: 1.300000 Total energy: -28.980128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.980128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.980128 (E_RNA) where: Base-Base interactions energy: -10.175 where: short stacking energy: -10.175 Base-Backbone interact. energy: -0.002 local terms energy: -18.803756 where: bonds (distance) C4'-P energy: -4.397 bonds (distance) P-C4' energy: -4.127 flat angles C4'-P-C4' energy: -4.275 flat angles P-C4'-P energy: -3.422 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: 10, replica: 2 ===================================== Write number: 353 Temperature: 1.350000 Total energy: -24.888163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.888163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.888163 (E_RNA) where: Base-Base interactions energy: -8.018 where: short stacking energy: -8.018 Base-Backbone interact. energy: -0.002 local terms energy: -16.868484 where: bonds (distance) C4'-P energy: -4.981 bonds (distance) P-C4' energy: -3.279 flat angles C4'-P-C4' energy: -3.721 flat angles P-C4'-P energy: -3.560 tors. eta vs tors. theta energy: -1.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 354 Temperature: 0.900000 Total energy: -32.199452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.199452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.199452 (E_RNA) where: Base-Base interactions energy: -11.014 where: short stacking energy: -11.014 Base-Backbone interact. energy: -0.014 local terms energy: -21.170941 where: bonds (distance) C4'-P energy: -4.563 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.284 flat angles P-C4'-P energy: -4.731 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: 2, replica: 1 ===================================== Write number: 354 Temperature: 0.950000 Total energy: -34.007110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.007110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.007110 (E_RNA) where: Base-Base interactions energy: -12.506 where: short stacking energy: -12.506 Base-Backbone interact. energy: -0.050 local terms energy: -21.450639 where: bonds (distance) C4'-P energy: -5.312 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.289 flat angles P-C4'-P energy: -4.309 tors. eta vs tors. theta energy: -1.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 354 Temperature: 1.000000 Total energy: -33.643807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.643807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.643807 (E_RNA) where: Base-Base interactions energy: -11.912 where: short stacking energy: -11.912 Base-Backbone interact. energy: -0.000 local terms energy: -21.731666 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -5.072 flat angles C4'-P-C4' energy: -5.392 flat angles P-C4'-P energy: -3.079 tors. eta vs tors. theta energy: -3.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 354 Temperature: 1.050000 Total energy: -30.824647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.824647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.824647 (E_RNA) where: Base-Base interactions energy: -11.074 where: short stacking energy: -11.074 Base-Backbone interact. energy: -0.016 local terms energy: -19.735040 where: bonds (distance) C4'-P energy: -4.617 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.524 flat angles P-C4'-P energy: -2.855 tors. eta vs tors. theta energy: -0.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 354 Temperature: 1.100000 Total energy: -33.024891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.024891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.024891 (E_RNA) where: Base-Base interactions energy: -11.529 where: short stacking energy: -11.529 Base-Backbone interact. energy: -0.156 local terms energy: -21.340379 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.759 flat angles C4'-P-C4' energy: -4.908 flat angles P-C4'-P energy: -1.928 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: 6, replica: 5 ===================================== Write number: 354 Temperature: 1.150000 Total energy: -28.517993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.517993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.517993 (E_RNA) where: Base-Base interactions energy: -8.348 where: short stacking energy: -8.348 Base-Backbone interact. energy: -0.001 local terms energy: -20.169377 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -3.311 flat angles C4'-P-C4' energy: -5.370 flat angles P-C4'-P energy: -2.414 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: 7, replica: 4 ===================================== Write number: 354 Temperature: 1.200000 Total energy: -30.253237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.253237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.253237 (E_RNA) where: Base-Base interactions energy: -11.207 where: short stacking energy: -11.207 Base-Backbone interact. energy: -0.000 local terms energy: -19.046127 where: bonds (distance) C4'-P energy: -3.756 bonds (distance) P-C4' energy: -5.516 flat angles C4'-P-C4' energy: -5.097 flat angles P-C4'-P energy: -4.054 tors. eta vs tors. theta energy: -0.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 354 Temperature: 1.250000 Total energy: -27.075287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.075287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.075287 (E_RNA) where: Base-Base interactions energy: -11.537 where: short stacking energy: -11.537 Base-Backbone interact. energy: -0.011 local terms energy: -15.527614 where: bonds (distance) C4'-P energy: -4.124 bonds (distance) P-C4' energy: -4.642 flat angles C4'-P-C4' energy: -4.401 flat angles P-C4'-P energy: -0.902 tors. eta vs tors. theta energy: -1.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 354 Temperature: 1.300000 Total energy: -25.503283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.503283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.503283 (E_RNA) where: Base-Base interactions energy: -6.163 where: short stacking energy: -6.163 Base-Backbone interact. energy: -0.533 local terms energy: -18.807121 where: bonds (distance) C4'-P energy: -4.645 bonds (distance) P-C4' energy: -4.534 flat angles C4'-P-C4' energy: -2.886 flat angles P-C4'-P energy: -4.561 tors. eta vs tors. theta energy: -2.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 354 Temperature: 1.350000 Total energy: -30.962186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.962186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.962186 (E_RNA) where: Base-Base interactions energy: -10.454 where: short stacking energy: -10.454 Base-Backbone interact. energy: -0.531 local terms energy: -19.977016 where: bonds (distance) C4'-P energy: -4.865 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.535 flat angles P-C4'-P energy: -3.726 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: 8 ===================================== Write number: 355 Temperature: 0.900000 Total energy: -36.120785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.120785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.120785 (E_RNA) where: Base-Base interactions energy: -15.137 where: short stacking energy: -15.137 Base-Backbone interact. energy: -0.000 local terms energy: -20.983465 where: bonds (distance) C4'-P energy: -4.563 bonds (distance) P-C4' energy: -4.672 flat angles C4'-P-C4' energy: -5.555 flat angles P-C4'-P energy: -3.433 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: 2, replica: 9 ===================================== Write number: 355 Temperature: 0.950000 Total energy: -33.606367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.606367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.606367 (E_RNA) where: Base-Base interactions energy: -11.277 where: short stacking energy: -11.277 Base-Backbone interact. energy: -0.001 local terms energy: -22.328546 where: bonds (distance) C4'-P energy: -4.911 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -5.348 flat angles P-C4'-P energy: -3.859 tors. eta vs tors. theta energy: -2.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 355 Temperature: 1.000000 Total energy: -36.668885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.668885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.668885 (E_RNA) where: Base-Base interactions energy: -16.379 where: short stacking energy: -16.379 Base-Backbone interact. energy: -0.000 local terms energy: -20.290103 where: bonds (distance) C4'-P energy: -4.555 bonds (distance) P-C4' energy: -4.448 flat angles C4'-P-C4' energy: -3.142 flat angles P-C4'-P energy: -3.706 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: 4, replica: 7 ===================================== Write number: 355 Temperature: 1.050000 Total energy: -26.289048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.289048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.289048 (E_RNA) where: Base-Base interactions energy: -7.556 where: short stacking energy: -7.556 Base-Backbone interact. energy: -0.091 local terms energy: -18.642197 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -4.410 flat angles C4'-P-C4' energy: -3.607 flat angles P-C4'-P energy: -3.451 tors. eta vs tors. theta energy: -1.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 355 Temperature: 1.100000 Total energy: -25.509201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.509201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.509201 (E_RNA) where: Base-Base interactions energy: -7.974 where: short stacking energy: -7.974 Base-Backbone interact. energy: -0.276 local terms energy: -17.259045 where: bonds (distance) C4'-P energy: -4.049 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -3.793 flat angles P-C4'-P energy: -3.755 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: 6, replica: 4 ===================================== Write number: 355 Temperature: 1.150000 Total energy: -30.614681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.614681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.614681 (E_RNA) where: Base-Base interactions energy: -9.530 where: short stacking energy: -9.530 Base-Backbone interact. energy: -0.011 local terms energy: -21.072898 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -4.678 flat angles C4'-P-C4' energy: -5.641 flat angles P-C4'-P energy: -2.691 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: 7, replica: 5 ===================================== Write number: 355 Temperature: 1.200000 Total energy: -31.698519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.698519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.698519 (E_RNA) where: Base-Base interactions energy: -7.780 where: short stacking energy: -7.780 Base-Backbone interact. energy: -0.000 local terms energy: -23.917973 where: bonds (distance) C4'-P energy: -4.529 bonds (distance) P-C4' energy: -4.642 flat angles C4'-P-C4' energy: -5.060 flat angles P-C4'-P energy: -4.336 tors. eta vs tors. theta energy: -5.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 355 Temperature: 1.250000 Total energy: -25.065860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.065860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.065860 (E_RNA) where: Base-Base interactions energy: -6.420 where: short stacking energy: -6.420 Base-Backbone interact. energy: -0.085 local terms energy: -18.561461 where: bonds (distance) C4'-P energy: -4.786 bonds (distance) P-C4' energy: -5.783 flat angles C4'-P-C4' energy: -4.272 flat angles P-C4'-P energy: -1.559 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: 9, replica: 10 ===================================== Write number: 355 Temperature: 1.300000 Total energy: -25.011062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.011062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.011062 (E_RNA) where: Base-Base interactions energy: -9.598 where: short stacking energy: -9.598 Base-Backbone interact. energy: -0.000 local terms energy: -15.413131 where: bonds (distance) C4'-P energy: -3.462 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -3.583 flat angles P-C4'-P energy: -0.858 tors. eta vs tors. theta energy: -2.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 355 Temperature: 1.350000 Total energy: -27.390507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.390507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.390507 (E_RNA) where: Base-Base interactions energy: -7.034 where: short stacking energy: -7.034 Base-Backbone interact. energy: -0.000 local terms energy: -20.356595 where: bonds (distance) C4'-P energy: -3.933 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -4.329 flat angles P-C4'-P energy: -2.617 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: 1, replica: 8 ===================================== Write number: 356 Temperature: 0.900000 Total energy: -35.767192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.767192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.767192 (E_RNA) where: Base-Base interactions energy: -11.189 where: short stacking energy: -11.189 Base-Backbone interact. energy: -0.000 local terms energy: -24.578425 where: bonds (distance) C4'-P energy: -5.126 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -3.149 flat angles P-C4'-P energy: -4.675 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: 2, replica: 9 ===================================== Write number: 356 Temperature: 0.950000 Total energy: -32.691025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.691025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.691025 (E_RNA) where: Base-Base interactions energy: -10.554 where: short stacking energy: -10.554 Base-Backbone interact. energy: -0.017 local terms energy: -22.119783 where: bonds (distance) C4'-P energy: -4.493 bonds (distance) P-C4' energy: -5.227 flat angles C4'-P-C4' energy: -5.751 flat angles P-C4'-P energy: -3.739 tors. eta vs tors. theta energy: -2.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 356 Temperature: 1.000000 Total energy: -29.130681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.130681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.130681 (E_RNA) where: Base-Base interactions energy: -12.360 where: short stacking energy: -12.360 Base-Backbone interact. energy: 0.269 local terms energy: -17.039825 where: bonds (distance) C4'-P energy: -3.652 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.668 flat angles P-C4'-P energy: -2.997 tors. eta vs tors. theta energy: 0.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 356 Temperature: 1.050000 Total energy: -33.620172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.620172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.620172 (E_RNA) where: Base-Base interactions energy: -11.600 where: short stacking energy: -11.600 Base-Backbone interact. energy: -0.063 local terms energy: -21.957834 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -3.789 flat angles C4'-P-C4' energy: -5.097 flat angles P-C4'-P energy: -3.619 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: 5, replica: 4 ===================================== Write number: 356 Temperature: 1.100000 Total energy: -31.928765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.928765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.928765 (E_RNA) where: Base-Base interactions energy: -7.892 where: short stacking energy: -7.892 Base-Backbone interact. energy: -0.000 local terms energy: -24.036743 where: bonds (distance) C4'-P energy: -5.283 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -5.033 flat angles P-C4'-P energy: -3.655 tors. eta vs tors. theta energy: -4.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 356 Temperature: 1.150000 Total energy: -38.670625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.670625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.670625 (E_RNA) where: Base-Base interactions energy: -15.713 where: short stacking energy: -15.713 Base-Backbone interact. energy: -0.000 local terms energy: -22.957544 where: bonds (distance) C4'-P energy: -4.459 bonds (distance) P-C4' energy: -5.516 flat angles C4'-P-C4' energy: -5.330 flat angles P-C4'-P energy: -4.343 tors. eta vs tors. theta energy: -3.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 356 Temperature: 1.200000 Total energy: -27.193129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.193129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.193129 (E_RNA) where: Base-Base interactions energy: -7.614 where: short stacking energy: -7.614 Base-Backbone interact. energy: -0.035 local terms energy: -19.544708 where: bonds (distance) C4'-P energy: -4.397 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -5.223 flat angles P-C4'-P energy: -3.504 tors. eta vs tors. theta energy: -0.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 356 Temperature: 1.250000 Total energy: -25.854745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.854745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.854745 (E_RNA) where: Base-Base interactions energy: -5.871 where: short stacking energy: -5.871 Base-Backbone interact. energy: -0.000 local terms energy: -19.983784 where: bonds (distance) C4'-P energy: -4.716 bonds (distance) P-C4' energy: -4.998 flat angles C4'-P-C4' energy: -4.506 flat angles P-C4'-P energy: -1.951 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: 9, replica: 10 ===================================== Write number: 356 Temperature: 1.300000 Total energy: -26.388425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.388425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.388425 (E_RNA) where: Base-Base interactions energy: -10.975 where: short stacking energy: -10.975 Base-Backbone interact. energy: -0.006 local terms energy: -15.407563 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -2.882 flat angles C4'-P-C4' energy: -3.089 flat angles P-C4'-P energy: -3.659 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: 3 ===================================== Write number: 356 Temperature: 1.350000 Total energy: -24.218379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.218379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.218379 (E_RNA) where: Base-Base interactions energy: -4.671 where: short stacking energy: -4.671 Base-Backbone interact. energy: -0.004 local terms energy: -19.543754 where: bonds (distance) C4'-P energy: -4.219 bonds (distance) P-C4' energy: -5.547 flat angles C4'-P-C4' energy: -4.941 flat angles P-C4'-P energy: -2.872 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: 1, replica: 8 ===================================== Write number: 357 Temperature: 0.900000 Total energy: -32.196765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.196765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.196765 (E_RNA) where: Base-Base interactions energy: -11.422 where: short stacking energy: -11.422 Base-Backbone interact. energy: -0.013 local terms energy: -20.761565 where: bonds (distance) C4'-P energy: -2.621 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -5.539 flat angles P-C4'-P energy: -3.145 tors. eta vs tors. theta energy: -3.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 357 Temperature: 0.950000 Total energy: -33.957808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.957808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.957808 (E_RNA) where: Base-Base interactions energy: -11.367 where: short stacking energy: -11.367 Base-Backbone interact. energy: -0.081 local terms energy: -22.509832 where: bonds (distance) C4'-P energy: -5.275 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.622 flat angles P-C4'-P energy: -3.897 tors. eta vs tors. theta energy: -1.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 357 Temperature: 1.000000 Total energy: -33.693401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.693401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.693401 (E_RNA) where: Base-Base interactions energy: -14.413 where: short stacking energy: -14.413 Base-Backbone interact. energy: -0.000 local terms energy: -19.280067 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -4.646 flat angles C4'-P-C4' energy: -4.849 flat angles P-C4'-P energy: -2.671 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: 4, replica: 4 ===================================== Write number: 357 Temperature: 1.050000 Total energy: -32.675322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.675322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.675322 (E_RNA) where: Base-Base interactions energy: -11.263 where: short stacking energy: -11.263 Base-Backbone interact. energy: -0.213 local terms energy: -21.199164 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -4.815 flat angles P-C4'-P energy: -3.035 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: 5, replica: 1 ===================================== Write number: 357 Temperature: 1.100000 Total energy: -31.457302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.457302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.457302 (E_RNA) where: Base-Base interactions energy: -10.916 where: short stacking energy: -10.916 Base-Backbone interact. energy: -0.016 local terms energy: -20.525674 where: bonds (distance) C4'-P energy: -4.485 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.593 flat angles P-C4'-P energy: -3.423 tors. eta vs tors. theta energy: -1.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 357 Temperature: 1.150000 Total energy: -28.346735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.346735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.346735 (E_RNA) where: Base-Base interactions energy: -7.302 where: short stacking energy: -7.302 Base-Backbone interact. energy: -0.000 local terms energy: -21.044397 where: bonds (distance) C4'-P energy: -4.227 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.361 flat angles P-C4'-P energy: -4.018 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: 7, replica: 6 ===================================== Write number: 357 Temperature: 1.200000 Total energy: -25.909047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.909047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.909047 (E_RNA) where: Base-Base interactions energy: -6.657 where: short stacking energy: -6.657 Base-Backbone interact. energy: -0.007 local terms energy: -19.245354 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -5.231 flat angles C4'-P-C4' energy: -4.338 flat angles P-C4'-P energy: -2.829 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: 8, replica: 10 ===================================== Write number: 357 Temperature: 1.250000 Total energy: -26.962201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.962201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.962201 (E_RNA) where: Base-Base interactions energy: -10.264 where: short stacking energy: -10.264 Base-Backbone interact. energy: -0.000 local terms energy: -16.698443 where: bonds (distance) C4'-P energy: 0.185 bonds (distance) P-C4' energy: -5.569 flat angles C4'-P-C4' energy: -4.978 flat angles P-C4'-P energy: -3.540 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: 9, replica: 5 ===================================== Write number: 357 Temperature: 1.300000 Total energy: -30.652106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.652106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.652106 (E_RNA) where: Base-Base interactions energy: -8.843 where: short stacking energy: -8.843 Base-Backbone interact. energy: -0.000 local terms energy: -21.809443 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -4.441 flat angles P-C4'-P energy: -3.973 tors. eta vs tors. theta energy: -2.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 357 Temperature: 1.350000 Total energy: -24.564584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.564584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.564584 (E_RNA) where: Base-Base interactions energy: -7.643 where: short stacking energy: -7.643 Base-Backbone interact. energy: -0.000 local terms energy: -16.921130 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -4.814 flat angles C4'-P-C4' energy: -4.533 flat angles P-C4'-P energy: -0.704 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: 1, replica: 7 ===================================== Write number: 358 Temperature: 0.900000 Total energy: -31.790498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.790498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.790498 (E_RNA) where: Base-Base interactions energy: -11.643 where: short stacking energy: -11.643 Base-Backbone interact. energy: -0.001 local terms energy: -20.146107 where: bonds (distance) C4'-P energy: -4.679 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -4.427 flat angles P-C4'-P energy: -3.196 tors. eta vs tors. theta energy: -2.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 358 Temperature: 0.950000 Total energy: -32.924626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.924626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.924626 (E_RNA) where: Base-Base interactions energy: -11.768 where: short stacking energy: -11.768 Base-Backbone interact. energy: -0.001 local terms energy: -21.155742 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -5.509 flat angles P-C4'-P energy: -4.341 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: 3, replica: 4 ===================================== Write number: 358 Temperature: 1.000000 Total energy: -30.247997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.247997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.247997 (E_RNA) where: Base-Base interactions energy: -12.614 where: short stacking energy: -12.614 Base-Backbone interact. energy: -0.095 local terms energy: -17.539510 where: bonds (distance) C4'-P energy: -2.771 bonds (distance) P-C4' energy: -4.448 flat angles C4'-P-C4' energy: -4.444 flat angles P-C4'-P energy: -4.391 tors. eta vs tors. theta energy: -1.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 358 Temperature: 1.050000 Total energy: -30.270537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.270537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.270537 (E_RNA) where: Base-Base interactions energy: -10.751 where: short stacking energy: -10.751 Base-Backbone interact. energy: -0.000 local terms energy: -19.519303 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -4.373 flat angles P-C4'-P energy: -1.829 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: 5, replica: 2 ===================================== Write number: 358 Temperature: 1.100000 Total energy: -34.065444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.065444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.065444 (E_RNA) where: Base-Base interactions energy: -12.113 where: short stacking energy: -12.113 Base-Backbone interact. energy: -0.000 local terms energy: -21.952322 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -5.048 flat angles P-C4'-P energy: -2.064 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: 6, replica: 1 ===================================== Write number: 358 Temperature: 1.150000 Total energy: -28.975973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.975973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.975973 (E_RNA) where: Base-Base interactions energy: -8.667 where: short stacking energy: -8.667 Base-Backbone interact. energy: -0.000 local terms energy: -20.309423 where: bonds (distance) C4'-P energy: -3.644 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -5.156 flat angles P-C4'-P energy: -2.671 tors. eta vs tors. theta energy: -3.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 358 Temperature: 1.200000 Total energy: -28.397066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.397066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.397066 (E_RNA) where: Base-Base interactions energy: -10.330 where: short stacking energy: -10.330 Base-Backbone interact. energy: -0.002 local terms energy: -18.065257 where: bonds (distance) C4'-P energy: -4.423 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -4.155 flat angles P-C4'-P energy: -3.977 tors. eta vs tors. theta energy: 0.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 358 Temperature: 1.250000 Total energy: -27.230073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.230073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.230073 (E_RNA) where: Base-Base interactions energy: -9.769 where: short stacking energy: -9.769 Base-Backbone interact. energy: -0.000 local terms energy: -17.460590 where: bonds (distance) C4'-P energy: -4.004 bonds (distance) P-C4' energy: -3.544 flat angles C4'-P-C4' energy: -4.715 flat angles P-C4'-P energy: -4.457 tors. eta vs tors. theta energy: -0.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 358 Temperature: 1.300000 Total energy: -28.671286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.671286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.671286 (E_RNA) where: Base-Base interactions energy: -9.985 where: short stacking energy: -9.985 Base-Backbone interact. energy: -0.001 local terms energy: -18.684973 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -5.333 flat angles C4'-P-C4' energy: -3.272 flat angles P-C4'-P energy: -3.709 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: 10, replica: 5 ===================================== Write number: 358 Temperature: 1.350000 Total energy: -26.310726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.310726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.310726 (E_RNA) where: Base-Base interactions energy: -8.369 where: short stacking energy: -8.369 Base-Backbone interact. energy: 0.208 local terms energy: -18.149787 where: bonds (distance) C4'-P energy: -4.778 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.886 flat angles P-C4'-P energy: -0.892 tors. eta vs tors. theta energy: -1.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 359 Temperature: 0.900000 Total energy: -34.495779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.495779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.495779 (E_RNA) where: Base-Base interactions energy: -12.529 where: short stacking energy: -12.529 Base-Backbone interact. energy: -0.000 local terms energy: -21.966522 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.547 flat angles C4'-P-C4' energy: -5.853 flat angles P-C4'-P energy: -2.020 tors. eta vs tors. theta energy: -3.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 359 Temperature: 0.950000 Total energy: -35.388118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.388118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.388118 (E_RNA) where: Base-Base interactions energy: -14.840 where: short stacking energy: -14.840 Base-Backbone interact. energy: -0.000 local terms energy: -20.547953 where: bonds (distance) C4'-P energy: -4.219 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.553 flat angles P-C4'-P energy: -2.800 tors. eta vs tors. theta energy: -2.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 359 Temperature: 1.000000 Total energy: -38.225151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.225151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.225151 (E_RNA) where: Base-Base interactions energy: -14.494 where: short stacking energy: -14.494 Base-Backbone interact. energy: -0.002 local terms energy: -23.728970 where: bonds (distance) C4'-P energy: -5.275 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -5.524 flat angles P-C4'-P energy: -4.665 tors. eta vs tors. theta energy: -2.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 359 Temperature: 1.050000 Total energy: -32.416555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.416555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.416555 (E_RNA) where: Base-Base interactions energy: -10.386 where: short stacking energy: -10.386 Base-Backbone interact. energy: -0.000 local terms energy: -22.030215 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.783 flat angles C4'-P-C4' energy: -4.957 flat angles P-C4'-P energy: -4.420 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: 5, replica: 9 ===================================== Write number: 359 Temperature: 1.100000 Total energy: -29.228077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.228077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.228077 (E_RNA) where: Base-Base interactions energy: -9.940 where: short stacking energy: -9.940 Base-Backbone interact. energy: -0.018 local terms energy: -19.269733 where: bonds (distance) C4'-P energy: -4.245 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -5.815 flat angles P-C4'-P energy: -3.407 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: 10 ===================================== Write number: 359 Temperature: 1.150000 Total energy: -27.963878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.963878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.963878 (E_RNA) where: Base-Base interactions energy: -9.437 where: short stacking energy: -9.437 Base-Backbone interact. energy: -0.000 local terms energy: -18.526602 where: bonds (distance) C4'-P energy: -4.181 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -3.868 flat angles P-C4'-P energy: -2.951 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: 1 ===================================== Write number: 359 Temperature: 1.200000 Total energy: -26.639101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.639101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.639101 (E_RNA) where: Base-Base interactions energy: -8.212 where: short stacking energy: -8.212 Base-Backbone interact. energy: -0.008 local terms energy: -18.419164 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.579 flat angles P-C4'-P energy: -2.494 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: 8, replica: 3 ===================================== Write number: 359 Temperature: 1.250000 Total energy: -26.520853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.520853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.520853 (E_RNA) where: Base-Base interactions energy: -7.492 where: short stacking energy: -7.492 Base-Backbone interact. energy: -0.129 local terms energy: -18.900250 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -5.533 flat angles P-C4'-P energy: -1.688 tors. eta vs tors. theta energy: -0.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 359 Temperature: 1.300000 Total energy: -28.530016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.530016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.530016 (E_RNA) where: Base-Base interactions energy: -7.886 where: short stacking energy: -7.886 Base-Backbone interact. energy: -0.000 local terms energy: -20.643523 where: bonds (distance) C4'-P energy: -5.159 bonds (distance) P-C4' energy: -5.286 flat angles C4'-P-C4' energy: -4.989 flat angles P-C4'-P energy: -2.170 tors. eta vs tors. theta energy: -3.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 359 Temperature: 1.350000 Total energy: -25.461248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.461248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.461248 (E_RNA) where: Base-Base interactions energy: -5.327 where: short stacking energy: -5.327 Base-Backbone interact. energy: -0.013 local terms energy: -20.120826 where: bonds (distance) C4'-P energy: -4.120 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -3.885 flat angles P-C4'-P energy: -3.352 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: 1, replica: 7 ===================================== Write number: 360 Temperature: 0.900000 Total energy: -33.754313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.754313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.754313 (E_RNA) where: Base-Base interactions energy: -11.985 where: short stacking energy: -11.985 Base-Backbone interact. energy: -0.052 local terms energy: -21.717563 where: bonds (distance) C4'-P energy: -4.451 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -5.609 flat angles P-C4'-P energy: -3.510 tors. eta vs tors. theta energy: -2.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 360 Temperature: 0.950000 Total energy: -34.228399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.228399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.228399 (E_RNA) where: Base-Base interactions energy: -12.453 where: short stacking energy: -12.453 Base-Backbone interact. energy: -0.005 local terms energy: -21.770600 where: bonds (distance) C4'-P energy: -4.840 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -5.202 flat angles P-C4'-P energy: -3.460 tors. eta vs tors. theta energy: -2.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 360 Temperature: 1.000000 Total energy: -29.986362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.986362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.986362 (E_RNA) where: Base-Base interactions energy: -9.073 where: short stacking energy: -9.073 Base-Backbone interact. energy: -0.000 local terms energy: -20.913577 where: bonds (distance) C4'-P energy: -5.027 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -5.295 flat angles P-C4'-P energy: -2.645 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: 8 ===================================== Write number: 360 Temperature: 1.050000 Total energy: -30.430563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.430563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.430563 (E_RNA) where: Base-Base interactions energy: -12.605 where: short stacking energy: -12.605 Base-Backbone interact. energy: -0.102 local terms energy: -17.724384 where: bonds (distance) C4'-P energy: -2.915 bonds (distance) P-C4' energy: -4.712 flat angles C4'-P-C4' energy: -4.957 flat angles P-C4'-P energy: -3.436 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: 5, replica: 10 ===================================== Write number: 360 Temperature: 1.100000 Total energy: -26.088253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.088253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.088253 (E_RNA) where: Base-Base interactions energy: -8.239 where: short stacking energy: -8.239 Base-Backbone interact. energy: -0.138 local terms energy: -17.712023 where: bonds (distance) C4'-P energy: -4.538 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.263 flat angles P-C4'-P energy: -3.116 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: 6, replica: 9 ===================================== Write number: 360 Temperature: 1.150000 Total energy: -26.386228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.386228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.386228 (E_RNA) where: Base-Base interactions energy: -7.771 where: short stacking energy: -7.771 Base-Backbone interact. energy: -0.018 local terms energy: -18.597131 where: bonds (distance) C4'-P energy: -4.563 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -5.116 flat angles P-C4'-P energy: -4.415 tors. eta vs tors. theta energy: 0.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 360 Temperature: 1.200000 Total energy: -26.930380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.930380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.930380 (E_RNA) where: Base-Base interactions energy: -7.312 where: short stacking energy: -7.312 Base-Backbone interact. energy: -0.000 local terms energy: -19.617968 where: bonds (distance) C4'-P energy: -4.493 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -5.334 flat angles P-C4'-P energy: -3.867 tors. eta vs tors. theta energy: 0.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 360 Temperature: 1.250000 Total energy: -28.912326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.912326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.912326 (E_RNA) where: Base-Base interactions energy: -10.015 where: short stacking energy: -10.015 Base-Backbone interact. energy: -0.001 local terms energy: -18.896550 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -2.374 flat angles C4'-P-C4' energy: -5.256 flat angles P-C4'-P energy: -2.906 tors. eta vs tors. theta energy: -3.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 360 Temperature: 1.300000 Total energy: -25.070829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.070829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.070829 (E_RNA) where: Base-Base interactions energy: -5.760 where: short stacking energy: -5.760 Base-Backbone interact. energy: -0.000 local terms energy: -19.310373 where: bonds (distance) C4'-P energy: -4.397 bonds (distance) P-C4' energy: -5.234 flat angles C4'-P-C4' energy: -1.588 flat angles P-C4'-P energy: -3.173 tors. eta vs tors. theta energy: -4.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 360 Temperature: 1.350000 Total energy: -28.405493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.405493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.405493 (E_RNA) where: Base-Base interactions energy: -8.518 where: short stacking energy: -8.518 Base-Backbone interact. energy: -0.000 local terms energy: -19.887511 where: bonds (distance) C4'-P energy: -2.861 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.103 flat angles P-C4'-P energy: -3.388 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: 1, replica: 7 ===================================== Write number: 361 Temperature: 0.900000 Total energy: -35.129607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.129607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.129607 (E_RNA) where: Base-Base interactions energy: -12.276 where: short stacking energy: -12.276 Base-Backbone interact. energy: -0.006 local terms energy: -22.848155 where: bonds (distance) C4'-P energy: -4.637 bonds (distance) P-C4' energy: -5.469 flat angles C4'-P-C4' energy: -4.780 flat angles P-C4'-P energy: -3.205 tors. eta vs tors. theta energy: -4.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 361 Temperature: 0.950000 Total energy: -30.222662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.222662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.222662 (E_RNA) where: Base-Base interactions energy: -8.459 where: short stacking energy: -8.459 Base-Backbone interact. energy: -0.001 local terms energy: -21.762420 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -3.725 flat angles P-C4'-P energy: -4.419 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: 3, replica: 4 ===================================== Write number: 361 Temperature: 1.000000 Total energy: -33.401779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.401779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.401779 (E_RNA) where: Base-Base interactions energy: -10.622 where: short stacking energy: -10.622 Base-Backbone interact. energy: -0.000 local terms energy: -22.779443 where: bonds (distance) C4'-P energy: -3.818 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -5.279 flat angles P-C4'-P energy: -4.377 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: 4, replica: 10 ===================================== Write number: 361 Temperature: 1.050000 Total energy: -33.371824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.371824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.371824 (E_RNA) where: Base-Base interactions energy: -12.264 where: short stacking energy: -12.264 Base-Backbone interact. energy: -0.088 local terms energy: -21.019798 where: bonds (distance) C4'-P energy: -3.118 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -3.425 flat angles P-C4'-P energy: -4.208 tors. eta vs tors. theta energy: -4.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 361 Temperature: 1.100000 Total energy: -24.959673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.959673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.959673 (E_RNA) where: Base-Base interactions energy: -7.987 where: short stacking energy: -7.987 Base-Backbone interact. energy: -0.098 local terms energy: -16.873943 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -3.241 flat angles C4'-P-C4' energy: -4.842 flat angles P-C4'-P energy: -3.136 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: 6, replica: 1 ===================================== Write number: 361 Temperature: 1.150000 Total energy: -29.976249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.976249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.976249 (E_RNA) where: Base-Base interactions energy: -10.752 where: short stacking energy: -10.752 Base-Backbone interact. energy: -0.000 local terms energy: -19.224335 where: bonds (distance) C4'-P energy: -4.778 bonds (distance) P-C4' energy: -5.234 flat angles C4'-P-C4' energy: -3.674 flat angles P-C4'-P energy: -4.514 tors. eta vs tors. theta energy: -1.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 361 Temperature: 1.200000 Total energy: -23.245155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.245155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.245155 (E_RNA) where: Base-Base interactions energy: -4.074 where: short stacking energy: -4.074 Base-Backbone interact. energy: -0.047 local terms energy: -19.124227 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.640 flat angles P-C4'-P energy: -3.765 tors. eta vs tors. theta energy: 0.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 361 Temperature: 1.250000 Total energy: -25.741291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.741291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.741291 (E_RNA) where: Base-Base interactions energy: -6.546 where: short stacking energy: -6.546 Base-Backbone interact. energy: -0.040 local terms energy: -19.154735 where: bonds (distance) C4'-P energy: -4.173 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.184 flat angles P-C4'-P energy: -3.287 tors. eta vs tors. theta energy: -1.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 361 Temperature: 1.300000 Total energy: -29.395802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.395802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.395802 (E_RNA) where: Base-Base interactions energy: -7.845 where: short stacking energy: -7.845 Base-Backbone interact. energy: -0.003 local terms energy: -21.547834 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.731 flat angles P-C4'-P energy: -4.619 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: 6 ===================================== Write number: 361 Temperature: 1.350000 Total energy: -23.194178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.194178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.194178 (E_RNA) where: Base-Base interactions energy: -4.542 where: short stacking energy: -4.542 Base-Backbone interact. energy: -0.001 local terms energy: -18.651060 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.554 flat angles P-C4'-P energy: -4.259 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: 2 ===================================== Write number: 362 Temperature: 0.900000 Total energy: -33.611240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.611240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.611240 (E_RNA) where: Base-Base interactions energy: -12.637 where: short stacking energy: -12.637 Base-Backbone interact. energy: -0.005 local terms energy: -20.968667 where: bonds (distance) C4'-P energy: -3.462 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.166 flat angles P-C4'-P energy: -3.944 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: 2, replica: 7 ===================================== Write number: 362 Temperature: 0.950000 Total energy: -33.974287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.974287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.974287 (E_RNA) where: Base-Base interactions energy: -12.771 where: short stacking energy: -12.771 Base-Backbone interact. energy: -0.000 local terms energy: -21.203592 where: bonds (distance) C4'-P energy: -5.498 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -4.462 flat angles P-C4'-P energy: -2.219 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: 3, replica: 10 ===================================== Write number: 362 Temperature: 1.000000 Total energy: -33.670620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.670620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.670620 (E_RNA) where: Base-Base interactions energy: -10.567 where: short stacking energy: -10.567 Base-Backbone interact. energy: -0.000 local terms energy: -23.103701 where: bonds (distance) C4'-P energy: -5.126 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.597 flat angles P-C4'-P energy: -4.188 tors. eta vs tors. theta energy: -2.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 362 Temperature: 1.050000 Total energy: -32.594685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.594685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.594685 (E_RNA) where: Base-Base interactions energy: -12.482 where: short stacking energy: -12.482 Base-Backbone interact. energy: -0.000 local terms energy: -20.112978 where: bonds (distance) C4'-P energy: -5.018 bonds (distance) P-C4' energy: -3.215 flat angles C4'-P-C4' energy: -3.870 flat angles P-C4'-P energy: -4.080 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: 5, replica: 1 ===================================== Write number: 362 Temperature: 1.100000 Total energy: -31.186555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.186555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.186555 (E_RNA) where: Base-Base interactions energy: -10.597 where: short stacking energy: -10.597 Base-Backbone interact. energy: 0.442 local terms energy: -21.032256 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -4.761 flat angles C4'-P-C4' energy: -5.466 flat angles P-C4'-P energy: -3.509 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: 6, replica: 8 ===================================== Write number: 362 Temperature: 1.150000 Total energy: -30.632531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.632531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.632531 (E_RNA) where: Base-Base interactions energy: -10.457 where: short stacking energy: -10.457 Base-Backbone interact. energy: -0.000 local terms energy: -20.174933 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -3.544 flat angles C4'-P-C4' energy: -4.117 flat angles P-C4'-P energy: -3.556 tors. eta vs tors. theta energy: -3.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 362 Temperature: 1.200000 Total energy: -27.562600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.562600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.562600 (E_RNA) where: Base-Base interactions energy: -7.540 where: short stacking energy: -7.540 Base-Backbone interact. energy: -0.000 local terms energy: -20.022402 where: bonds (distance) C4'-P energy: -3.607 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -2.801 flat angles P-C4'-P energy: -3.892 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: 8, replica: 9 ===================================== Write number: 362 Temperature: 1.250000 Total energy: -24.226827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.226827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.226827 (E_RNA) where: Base-Base interactions energy: -7.885 where: short stacking energy: -7.885 Base-Backbone interact. energy: -0.000 local terms energy: -16.341216 where: bonds (distance) C4'-P energy: -4.421 bonds (distance) P-C4' energy: -4.195 flat angles C4'-P-C4' energy: -4.356 flat angles P-C4'-P energy: -1.909 tors. eta vs tors. theta energy: -1.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 362 Temperature: 1.300000 Total energy: -25.739657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.739657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.739657 (E_RNA) where: Base-Base interactions energy: -6.351 where: short stacking energy: -6.351 Base-Backbone interact. energy: -0.000 local terms energy: -19.388652 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -3.277 flat angles C4'-P-C4' energy: -3.589 flat angles P-C4'-P energy: -2.968 tors. eta vs tors. theta energy: -4.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 362 Temperature: 1.350000 Total energy: -24.561197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.561197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.561197 (E_RNA) where: Base-Base interactions energy: -5.054 where: short stacking energy: -5.054 Base-Backbone interact. energy: -0.349 local terms energy: -19.158445 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -5.246 flat angles P-C4'-P energy: -0.449 tors. eta vs tors. theta energy: -2.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 363 Temperature: 0.900000 Total energy: -35.770320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.770320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.770320 (E_RNA) where: Base-Base interactions energy: -15.377 where: short stacking energy: -15.377 Base-Backbone interact. energy: -0.004 local terms energy: -20.390077 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.065 flat angles C4'-P-C4' energy: -4.415 flat angles P-C4'-P energy: -1.953 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: 2, replica: 10 ===================================== Write number: 363 Temperature: 0.950000 Total energy: -40.040622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.040622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.040622 (E_RNA) where: Base-Base interactions energy: -14.496 where: short stacking energy: -14.509 Base-Backbone interact. energy: -0.017 local terms energy: -25.527103 where: bonds (distance) C4'-P energy: -5.126 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.359 flat angles P-C4'-P energy: -4.445 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: 3, replica: 7 ===================================== Write number: 363 Temperature: 1.000000 Total energy: -25.856651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.856651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.856651 (E_RNA) where: Base-Base interactions energy: -7.603 where: short stacking energy: -7.603 Base-Backbone interact. energy: -0.011 local terms energy: -18.243091 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -3.216 flat angles P-C4'-P energy: -3.394 tors. eta vs tors. theta energy: -0.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 363 Temperature: 1.050000 Total energy: -33.472840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.472840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.472840 (E_RNA) where: Base-Base interactions energy: -14.797 where: short stacking energy: -14.797 Base-Backbone interact. energy: -0.000 local terms energy: -18.676200 where: bonds (distance) C4'-P energy: -5.159 bonds (distance) P-C4' energy: -3.142 flat angles C4'-P-C4' energy: -5.068 flat angles P-C4'-P energy: -1.641 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: 5, replica: 4 ===================================== Write number: 363 Temperature: 1.100000 Total energy: -33.093725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.093725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.093725 (E_RNA) where: Base-Base interactions energy: -10.826 where: short stacking energy: -10.826 Base-Backbone interact. energy: -0.000 local terms energy: -22.267574 where: bonds (distance) C4'-P energy: -4.405 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.067 flat angles P-C4'-P energy: -3.253 tors. eta vs tors. theta energy: -3.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 363 Temperature: 1.150000 Total energy: -28.278751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.278751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.278751 (E_RNA) where: Base-Base interactions energy: -8.606 where: short stacking energy: -8.606 Base-Backbone interact. energy: -0.001 local terms energy: -19.671311 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.924 flat angles P-C4'-P energy: -4.554 tors. eta vs tors. theta energy: 0.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 363 Temperature: 1.200000 Total energy: -26.157923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.157923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.157923 (E_RNA) where: Base-Base interactions energy: -8.195 where: short stacking energy: -8.195 Base-Backbone interact. energy: -0.000 local terms energy: -17.963032 where: bonds (distance) C4'-P energy: -3.843 bonds (distance) P-C4' energy: -4.476 flat angles C4'-P-C4' energy: -4.110 flat angles P-C4'-P energy: -3.145 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: 8, replica: 6 ===================================== Write number: 363 Temperature: 1.250000 Total energy: -26.187371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.187371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.187371 (E_RNA) where: Base-Base interactions energy: -7.210 where: short stacking energy: -7.210 Base-Backbone interact. energy: -0.000 local terms energy: -18.977162 where: bonds (distance) C4'-P energy: -3.524 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -4.251 flat angles P-C4'-P energy: -3.652 tors. eta vs tors. theta energy: -1.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 363 Temperature: 1.300000 Total energy: -32.614668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.614668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.614668 (E_RNA) where: Base-Base interactions energy: -13.086 where: short stacking energy: -13.086 Base-Backbone interact. energy: -0.000 local terms energy: -19.529111 where: bonds (distance) C4'-P energy: -3.668 bonds (distance) P-C4' energy: -3.249 flat angles C4'-P-C4' energy: -4.918 flat angles P-C4'-P energy: -3.488 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: 10, replica: 3 ===================================== Write number: 363 Temperature: 1.350000 Total energy: -26.144814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.144814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.144814 (E_RNA) where: Base-Base interactions energy: -8.016 where: short stacking energy: -8.016 Base-Backbone interact. energy: -0.053 local terms energy: -18.076324 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -4.814 flat angles C4'-P-C4' energy: -5.014 flat angles P-C4'-P energy: -3.409 tors. eta vs tors. theta energy: 0.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 364 Temperature: 0.900000 Total energy: -34.925554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.925554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.925554 (E_RNA) where: Base-Base interactions energy: -11.964 where: short stacking energy: -11.964 Base-Backbone interact. energy: -0.037 local terms energy: -22.924260 where: bonds (distance) C4'-P energy: -3.659 bonds (distance) P-C4' energy: -4.835 flat angles C4'-P-C4' energy: -5.098 flat angles P-C4'-P energy: -4.767 tors. eta vs tors. theta energy: -4.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 364 Temperature: 0.950000 Total energy: -32.409969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.409969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.409969 (E_RNA) where: Base-Base interactions energy: -11.304 where: short stacking energy: -11.304 Base-Backbone interact. energy: -0.022 local terms energy: -21.084609 where: bonds (distance) C4'-P energy: -4.343 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.781 flat angles P-C4'-P energy: -3.045 tors. eta vs tors. theta energy: -3.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 364 Temperature: 1.000000 Total energy: -36.553469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.553469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.553469 (E_RNA) where: Base-Base interactions energy: -15.116 where: short stacking energy: -15.116 Base-Backbone interact. energy: -0.013 local terms energy: -21.424935 where: bonds (distance) C4'-P energy: -5.598 bonds (distance) P-C4' energy: -5.551 flat angles C4'-P-C4' energy: -3.164 flat angles P-C4'-P energy: -3.855 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: 4, replica: 7 ===================================== Write number: 364 Temperature: 1.050000 Total energy: -30.095789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.095789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.095789 (E_RNA) where: Base-Base interactions energy: -9.554 where: short stacking energy: -9.554 Base-Backbone interact. energy: -0.000 local terms energy: -20.541839 where: bonds (distance) C4'-P energy: -4.679 bonds (distance) P-C4' energy: -4.706 flat angles C4'-P-C4' energy: -4.727 flat angles P-C4'-P energy: -3.513 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: 5 ===================================== Write number: 364 Temperature: 1.100000 Total energy: -27.722855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.722855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.722855 (E_RNA) where: Base-Base interactions energy: -10.228 where: short stacking energy: -10.228 Base-Backbone interact. energy: -0.003 local terms energy: -17.492023 where: bonds (distance) C4'-P energy: -4.911 bonds (distance) P-C4' energy: -4.702 flat angles C4'-P-C4' energy: -2.767 flat angles P-C4'-P energy: -3.112 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: 4 ===================================== Write number: 364 Temperature: 1.150000 Total energy: -26.398216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.398216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.398216 (E_RNA) where: Base-Base interactions energy: -7.298 where: short stacking energy: -7.298 Base-Backbone interact. energy: -0.001 local terms energy: -19.099259 where: bonds (distance) C4'-P energy: -4.244 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -3.859 flat angles P-C4'-P energy: -2.492 tors. eta vs tors. theta energy: -2.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 364 Temperature: 1.200000 Total energy: -29.697800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.697800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.697800 (E_RNA) where: Base-Base interactions energy: -11.397 where: short stacking energy: -11.397 Base-Backbone interact. energy: -0.000 local terms energy: -18.300693 where: bonds (distance) C4'-P energy: -3.508 bonds (distance) P-C4' energy: -4.678 flat angles C4'-P-C4' energy: -3.425 flat angles P-C4'-P energy: -4.061 tors. eta vs tors. theta energy: -2.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 364 Temperature: 1.250000 Total energy: -28.993744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.993744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.993744 (E_RNA) where: Base-Base interactions energy: -12.393 where: short stacking energy: -12.393 Base-Backbone interact. energy: -0.000 local terms energy: -16.600683 where: bonds (distance) C4'-P energy: -3.900 bonds (distance) P-C4' energy: -5.473 flat angles C4'-P-C4' energy: -3.983 flat angles P-C4'-P energy: -2.046 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: 9, replica: 3 ===================================== Write number: 364 Temperature: 1.300000 Total energy: -27.050995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.050995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.050995 (E_RNA) where: Base-Base interactions energy: -6.873 where: short stacking energy: -6.873 Base-Backbone interact. energy: -0.097 local terms energy: -20.081556 where: bonds (distance) C4'-P energy: -4.335 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -5.272 flat angles P-C4'-P energy: -3.550 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: 9 ===================================== Write number: 364 Temperature: 1.350000 Total energy: -26.932008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.932008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.932008 (E_RNA) where: Base-Base interactions energy: -7.135 where: short stacking energy: -7.135 Base-Backbone interact. energy: -0.001 local terms energy: -19.796178 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -3.654 flat angles P-C4'-P energy: -3.678 tors. eta vs tors. theta energy: -2.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 365 Temperature: 0.900000 Total energy: -37.051857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.051857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.051857 (E_RNA) where: Base-Base interactions energy: -14.323 where: short stacking energy: -14.323 Base-Backbone interact. energy: -0.000 local terms energy: -22.728747 where: bonds (distance) C4'-P energy: -5.598 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.745 flat angles P-C4'-P energy: -2.522 tors. eta vs tors. theta energy: -3.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 365 Temperature: 0.950000 Total energy: -30.185567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.185567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.185567 (E_RNA) where: Base-Base interactions energy: -12.547 where: short stacking energy: -12.547 Base-Backbone interact. energy: -0.002 local terms energy: -17.636987 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -4.237 flat angles C4'-P-C4' energy: -3.983 flat angles P-C4'-P energy: -3.014 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: 3, replica: 2 ===================================== Write number: 365 Temperature: 1.000000 Total energy: -33.582783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.582783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.582783 (E_RNA) where: Base-Base interactions energy: -11.112 where: short stacking energy: -11.112 Base-Backbone interact. energy: -0.000 local terms energy: -22.470950 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -4.812 flat angles P-C4'-P energy: -4.363 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: 4, replica: 5 ===================================== Write number: 365 Temperature: 1.050000 Total energy: -33.921982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.921982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.921982 (E_RNA) where: Base-Base interactions energy: -9.655 where: short stacking energy: -9.655 Base-Backbone interact. energy: -0.000 local terms energy: -24.267390 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -5.450 flat angles P-C4'-P energy: -3.877 tors. eta vs tors. theta energy: -3.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 365 Temperature: 1.100000 Total energy: -26.462774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.462774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.462774 (E_RNA) where: Base-Base interactions energy: -8.392 where: short stacking energy: -8.392 Base-Backbone interact. energy: -0.100 local terms energy: -17.971630 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -3.934 flat angles C4'-P-C4' energy: -5.274 flat angles P-C4'-P energy: -3.344 tors. eta vs tors. theta energy: -0.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 365 Temperature: 1.150000 Total energy: -28.153117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.153117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.153117 (E_RNA) where: Base-Base interactions energy: -7.343 where: short stacking energy: -7.343 Base-Backbone interact. energy: -0.006 local terms energy: -20.804262 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -4.672 flat angles C4'-P-C4' energy: -4.159 flat angles P-C4'-P energy: -4.353 tors. eta vs tors. theta energy: -2.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 365 Temperature: 1.200000 Total energy: -26.109487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.109487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.109487 (E_RNA) where: Base-Base interactions energy: -8.442 where: short stacking energy: -8.442 Base-Backbone interact. energy: -0.000 local terms energy: -17.666912 where: bonds (distance) C4'-P energy: -4.120 bonds (distance) P-C4' energy: -4.603 flat angles C4'-P-C4' energy: -5.470 flat angles P-C4'-P energy: -2.272 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: 8, replica: 3 ===================================== Write number: 365 Temperature: 1.250000 Total energy: -33.571059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.571059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.571059 (E_RNA) where: Base-Base interactions energy: -13.484 where: short stacking energy: -13.484 Base-Backbone interact. energy: -0.000 local terms energy: -20.086712 where: bonds (distance) C4'-P energy: -4.628 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -3.280 flat angles P-C4'-P energy: -1.352 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: 9, replica: 8 ===================================== Write number: 365 Temperature: 1.300000 Total energy: -23.649799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.649799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.649799 (E_RNA) where: Base-Base interactions energy: -4.126 where: short stacking energy: -4.220 Base-Backbone interact. energy: -0.178 local terms energy: -19.346211 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -5.283 flat angles C4'-P-C4' energy: -4.660 flat angles P-C4'-P energy: -3.722 tors. eta vs tors. theta energy: -0.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 365 Temperature: 1.350000 Total energy: -24.975566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.975566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.975566 (E_RNA) where: Base-Base interactions energy: -7.347 where: short stacking energy: -7.347 Base-Backbone interact. energy: -0.001 local terms energy: -17.628276 where: bonds (distance) C4'-P energy: -3.553 bonds (distance) P-C4' energy: -3.987 flat angles C4'-P-C4' energy: -4.288 flat angles P-C4'-P energy: -3.916 tors. eta vs tors. theta energy: -1.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 366 Temperature: 0.900000 Total energy: -33.120167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.120167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.120167 (E_RNA) where: Base-Base interactions energy: -11.956 where: short stacking energy: -11.956 Base-Backbone interact. energy: -0.000 local terms energy: -21.164001 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -3.579 flat angles P-C4'-P energy: -4.078 tors. eta vs tors. theta energy: -2.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 366 Temperature: 0.950000 Total energy: -34.212698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.212698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.212698 (E_RNA) where: Base-Base interactions energy: -11.134 where: short stacking energy: -11.134 Base-Backbone interact. energy: -0.000 local terms energy: -23.078477 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -5.590 flat angles P-C4'-P energy: -2.912 tors. eta vs tors. theta energy: -4.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 366 Temperature: 1.000000 Total energy: -30.608596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.608596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.608596 (E_RNA) where: Base-Base interactions energy: -8.141 where: short stacking energy: -8.141 Base-Backbone interact. energy: -0.000 local terms energy: -22.467457 where: bonds (distance) C4'-P energy: -4.343 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.459 flat angles P-C4'-P energy: -3.874 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: 4, replica: 2 ===================================== Write number: 366 Temperature: 1.050000 Total energy: -30.655170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.655170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.655170 (E_RNA) where: Base-Base interactions energy: -11.786 where: short stacking energy: -11.786 Base-Backbone interact. energy: -0.001 local terms energy: -18.868692 where: bonds (distance) C4'-P energy: -3.925 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -5.126 flat angles P-C4'-P energy: -1.595 tors. eta vs tors. theta energy: -2.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 366 Temperature: 1.100000 Total energy: -33.063915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.063915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.063915 (E_RNA) where: Base-Base interactions energy: -12.471 where: short stacking energy: -12.471 Base-Backbone interact. energy: -0.000 local terms energy: -20.592739 where: bonds (distance) C4'-P energy: -4.004 bonds (distance) P-C4' energy: -4.163 flat angles C4'-P-C4' energy: -3.885 flat angles P-C4'-P energy: -4.275 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: 6, replica: 7 ===================================== Write number: 366 Temperature: 1.150000 Total energy: -29.748808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.748808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.748808 (E_RNA) where: Base-Base interactions energy: -12.222 where: short stacking energy: -12.222 Base-Backbone interact. energy: -0.001 local terms energy: -17.525570 where: bonds (distance) C4'-P energy: -4.356 bonds (distance) P-C4' energy: -3.115 flat angles C4'-P-C4' energy: -4.691 flat angles P-C4'-P energy: -3.338 tors. eta vs tors. theta energy: -2.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 366 Temperature: 1.200000 Total energy: -28.098394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.098394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.098394 (E_RNA) where: Base-Base interactions energy: -8.502 where: short stacking energy: -8.502 Base-Backbone interact. energy: -0.089 local terms energy: -19.507715 where: bonds (distance) C4'-P energy: -4.609 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -2.472 flat angles P-C4'-P energy: -4.154 tors. eta vs tors. theta energy: -2.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 366 Temperature: 1.250000 Total energy: -25.714077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.714077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.714077 (E_RNA) where: Base-Base interactions energy: -11.279 where: short stacking energy: -11.279 Base-Backbone interact. energy: -0.131 local terms energy: -14.303925 where: bonds (distance) C4'-P energy: -4.628 bonds (distance) P-C4' energy: -4.215 flat angles C4'-P-C4' energy: -4.654 flat angles P-C4'-P energy: -0.208 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: 9 ===================================== Write number: 366 Temperature: 1.300000 Total energy: -29.754615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.754615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.754615 (E_RNA) where: Base-Base interactions energy: -10.085 where: short stacking energy: -10.085 Base-Backbone interact. energy: -0.005 local terms energy: -19.664643 where: bonds (distance) C4'-P energy: -4.600 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -3.853 flat angles P-C4'-P energy: -3.648 tors. eta vs tors. theta energy: -1.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 366 Temperature: 1.350000 Total energy: -23.978111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.978111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.978111 (E_RNA) where: Base-Base interactions energy: -8.503 where: short stacking energy: -8.503 Base-Backbone interact. energy: -0.064 local terms energy: -15.411061 where: bonds (distance) C4'-P energy: -4.529 bonds (distance) P-C4' energy: -3.793 flat angles C4'-P-C4' energy: -1.017 flat angles P-C4'-P energy: -2.895 tors. eta vs tors. theta energy: -3.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 367 Temperature: 0.900000 Total energy: -34.434307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.434307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.434307 (E_RNA) where: Base-Base interactions energy: -12.337 where: short stacking energy: -12.337 Base-Backbone interact. energy: -0.050 local terms energy: -22.047053 where: bonds (distance) C4'-P energy: -4.165 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -5.642 flat angles P-C4'-P energy: -3.909 tors. eta vs tors. theta energy: -3.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 367 Temperature: 0.950000 Total energy: -32.770845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.770845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.770845 (E_RNA) where: Base-Base interactions energy: -11.879 where: short stacking energy: -11.879 Base-Backbone interact. energy: -0.000 local terms energy: -20.891507 where: bonds (distance) C4'-P energy: -3.809 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.525 flat angles P-C4'-P energy: -2.596 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: 3, replica: 10 ===================================== Write number: 367 Temperature: 1.000000 Total energy: -31.779569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.779569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.779569 (E_RNA) where: Base-Base interactions energy: -10.863 where: short stacking energy: -10.863 Base-Backbone interact. energy: -0.006 local terms energy: -20.910687 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -3.185 flat angles P-C4'-P energy: -3.785 tors. eta vs tors. theta energy: -2.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 367 Temperature: 1.050000 Total energy: -30.206952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.206952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.206952 (E_RNA) where: Base-Base interactions energy: -12.091 where: short stacking energy: -12.091 Base-Backbone interact. energy: -0.003 local terms energy: -18.113164 where: bonds (distance) C4'-P energy: -3.775 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -3.048 flat angles P-C4'-P energy: -3.596 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: 5, replica: 2 ===================================== Write number: 367 Temperature: 1.100000 Total energy: -30.591779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.591779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.591779 (E_RNA) where: Base-Base interactions energy: -11.291 where: short stacking energy: -11.291 Base-Backbone interact. energy: -0.000 local terms energy: -19.300515 where: bonds (distance) C4'-P energy: -3.462 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.450 flat angles P-C4'-P energy: -1.914 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: 6, replica: 3 ===================================== Write number: 367 Temperature: 1.150000 Total energy: -31.281445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.281445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.281445 (E_RNA) where: Base-Base interactions energy: -14.724 where: short stacking energy: -14.724 Base-Backbone interact. energy: -0.000 local terms energy: -16.556472 where: bonds (distance) C4'-P energy: -1.599 bonds (distance) P-C4' energy: -4.526 flat angles C4'-P-C4' energy: -3.494 flat angles P-C4'-P energy: -2.350 tors. eta vs tors. theta energy: -4.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 367 Temperature: 1.200000 Total energy: -31.145741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.145741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.145741 (E_RNA) where: Base-Base interactions energy: -15.528 where: short stacking energy: -15.528 Base-Backbone interact. energy: -0.000 local terms energy: -15.617136 where: bonds (distance) C4'-P energy: -4.149 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -4.155 flat angles P-C4'-P energy: -0.905 tors. eta vs tors. theta energy: -1.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 367 Temperature: 1.250000 Total energy: -26.088292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.088292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.088292 (E_RNA) where: Base-Base interactions energy: -5.317 where: short stacking energy: -5.317 Base-Backbone interact. energy: -0.028 local terms energy: -20.743675 where: bonds (distance) C4'-P energy: -4.509 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -5.130 flat angles P-C4'-P energy: -3.926 tors. eta vs tors. theta energy: -2.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 367 Temperature: 1.300000 Total energy: -26.066212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.066212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.066212 (E_RNA) where: Base-Base interactions energy: -8.177 where: short stacking energy: -8.177 Base-Backbone interact. energy: -0.031 local terms energy: -17.858195 where: bonds (distance) C4'-P energy: -4.725 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.482 flat angles P-C4'-P energy: -3.275 tors. eta vs tors. theta energy: 0.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 367 Temperature: 1.350000 Total energy: -23.477889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.477889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.477889 (E_RNA) where: Base-Base interactions energy: -8.692 where: short stacking energy: -8.692 Base-Backbone interact. energy: -0.089 local terms energy: -14.696864 where: bonds (distance) C4'-P energy: -1.483 bonds (distance) P-C4' energy: -2.582 flat angles C4'-P-C4' energy: -4.871 flat angles P-C4'-P energy: -3.061 tors. eta vs tors. theta energy: -2.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 368 Temperature: 0.900000 Total energy: -39.648259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.648259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.648259 (E_RNA) where: Base-Base interactions energy: -15.647 where: short stacking energy: -15.647 Base-Backbone interact. energy: -0.000 local terms energy: -24.001297 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -3.877 flat angles P-C4'-P energy: -4.105 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: 2, replica: 1 ===================================== Write number: 368 Temperature: 0.950000 Total energy: -34.032156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.032156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.032156 (E_RNA) where: Base-Base interactions energy: -12.762 where: short stacking energy: -12.762 Base-Backbone interact. energy: -0.000 local terms energy: -21.270379 where: bonds (distance) C4'-P energy: -4.555 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.941 flat angles P-C4'-P energy: -4.428 tors. eta vs tors. theta energy: -2.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 368 Temperature: 1.000000 Total energy: -32.234312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.234312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.234312 (E_RNA) where: Base-Base interactions energy: -12.010 where: short stacking energy: -12.010 Base-Backbone interact. energy: -0.002 local terms energy: -20.222507 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -5.029 flat angles C4'-P-C4' energy: -4.098 flat angles P-C4'-P energy: -3.811 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: 4, replica: 10 ===================================== Write number: 368 Temperature: 1.050000 Total energy: -29.742984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.742984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.742984 (E_RNA) where: Base-Base interactions energy: -9.959 where: short stacking energy: -9.959 Base-Backbone interact. energy: -0.000 local terms energy: -19.783845 where: bonds (distance) C4'-P energy: -5.010 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -3.526 flat angles P-C4'-P energy: -3.633 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: 5, replica: 3 ===================================== Write number: 368 Temperature: 1.100000 Total energy: -29.230636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.230636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.230636 (E_RNA) where: Base-Base interactions energy: -10.140 where: short stacking energy: -10.140 Base-Backbone interact. energy: -0.010 local terms energy: -19.080593 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -5.333 flat angles C4'-P-C4' energy: -4.393 flat angles P-C4'-P energy: -1.756 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: 2 ===================================== Write number: 368 Temperature: 1.150000 Total energy: -28.108644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.108644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.108644 (E_RNA) where: Base-Base interactions energy: -12.147 where: short stacking energy: -12.147 Base-Backbone interact. energy: 0.070 local terms energy: -16.031307 where: bonds (distance) C4'-P energy: -4.111 bonds (distance) P-C4' energy: -4.215 flat angles C4'-P-C4' energy: -3.208 flat angles P-C4'-P energy: -3.565 tors. eta vs tors. theta energy: -0.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 368 Temperature: 1.200000 Total energy: -29.237589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.237589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.237589 (E_RNA) where: Base-Base interactions energy: -14.400 where: short stacking energy: -14.400 Base-Backbone interact. energy: -0.001 local terms energy: -14.835994 where: bonds (distance) C4'-P energy: -2.505 bonds (distance) P-C4' energy: -3.497 flat angles C4'-P-C4' energy: -3.514 flat angles P-C4'-P energy: -3.450 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: 8, replica: 7 ===================================== Write number: 368 Temperature: 1.250000 Total energy: -24.646070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.646070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.646070 (E_RNA) where: Base-Base interactions energy: -6.792 where: short stacking energy: -6.792 Base-Backbone interact. energy: -0.009 local terms energy: -17.844766 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -4.314 flat angles C4'-P-C4' energy: -4.921 flat angles P-C4'-P energy: -1.674 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: 9, replica: 8 ===================================== Write number: 368 Temperature: 1.300000 Total energy: -29.368754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.368754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.368754 (E_RNA) where: Base-Base interactions energy: -10.275 where: short stacking energy: -10.275 Base-Backbone interact. energy: -0.000 local terms energy: -19.093361 where: bonds (distance) C4'-P energy: -3.482 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -5.536 flat angles P-C4'-P energy: -2.342 tors. eta vs tors. theta energy: -2.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 368 Temperature: 1.350000 Total energy: -26.568958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.568958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.568958 (E_RNA) where: Base-Base interactions energy: -8.108 where: short stacking energy: -8.108 Base-Backbone interact. energy: -0.100 local terms energy: -18.360871 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -4.476 flat angles C4'-P-C4' energy: -3.628 flat angles P-C4'-P energy: -3.922 tors. eta vs tors. theta energy: -1.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 369 Temperature: 0.900000 Total energy: -34.259540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.259540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.259540 (E_RNA) where: Base-Base interactions energy: -14.804 where: short stacking energy: -14.804 Base-Backbone interact. energy: -0.074 local terms energy: -19.381225 where: bonds (distance) C4'-P energy: -4.111 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -5.556 flat angles P-C4'-P energy: -1.887 tors. eta vs tors. theta energy: -2.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 369 Temperature: 0.950000 Total energy: -32.860322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.860322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.860322 (E_RNA) where: Base-Base interactions energy: -12.912 where: short stacking energy: -12.912 Base-Backbone interact. energy: -0.036 local terms energy: -19.912005 where: bonds (distance) C4'-P energy: -3.313 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.362 flat angles P-C4'-P energy: -4.682 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: 3, replica: 1 ===================================== Write number: 369 Temperature: 1.000000 Total energy: -31.766066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.766066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.766066 (E_RNA) where: Base-Base interactions energy: -8.950 where: short stacking energy: -8.950 Base-Backbone interact. energy: -0.000 local terms energy: -22.816562 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -3.326 flat angles P-C4'-P energy: -4.334 tors. eta vs tors. theta energy: -4.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 369 Temperature: 1.050000 Total energy: -36.385876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.385876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.385876 (E_RNA) where: Base-Base interactions energy: -13.737 where: short stacking energy: -13.737 Base-Backbone interact. energy: -0.000 local terms energy: -22.648649 where: bonds (distance) C4'-P energy: -5.126 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -4.592 flat angles P-C4'-P energy: -3.537 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: 5, replica: 3 ===================================== Write number: 369 Temperature: 1.100000 Total energy: -28.279044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.279044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.279044 (E_RNA) where: Base-Base interactions energy: -10.483 where: short stacking energy: -10.483 Base-Backbone interact. energy: -0.000 local terms energy: -17.795551 where: bonds (distance) C4'-P energy: -4.865 bonds (distance) P-C4' energy: -5.473 flat angles C4'-P-C4' energy: -2.010 flat angles P-C4'-P energy: -1.946 tors. eta vs tors. theta energy: -3.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 369 Temperature: 1.150000 Total energy: -31.002965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.002965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.002965 (E_RNA) where: Base-Base interactions energy: -10.244 where: short stacking energy: -10.244 Base-Backbone interact. energy: -0.017 local terms energy: -20.741926 where: bonds (distance) C4'-P energy: -4.289 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.125 flat angles P-C4'-P energy: -3.115 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: 7, replica: 2 ===================================== Write number: 369 Temperature: 1.200000 Total energy: -30.775931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.775931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.775931 (E_RNA) where: Base-Base interactions energy: -12.367 where: short stacking energy: -12.367 Base-Backbone interact. energy: -0.049 local terms energy: -18.359232 where: bonds (distance) C4'-P energy: -2.328 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -5.487 flat angles P-C4'-P energy: -2.598 tors. eta vs tors. theta energy: -2.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 369 Temperature: 1.250000 Total energy: -27.052841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.052841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.052841 (E_RNA) where: Base-Base interactions energy: -8.133 where: short stacking energy: -8.133 Base-Backbone interact. energy: -0.002 local terms energy: -18.917861 where: bonds (distance) C4'-P energy: -3.537 bonds (distance) P-C4' energy: -4.678 flat angles C4'-P-C4' energy: -3.514 flat angles P-C4'-P energy: -3.120 tors. eta vs tors. theta energy: -4.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 369 Temperature: 1.300000 Total energy: -26.158078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.158078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.158078 (E_RNA) where: Base-Base interactions energy: -11.048 where: short stacking energy: -11.048 Base-Backbone interact. energy: -0.000 local terms energy: -15.109657 where: bonds (distance) C4'-P energy: -3.723 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -2.800 flat angles P-C4'-P energy: -2.809 tors. eta vs tors. theta energy: -0.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 369 Temperature: 1.350000 Total energy: -24.029275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.029275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.029275 (E_RNA) where: Base-Base interactions energy: -6.948 where: short stacking energy: -6.948 Base-Backbone interact. energy: -0.001 local terms energy: -17.080271 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -4.026 flat angles C4'-P-C4' energy: -4.191 flat angles P-C4'-P energy: -1.658 tors. eta vs tors. theta energy: -2.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 370 Temperature: 0.900000 Total energy: -34.609704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.609704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.609704 (E_RNA) where: Base-Base interactions energy: -11.768 where: short stacking energy: -11.768 Base-Backbone interact. energy: -0.001 local terms energy: -22.841665 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -5.889 flat angles P-C4'-P energy: -4.141 tors. eta vs tors. theta energy: -1.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 370 Temperature: 0.950000 Total energy: -35.300709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.300709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.300709 (E_RNA) where: Base-Base interactions energy: -15.265 where: short stacking energy: -15.265 Base-Backbone interact. energy: -0.001 local terms energy: -20.034784 where: bonds (distance) C4'-P energy: -5.018 bonds (distance) P-C4' energy: -3.669 flat angles C4'-P-C4' energy: -5.278 flat angles P-C4'-P energy: -4.206 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: 3, replica: 10 ===================================== Write number: 370 Temperature: 1.000000 Total energy: -34.427526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.427526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.427526 (E_RNA) where: Base-Base interactions energy: -16.313 where: short stacking energy: -16.313 Base-Backbone interact. energy: -0.023 local terms energy: -18.091735 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -5.305 flat angles C4'-P-C4' energy: -4.340 flat angles P-C4'-P energy: -2.450 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: 4, replica: 1 ===================================== Write number: 370 Temperature: 1.050000 Total energy: -31.327902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.327902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.327902 (E_RNA) where: Base-Base interactions energy: -13.313 where: short stacking energy: -13.313 Base-Backbone interact. energy: -0.001 local terms energy: -18.014477 where: bonds (distance) C4'-P energy: -2.799 bonds (distance) P-C4' energy: -4.240 flat angles C4'-P-C4' energy: -4.863 flat angles P-C4'-P energy: -4.050 tors. eta vs tors. theta energy: -2.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 370 Temperature: 1.100000 Total energy: -27.464093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.464093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.464093 (E_RNA) where: Base-Base interactions energy: -9.968 where: short stacking energy: -9.968 Base-Backbone interact. energy: -0.030 local terms energy: -17.465887 where: bonds (distance) C4'-P energy: -5.188 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -2.578 flat angles P-C4'-P energy: -2.470 tors. eta vs tors. theta energy: -1.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 370 Temperature: 1.150000 Total energy: -29.850516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.850516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.850516 (E_RNA) where: Base-Base interactions energy: -12.046 where: short stacking energy: -12.046 Base-Backbone interact. energy: -0.000 local terms energy: -17.804293 where: bonds (distance) C4'-P energy: -2.994 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -4.136 flat angles P-C4'-P energy: -3.941 tors. eta vs tors. theta energy: -1.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 370 Temperature: 1.200000 Total energy: -30.169550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.169550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.169550 (E_RNA) where: Base-Base interactions energy: -11.586 where: short stacking energy: -11.586 Base-Backbone interact. energy: -0.001 local terms energy: -18.582538 where: bonds (distance) C4'-P energy: -3.570 bonds (distance) P-C4' energy: -4.439 flat angles C4'-P-C4' energy: -3.897 flat angles P-C4'-P energy: -3.211 tors. eta vs tors. theta energy: -3.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 370 Temperature: 1.250000 Total energy: -24.464801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.464801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.464801 (E_RNA) where: Base-Base interactions energy: -6.090 where: short stacking energy: -6.090 Base-Backbone interact. energy: -0.085 local terms energy: -18.289011 where: bonds (distance) C4'-P energy: -3.925 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -4.993 flat angles P-C4'-P energy: -2.882 tors. eta vs tors. theta energy: -0.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 370 Temperature: 1.300000 Total energy: -30.063389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.063389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.063389 (E_RNA) where: Base-Base interactions energy: -12.096 where: short stacking energy: -12.096 Base-Backbone interact. energy: -0.000 local terms energy: -17.967473 where: bonds (distance) C4'-P energy: -4.343 bonds (distance) P-C4' energy: -4.879 flat angles C4'-P-C4' energy: -2.793 flat angles P-C4'-P energy: -3.498 tors. eta vs tors. theta energy: -2.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 370 Temperature: 1.350000 Total energy: -29.895242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.895242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.895242 (E_RNA) where: Base-Base interactions energy: -10.235 where: short stacking energy: -10.235 Base-Backbone interact. energy: -0.098 local terms energy: -19.562447 where: bonds (distance) C4'-P energy: -4.157 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -5.342 flat angles P-C4'-P energy: -3.227 tors. eta vs tors. theta energy: -1.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 371 Temperature: 0.900000 Total energy: -32.179459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.179459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.179459 (E_RNA) where: Base-Base interactions energy: -13.503 where: short stacking energy: -13.503 Base-Backbone interact. energy: -0.002 local terms energy: -18.674477 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -5.148 flat angles P-C4'-P energy: -1.963 tors. eta vs tors. theta energy: -0.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 371 Temperature: 0.950000 Total energy: -36.045003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.045003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.045003 (E_RNA) where: Base-Base interactions energy: -15.396 where: short stacking energy: -15.396 Base-Backbone interact. energy: -0.000 local terms energy: -20.649030 where: bonds (distance) C4'-P energy: -2.869 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -5.205 flat angles P-C4'-P energy: -4.411 tors. eta vs tors. theta energy: -3.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 371 Temperature: 1.000000 Total energy: -34.432162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.432162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.432162 (E_RNA) where: Base-Base interactions energy: -12.536 where: short stacking energy: -12.536 Base-Backbone interact. energy: -0.029 local terms energy: -21.866952 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -5.128 flat angles P-C4'-P energy: -3.575 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: 4, replica: 6 ===================================== Write number: 371 Temperature: 1.050000 Total energy: -32.477137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.477137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.477137 (E_RNA) where: Base-Base interactions energy: -11.223 where: short stacking energy: -11.223 Base-Backbone interact. energy: -0.002 local terms energy: -21.252335 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.465 flat angles P-C4'-P energy: -2.847 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: 5, replica: 1 ===================================== Write number: 371 Temperature: 1.100000 Total energy: -29.382333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.382333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.382333 (E_RNA) where: Base-Base interactions energy: -8.021 where: short stacking energy: -8.021 Base-Backbone interact. energy: -0.000 local terms energy: -21.360823 where: bonds (distance) C4'-P energy: -5.498 bonds (distance) P-C4' energy: -4.994 flat angles C4'-P-C4' energy: -4.884 flat angles P-C4'-P energy: -2.858 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: 6, replica: 8 ===================================== Write number: 371 Temperature: 1.150000 Total energy: -31.032827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.032827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.032827 (E_RNA) where: Base-Base interactions energy: -12.116 where: short stacking energy: -12.116 Base-Backbone interact. energy: -0.001 local terms energy: -18.915842 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -5.547 flat angles C4'-P-C4' energy: -3.319 flat angles P-C4'-P energy: -4.091 tors. eta vs tors. theta energy: -0.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 371 Temperature: 1.200000 Total energy: -26.665200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.665200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.665200 (E_RNA) where: Base-Base interactions energy: -8.349 where: short stacking energy: -8.349 Base-Backbone interact. energy: -0.129 local terms energy: -18.187128 where: bonds (distance) C4'-P energy: -4.369 bonds (distance) P-C4' energy: -5.551 flat angles C4'-P-C4' energy: -4.977 flat angles P-C4'-P energy: -2.756 tors. eta vs tors. theta energy: -0.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 371 Temperature: 1.250000 Total energy: -26.301642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.301642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.301642 (E_RNA) where: Base-Base interactions energy: -9.007 where: short stacking energy: -9.007 Base-Backbone interact. energy: -0.011 local terms energy: -17.283981 where: bonds (distance) C4'-P energy: -4.270 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -3.970 flat angles P-C4'-P energy: -0.696 tors. eta vs tors. theta energy: -3.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 371 Temperature: 1.300000 Total energy: -26.901355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.901355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.901355 (E_RNA) where: Base-Base interactions energy: -6.435 where: short stacking energy: -6.435 Base-Backbone interact. energy: -0.000 local terms energy: -20.466343 where: bonds (distance) C4'-P energy: -4.744 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -5.028 flat angles P-C4'-P energy: -2.744 tors. eta vs tors. theta energy: -2.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 371 Temperature: 1.350000 Total energy: -25.201781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.201781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.201781 (E_RNA) where: Base-Base interactions energy: -5.938 where: short stacking energy: -5.938 Base-Backbone interact. energy: -0.009 local terms energy: -19.255721 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.286 flat angles C4'-P-C4' energy: -3.571 flat angles P-C4'-P energy: -3.919 tors. eta vs tors. theta energy: -1.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 372 Temperature: 0.900000 Total energy: -36.786167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.786167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.786167 (E_RNA) where: Base-Base interactions energy: -15.157 where: short stacking energy: -15.157 Base-Backbone interact. energy: -0.002 local terms energy: -21.626817 where: bonds (distance) C4'-P energy: -4.335 bonds (distance) P-C4' energy: -5.202 flat angles C4'-P-C4' energy: -4.590 flat angles P-C4'-P energy: -4.257 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: 4 ===================================== Write number: 372 Temperature: 0.950000 Total energy: -38.829315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.829315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.829315 (E_RNA) where: Base-Base interactions energy: -11.931 where: short stacking energy: -11.931 Base-Backbone interact. energy: -0.000 local terms energy: -26.898472 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.626 flat angles P-C4'-P energy: -4.789 tors. eta vs tors. theta energy: -4.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 372 Temperature: 1.000000 Total energy: -31.311449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.311449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.311449 (E_RNA) where: Base-Base interactions energy: -10.083 where: short stacking energy: -10.083 Base-Backbone interact. energy: -0.000 local terms energy: -21.228611 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.850 flat angles P-C4'-P energy: -2.101 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: 4, replica: 10 ===================================== Write number: 372 Temperature: 1.050000 Total energy: -28.778377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.778377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.778377 (E_RNA) where: Base-Base interactions energy: -9.131 where: short stacking energy: -9.131 Base-Backbone interact. energy: -0.081 local terms energy: -19.567063 where: bonds (distance) C4'-P energy: -4.744 bonds (distance) P-C4' energy: -4.807 flat angles C4'-P-C4' energy: -4.345 flat angles P-C4'-P energy: -3.202 tors. eta vs tors. theta energy: -2.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 372 Temperature: 1.100000 Total energy: -27.472744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.472744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.472744 (E_RNA) where: Base-Base interactions energy: -7.477 where: short stacking energy: -7.477 Base-Backbone interact. energy: -0.002 local terms energy: -19.993764 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -5.227 flat angles C4'-P-C4' energy: -4.940 flat angles P-C4'-P energy: -4.190 tors. eta vs tors. theta energy: -0.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 372 Temperature: 1.150000 Total energy: -28.558155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.558155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.558155 (E_RNA) where: Base-Base interactions energy: -11.392 where: short stacking energy: -11.392 Base-Backbone interact. energy: -0.001 local terms energy: -17.165585 where: bonds (distance) C4'-P energy: -3.925 bonds (distance) P-C4' energy: -4.681 flat angles C4'-P-C4' energy: -4.026 flat angles P-C4'-P energy: -3.968 tors. eta vs tors. theta energy: -0.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 372 Temperature: 1.200000 Total energy: -31.739916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.739916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.739916 (E_RNA) where: Base-Base interactions energy: -11.841 where: short stacking energy: -11.841 Base-Backbone interact. energy: -0.000 local terms energy: -19.899003 where: bonds (distance) C4'-P energy: -3.661 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.014 flat angles P-C4'-P energy: -2.971 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: 3 ===================================== Write number: 372 Temperature: 1.250000 Total energy: -31.881452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.881452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.881452 (E_RNA) where: Base-Base interactions energy: -11.821 where: short stacking energy: -11.821 Base-Backbone interact. energy: 0.178 local terms energy: -20.238524 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -3.761 flat angles C4'-P-C4' energy: -5.221 flat angles P-C4'-P energy: -2.771 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: 9, replica: 7 ===================================== Write number: 372 Temperature: 1.300000 Total energy: -27.804978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.804978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.804978 (E_RNA) where: Base-Base interactions energy: -10.683 where: short stacking energy: -10.683 Base-Backbone interact. energy: -0.000 local terms energy: -17.121794 where: bonds (distance) C4'-P energy: -4.111 bonds (distance) P-C4' energy: -2.887 flat angles C4'-P-C4' energy: -4.359 flat angles P-C4'-P energy: -3.677 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: 10, replica: 2 ===================================== Write number: 372 Temperature: 1.350000 Total energy: -26.801007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.801007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.801007 (E_RNA) where: Base-Base interactions energy: -8.039 where: short stacking energy: -8.039 Base-Backbone interact. energy: -0.000 local terms energy: -18.761288 where: bonds (distance) C4'-P energy: -4.778 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -3.848 flat angles P-C4'-P energy: -3.127 tors. eta vs tors. theta energy: -0.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 373 Temperature: 0.900000 Total energy: -40.531342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.531342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.531342 (E_RNA) where: Base-Base interactions energy: -16.352 where: short stacking energy: -16.352 Base-Backbone interact. energy: -0.000 local terms energy: -24.179769 where: bonds (distance) C4'-P energy: -4.509 bonds (distance) P-C4' energy: -5.258 flat angles C4'-P-C4' energy: -4.453 flat angles P-C4'-P energy: -4.549 tors. eta vs tors. theta energy: -5.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 373 Temperature: 0.950000 Total energy: -31.685450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.685450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.685450 (E_RNA) where: Base-Base interactions energy: -11.421 where: short stacking energy: -11.421 Base-Backbone interact. energy: -0.077 local terms energy: -20.187092 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -3.994 flat angles C4'-P-C4' energy: -2.842 flat angles P-C4'-P energy: -3.638 tors. eta vs tors. theta energy: -4.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 373 Temperature: 1.000000 Total energy: -27.178277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.178277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.178277 (E_RNA) where: Base-Base interactions energy: -7.761 where: short stacking energy: -7.761 Base-Backbone interact. energy: -0.000 local terms energy: -19.416615 where: bonds (distance) C4'-P energy: -4.501 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.344 flat angles P-C4'-P energy: -2.793 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: 4, replica: 8 ===================================== Write number: 373 Temperature: 1.050000 Total energy: -28.709849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.709849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.709849 (E_RNA) where: Base-Base interactions energy: -7.262 where: short stacking energy: -7.262 Base-Backbone interact. energy: -0.000 local terms energy: -21.447864 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -6.020 flat angles C4'-P-C4' energy: -4.750 flat angles P-C4'-P energy: -4.015 tors. eta vs tors. theta energy: -1.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 373 Temperature: 1.100000 Total energy: -37.889064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.889064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.889064 (E_RNA) where: Base-Base interactions energy: -14.217 where: short stacking energy: -14.217 Base-Backbone interact. energy: -0.000 local terms energy: -23.671836 where: bonds (distance) C4'-P energy: -5.167 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -3.992 flat angles P-C4'-P energy: -4.152 tors. eta vs tors. theta energy: -4.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 373 Temperature: 1.150000 Total energy: -27.570767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.570767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.570767 (E_RNA) where: Base-Base interactions energy: -7.441 where: short stacking energy: -7.441 Base-Backbone interact. energy: -0.090 local terms energy: -20.039902 where: bonds (distance) C4'-P energy: -4.600 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -3.879 flat angles P-C4'-P energy: -3.515 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: 7, replica: 1 ===================================== Write number: 373 Temperature: 1.200000 Total energy: -29.332128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.332128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.332128 (E_RNA) where: Base-Base interactions energy: -8.842 where: short stacking energy: -8.842 Base-Backbone interact. energy: -0.003 local terms energy: -20.487107 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -3.598 flat angles P-C4'-P energy: -4.683 tors. eta vs tors. theta energy: -1.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 373 Temperature: 1.250000 Total energy: -31.084085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.084085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.084085 (E_RNA) where: Base-Base interactions energy: -16.225 where: short stacking energy: -16.225 Base-Backbone interact. energy: -0.000 local terms energy: -14.858593 where: bonds (distance) C4'-P energy: -3.826 bonds (distance) P-C4' energy: -4.001 flat angles C4'-P-C4' energy: -2.463 flat angles P-C4'-P energy: -2.255 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: 9, replica: 3 ===================================== Write number: 373 Temperature: 1.300000 Total energy: -27.507930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.507930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.507930 (E_RNA) where: Base-Base interactions energy: -6.962 where: short stacking energy: -6.962 Base-Backbone interact. energy: -0.000 local terms energy: -20.545691 where: bonds (distance) C4'-P energy: -3.809 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.759 flat angles P-C4'-P energy: -2.676 tors. eta vs tors. theta energy: -3.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 373 Temperature: 1.350000 Total energy: -24.400065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.400065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.400065 (E_RNA) where: Base-Base interactions energy: -7.075 where: short stacking energy: -7.075 Base-Backbone interact. energy: -0.001 local terms energy: -17.323554 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -3.053 flat angles C4'-P-C4' energy: -5.224 flat angles P-C4'-P energy: -3.142 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: 6 ===================================== Write number: 374 Temperature: 0.900000 Total energy: -38.400920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.400920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.400920 (E_RNA) where: Base-Base interactions energy: -17.196 where: short stacking energy: -17.196 Base-Backbone interact. energy: -0.001 local terms energy: -21.204224 where: bonds (distance) C4'-P energy: -3.540 bonds (distance) P-C4' energy: -4.687 flat angles C4'-P-C4' energy: -5.607 flat angles P-C4'-P energy: -3.126 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: 2, replica: 5 ===================================== Write number: 374 Temperature: 0.950000 Total energy: -37.329032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.329032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.329032 (E_RNA) where: Base-Base interactions energy: -14.352 where: short stacking energy: -14.352 Base-Backbone interact. energy: -0.000 local terms energy: -22.976814 where: bonds (distance) C4'-P energy: -3.574 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -4.845 flat angles P-C4'-P energy: -3.624 tors. eta vs tors. theta energy: -5.372 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: 3, replica: 8 ===================================== Write number: 374 Temperature: 1.000000 Total energy: -33.644965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.644965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.644965 (E_RNA) where: Base-Base interactions energy: -11.564 where: short stacking energy: -11.564 Base-Backbone interact. energy: -0.000 local terms energy: -22.080585 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -3.555 flat angles P-C4'-P energy: -2.411 tors. eta vs tors. theta energy: -4.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 374 Temperature: 1.050000 Total energy: -31.273468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.273468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.273468 (E_RNA) where: Base-Base interactions energy: -11.407 where: short stacking energy: -11.407 Base-Backbone interact. energy: -0.000 local terms energy: -19.866247 where: bonds (distance) C4'-P energy: -5.606 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -2.166 flat angles P-C4'-P energy: -3.147 tors. eta vs tors. theta energy: -3.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 374 Temperature: 1.100000 Total energy: -27.099541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.099541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.099541 (E_RNA) where: Base-Base interactions energy: -7.332 where: short stacking energy: -7.332 Base-Backbone interact. energy: -0.000 local terms energy: -19.767573 where: bonds (distance) C4'-P energy: -3.714 bonds (distance) P-C4' energy: -5.078 flat angles C4'-P-C4' energy: -5.280 flat angles P-C4'-P energy: -4.285 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: 9 ===================================== Write number: 374 Temperature: 1.150000 Total energy: -30.460373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.460373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.460373 (E_RNA) where: Base-Base interactions energy: -10.175 where: short stacking energy: -10.175 Base-Backbone interact. energy: -0.742 local terms energy: -19.543598 where: bonds (distance) C4'-P energy: -3.896 bonds (distance) P-C4' energy: -4.280 flat angles C4'-P-C4' energy: -3.480 flat angles P-C4'-P energy: -4.037 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: 7, replica: 7 ===================================== Write number: 374 Temperature: 1.200000 Total energy: -30.808426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.808426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.808426 (E_RNA) where: Base-Base interactions energy: -12.035 where: short stacking energy: -12.035 Base-Backbone interact. energy: -0.014 local terms energy: -18.759674 where: bonds (distance) C4'-P energy: -2.887 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -4.901 flat angles P-C4'-P energy: -2.266 tors. eta vs tors. theta energy: -3.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 374 Temperature: 1.250000 Total energy: -25.091088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.091088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.091088 (E_RNA) where: Base-Base interactions energy: -6.786 where: short stacking energy: -6.786 Base-Backbone interact. energy: -0.000 local terms energy: -18.305049 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -4.147 flat angles P-C4'-P energy: -2.971 tors. eta vs tors. theta energy: -0.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 374 Temperature: 1.300000 Total energy: -24.725756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.725756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.725756 (E_RNA) where: Base-Base interactions energy: -7.392 where: short stacking energy: -7.392 Base-Backbone interact. energy: -0.001 local terms energy: -17.333302 where: bonds (distance) C4'-P energy: -3.987 bonds (distance) P-C4' energy: -3.902 flat angles C4'-P-C4' energy: -4.479 flat angles P-C4'-P energy: -2.710 tors. eta vs tors. theta energy: -2.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 374 Temperature: 1.350000 Total energy: -23.412443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.412443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.412443 (E_RNA) where: Base-Base interactions energy: -5.364 where: short stacking energy: -5.364 Base-Backbone interact. energy: -0.000 local terms energy: -18.048191 where: bonds (distance) C4'-P energy: -4.547 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -4.228 flat angles P-C4'-P energy: -2.829 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: 1, replica: 6 ===================================== Write number: 375 Temperature: 0.900000 Total energy: -35.573414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.573414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.573414 (E_RNA) where: Base-Base interactions energy: -13.439 where: short stacking energy: -13.439 Base-Backbone interact. energy: -0.001 local terms energy: -22.133087 where: bonds (distance) C4'-P energy: -4.628 bonds (distance) P-C4' energy: -4.681 flat angles C4'-P-C4' energy: -5.485 flat angles P-C4'-P energy: -3.415 tors. eta vs tors. theta energy: -3.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 375 Temperature: 0.950000 Total energy: -33.064130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.064130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.064130 (E_RNA) where: Base-Base interactions energy: -12.863 where: short stacking energy: -12.863 Base-Backbone interact. energy: -0.000 local terms energy: -20.200847 where: bonds (distance) C4'-P energy: -3.304 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.105 flat angles P-C4'-P energy: -3.509 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: 3, replica: 5 ===================================== Write number: 375 Temperature: 1.000000 Total energy: -33.029104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.029104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.029104 (E_RNA) where: Base-Base interactions energy: -11.484 where: short stacking energy: -11.484 Base-Backbone interact. energy: -0.025 local terms energy: -21.519524 where: bonds (distance) C4'-P energy: -4.663 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -4.575 flat angles P-C4'-P energy: -4.244 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: 4, replica: 4 ===================================== Write number: 375 Temperature: 1.050000 Total energy: -29.018018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.018018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.018018 (E_RNA) where: Base-Base interactions energy: -12.688 where: short stacking energy: -12.688 Base-Backbone interact. energy: -0.020 local terms energy: -16.310138 where: bonds (distance) C4'-P energy: -3.428 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -3.431 flat angles P-C4'-P energy: -2.618 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: 5, replica: 10 ===================================== Write number: 375 Temperature: 1.100000 Total energy: -30.425943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.425943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.425943 (E_RNA) where: Base-Base interactions energy: -6.876 where: short stacking energy: -6.876 Base-Backbone interact. energy: -0.000 local terms energy: -23.550431 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.467 flat angles P-C4'-P energy: -3.182 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: 6, replica: 7 ===================================== Write number: 375 Temperature: 1.150000 Total energy: -28.457594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.457594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.457594 (E_RNA) where: Base-Base interactions energy: -10.084 where: short stacking energy: -10.084 Base-Backbone interact. energy: -0.000 local terms energy: -18.373913 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -5.040 flat angles C4'-P-C4' energy: -2.241 flat angles P-C4'-P energy: -3.888 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: 7, replica: 9 ===================================== Write number: 375 Temperature: 1.200000 Total energy: -32.729996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.729996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.729996 (E_RNA) where: Base-Base interactions energy: -12.293 where: short stacking energy: -11.352 Base-Backbone interact. energy: -0.004 local terms energy: -20.433879 where: bonds (distance) C4'-P energy: -3.764 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.180 flat angles P-C4'-P energy: -3.538 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: 8, replica: 2 ===================================== Write number: 375 Temperature: 1.250000 Total energy: -28.497580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.497580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.497580 (E_RNA) where: Base-Base interactions energy: -8.553 where: short stacking energy: -8.553 Base-Backbone interact. energy: -0.005 local terms energy: -19.939462 where: bonds (distance) C4'-P energy: -4.049 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -4.343 flat angles P-C4'-P energy: -4.294 tors. eta vs tors. theta energy: -1.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 375 Temperature: 1.300000 Total energy: -27.963136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.963136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.963136 (E_RNA) where: Base-Base interactions energy: -8.145 where: short stacking energy: -8.145 Base-Backbone interact. energy: 0.245 local terms energy: -20.062856 where: bonds (distance) C4'-P energy: -4.628 bonds (distance) P-C4' energy: -4.646 flat angles C4'-P-C4' energy: -4.447 flat angles P-C4'-P energy: -4.018 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: 10, replica: 3 ===================================== Write number: 375 Temperature: 1.350000 Total energy: -29.183558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.183558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.183558 (E_RNA) where: Base-Base interactions energy: -11.745 where: short stacking energy: -11.745 Base-Backbone interact. energy: -0.000 local terms energy: -17.438427 where: bonds (distance) C4'-P energy: -4.369 bonds (distance) P-C4' energy: -3.991 flat angles C4'-P-C4' energy: -3.948 flat angles P-C4'-P energy: -0.828 tors. eta vs tors. theta energy: -4.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 376 Temperature: 0.900000 Total energy: -39.964763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.964763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.964763 (E_RNA) where: Base-Base interactions energy: -16.328 where: short stacking energy: -16.328 Base-Backbone interact. energy: -0.000 local terms energy: -23.636812 where: bonds (distance) C4'-P energy: -4.405 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -5.349 flat angles P-C4'-P energy: -3.348 tors. eta vs tors. theta energy: -4.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 376 Temperature: 0.950000 Total energy: -35.607763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.607763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.607763 (E_RNA) where: Base-Base interactions energy: -11.727 where: short stacking energy: -11.727 Base-Backbone interact. energy: -0.000 local terms energy: -23.881031 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.937 flat angles P-C4'-P energy: -3.112 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: 4 ===================================== Write number: 376 Temperature: 1.000000 Total energy: -31.285518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.285518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.285518 (E_RNA) where: Base-Base interactions energy: -11.461 where: short stacking energy: -11.461 Base-Backbone interact. energy: -0.001 local terms energy: -19.823863 where: bonds (distance) C4'-P energy: -4.555 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -3.889 flat angles P-C4'-P energy: -2.486 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: 4, replica: 5 ===================================== Write number: 376 Temperature: 1.050000 Total energy: -31.692659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.692659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.692659 (E_RNA) where: Base-Base interactions energy: -10.911 where: short stacking energy: -10.911 Base-Backbone interact. energy: -0.000 local terms energy: -20.782062 where: bonds (distance) C4'-P energy: -4.219 bonds (distance) P-C4' energy: -5.298 flat angles C4'-P-C4' energy: -3.932 flat angles P-C4'-P energy: -3.380 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: 5, replica: 10 ===================================== Write number: 376 Temperature: 1.100000 Total energy: -30.515064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.515064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.515064 (E_RNA) where: Base-Base interactions energy: -12.559 where: short stacking energy: -12.559 Base-Backbone interact. energy: -0.192 local terms energy: -17.763368 where: bonds (distance) C4'-P energy: -4.343 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.486 flat angles P-C4'-P energy: -4.010 tors. eta vs tors. theta energy: 0.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 376 Temperature: 1.150000 Total energy: -31.384894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.384894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.384894 (E_RNA) where: Base-Base interactions energy: -10.886 where: short stacking energy: -10.886 Base-Backbone interact. energy: -0.000 local terms energy: -20.498460 where: bonds (distance) C4'-P energy: -4.600 bonds (distance) P-C4' energy: -5.540 flat angles C4'-P-C4' energy: -4.363 flat angles P-C4'-P energy: -4.512 tors. eta vs tors. theta energy: -1.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 376 Temperature: 1.200000 Total energy: -24.715346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.715346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.715346 (E_RNA) where: Base-Base interactions energy: -4.621 where: short stacking energy: -4.621 Base-Backbone interact. energy: -0.167 local terms energy: -19.927775 where: bonds (distance) C4'-P energy: -4.111 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -5.435 flat angles P-C4'-P energy: -3.884 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: 8, replica: 2 ===================================== Write number: 376 Temperature: 1.250000 Total energy: -35.198348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.198348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.198348 (E_RNA) where: Base-Base interactions energy: -15.730 where: short stacking energy: -15.730 Base-Backbone interact. energy: -0.000 local terms energy: -19.468186 where: bonds (distance) C4'-P energy: -4.725 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -3.877 flat angles P-C4'-P energy: -2.310 tors. eta vs tors. theta energy: -3.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 376 Temperature: 1.300000 Total energy: -22.850995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.850995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.850995 (E_RNA) where: Base-Base interactions energy: -6.613 where: short stacking energy: -6.613 Base-Backbone interact. energy: -0.003 local terms energy: -16.234245 where: bonds (distance) C4'-P energy: -3.607 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -5.064 flat angles P-C4'-P energy: -2.032 tors. eta vs tors. theta energy: 0.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 376 Temperature: 1.350000 Total energy: -28.476039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.476039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.476039 (E_RNA) where: Base-Base interactions energy: -8.426 where: short stacking energy: -8.426 Base-Backbone interact. energy: -0.000 local terms energy: -20.049935 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -4.811 flat angles C4'-P-C4' energy: -4.276 flat angles P-C4'-P energy: -4.560 tors. eta vs tors. theta energy: -1.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 377 Temperature: 0.900000 Total energy: -32.969187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.969187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.969187 (E_RNA) where: Base-Base interactions energy: -13.838 where: short stacking energy: -13.838 Base-Backbone interact. energy: -0.042 local terms energy: -19.088742 where: bonds (distance) C4'-P energy: -4.645 bonds (distance) P-C4' energy: -4.706 flat angles C4'-P-C4' energy: -5.311 flat angles P-C4'-P energy: -3.636 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: 2, replica: 4 ===================================== Write number: 377 Temperature: 0.950000 Total energy: -33.475874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.475874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.475874 (E_RNA) where: Base-Base interactions energy: -10.524 where: short stacking energy: -10.524 Base-Backbone interact. energy: -0.000 local terms energy: -22.952122 where: bonds (distance) C4'-P energy: -4.840 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -4.620 flat angles P-C4'-P energy: -3.919 tors. eta vs tors. theta energy: -4.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 377 Temperature: 1.000000 Total energy: -36.885599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.885599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.885599 (E_RNA) where: Base-Base interactions energy: -12.809 where: short stacking energy: -12.809 Base-Backbone interact. energy: -0.000 local terms energy: -24.077031 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.344 flat angles P-C4'-P energy: -3.841 tors. eta vs tors. theta energy: -4.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 377 Temperature: 1.050000 Total energy: -30.225826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.225826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.225826 (E_RNA) where: Base-Base interactions energy: -12.061 where: short stacking energy: -12.061 Base-Backbone interact. energy: -0.000 local terms energy: -18.164259 where: bonds (distance) C4'-P energy: -2.869 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.994 flat angles P-C4'-P energy: -3.448 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: 5, replica: 5 ===================================== Write number: 377 Temperature: 1.100000 Total energy: -29.883954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.883954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.883954 (E_RNA) where: Base-Base interactions energy: -11.550 where: short stacking energy: -11.550 Base-Backbone interact. energy: -0.010 local terms energy: -18.323585 where: bonds (distance) C4'-P energy: -3.892 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -3.525 flat angles P-C4'-P energy: -3.550 tors. eta vs tors. theta energy: -1.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 377 Temperature: 1.150000 Total energy: -27.201495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.201495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.201495 (E_RNA) where: Base-Base interactions energy: -7.776 where: short stacking energy: -7.776 Base-Backbone interact. energy: -0.083 local terms energy: -19.342448 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -4.019 flat angles C4'-P-C4' energy: -3.502 flat angles P-C4'-P energy: -4.313 tors. eta vs tors. theta energy: -2.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 377 Temperature: 1.200000 Total energy: -30.305318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.305318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.305318 (E_RNA) where: Base-Base interactions energy: -10.273 where: short stacking energy: -10.273 Base-Backbone interact. energy: -0.049 local terms energy: -19.983141 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -4.365 flat angles P-C4'-P energy: -4.275 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: 8, replica: 3 ===================================== Write number: 377 Temperature: 1.250000 Total energy: -25.616240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.616240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.616240 (E_RNA) where: Base-Base interactions energy: -7.842 where: short stacking energy: -7.842 Base-Backbone interact. energy: -0.001 local terms energy: -17.774147 where: bonds (distance) C4'-P energy: -1.768 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -5.526 flat angles P-C4'-P energy: -1.938 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: 9, replica: 2 ===================================== Write number: 377 Temperature: 1.300000 Total energy: -27.157126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.157126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.157126 (E_RNA) where: Base-Base interactions energy: -6.839 where: short stacking energy: -6.839 Base-Backbone interact. energy: 0.877 local terms energy: -21.195868 where: bonds (distance) C4'-P energy: -4.600 bonds (distance) P-C4' energy: -4.220 flat angles C4'-P-C4' energy: -4.884 flat angles P-C4'-P energy: -3.216 tors. eta vs tors. theta energy: -4.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 377 Temperature: 1.350000 Total energy: -28.109206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.109206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.109206 (E_RNA) where: Base-Base interactions energy: -10.751 where: short stacking energy: -10.751 Base-Backbone interact. energy: -0.000 local terms energy: -17.357823 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -1.628 flat angles C4'-P-C4' energy: -4.744 flat angles P-C4'-P energy: -3.065 tors. eta vs tors. theta energy: -2.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 378 Temperature: 0.900000 Total energy: -37.254090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.254090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.254090 (E_RNA) where: Base-Base interactions energy: -13.385 where: short stacking energy: -13.385 Base-Backbone interact. energy: -0.000 local terms energy: -23.869506 where: bonds (distance) C4'-P energy: -5.010 bonds (distance) P-C4' energy: -4.286 flat angles C4'-P-C4' energy: -5.260 flat angles P-C4'-P energy: -4.116 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: 2, replica: 6 ===================================== Write number: 378 Temperature: 0.950000 Total energy: -31.440928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.440928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.440928 (E_RNA) where: Base-Base interactions energy: -11.841 where: short stacking energy: -11.841 Base-Backbone interact. energy: -0.004 local terms energy: -19.595582 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -5.065 flat angles C4'-P-C4' energy: -4.956 flat angles P-C4'-P energy: -2.940 tors. eta vs tors. theta energy: -1.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 378 Temperature: 1.000000 Total energy: -33.037991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.037991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.037991 (E_RNA) where: Base-Base interactions energy: -11.585 where: short stacking energy: -11.585 Base-Backbone interact. energy: -0.001 local terms energy: -21.452574 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -3.765 flat angles C4'-P-C4' energy: -5.361 flat angles P-C4'-P energy: -4.372 tors. eta vs tors. theta energy: -2.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 378 Temperature: 1.050000 Total energy: -25.445636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.445636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.445636 (E_RNA) where: Base-Base interactions energy: -8.242 where: short stacking energy: -8.242 Base-Backbone interact. energy: -0.024 local terms energy: -17.179654 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -3.828 flat angles P-C4'-P energy: -4.178 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: 5, replica: 9 ===================================== Write number: 378 Temperature: 1.100000 Total energy: -27.918379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.918379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.918379 (E_RNA) where: Base-Base interactions energy: -11.258 where: short stacking energy: -11.258 Base-Backbone interact. energy: -0.000 local terms energy: -16.660212 where: bonds (distance) C4'-P energy: -4.663 bonds (distance) P-C4' energy: -4.706 flat angles C4'-P-C4' energy: -3.303 flat angles P-C4'-P energy: -1.301 tors. eta vs tors. theta energy: -2.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 378 Temperature: 1.150000 Total energy: -29.249759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.249759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.249759 (E_RNA) where: Base-Base interactions energy: -12.084 where: short stacking energy: -12.084 Base-Backbone interact. energy: -0.000 local terms energy: -17.165574 where: bonds (distance) C4'-P energy: -4.485 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -1.715 flat angles P-C4'-P energy: -2.250 tors. eta vs tors. theta energy: -2.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 378 Temperature: 1.200000 Total energy: -25.092927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.092927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.092927 (E_RNA) where: Base-Base interactions energy: -5.000 where: short stacking energy: -5.000 Base-Backbone interact. energy: -0.013 local terms energy: -20.080450 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -4.872 flat angles C4'-P-C4' energy: -5.111 flat angles P-C4'-P energy: -4.524 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: 8, replica: 7 ===================================== Write number: 378 Temperature: 1.250000 Total energy: -23.731188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.731188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.731188 (E_RNA) where: Base-Base interactions energy: -9.060 where: short stacking energy: -9.060 Base-Backbone interact. energy: -0.037 local terms energy: -14.634334 where: bonds (distance) C4'-P energy: -3.668 bonds (distance) P-C4' energy: -5.283 flat angles C4'-P-C4' energy: -1.370 flat angles P-C4'-P energy: -4.496 tors. eta vs tors. theta energy: 0.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 378 Temperature: 1.300000 Total energy: -24.125890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.125890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.125890 (E_RNA) where: Base-Base interactions energy: -4.431 where: short stacking energy: -4.431 Base-Backbone interact. energy: -0.049 local terms energy: -19.646103 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -4.371 flat angles P-C4'-P energy: -3.444 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: 10, replica: 2 ===================================== Write number: 378 Temperature: 1.350000 Total energy: -26.095957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.095957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.095957 (E_RNA) where: Base-Base interactions energy: -7.794 where: short stacking energy: -7.794 Base-Backbone interact. energy: -0.100 local terms energy: -18.201814 where: bonds (distance) C4'-P energy: -5.188 bonds (distance) P-C4' energy: -5.065 flat angles C4'-P-C4' energy: -5.433 flat angles P-C4'-P energy: -0.768 tors. eta vs tors. theta energy: -1.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 379 Temperature: 0.900000 Total energy: -37.370236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.370236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.370236 (E_RNA) where: Base-Base interactions energy: -14.511 where: short stacking energy: -14.511 Base-Backbone interact. energy: -0.807 local terms energy: -22.052984 where: bonds (distance) C4'-P energy: -4.049 bonds (distance) P-C4' energy: -5.551 flat angles C4'-P-C4' energy: -4.871 flat angles P-C4'-P energy: -1.847 tors. eta vs tors. theta energy: -5.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 379 Temperature: 0.950000 Total energy: -35.189789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.189789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.189789 (E_RNA) where: Base-Base interactions energy: -14.821 where: short stacking energy: -14.821 Base-Backbone interact. energy: -0.000 local terms energy: -20.368929 where: bonds (distance) C4'-P energy: -2.534 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.618 flat angles P-C4'-P energy: -3.452 tors. eta vs tors. theta energy: -3.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 379 Temperature: 1.000000 Total energy: -32.955639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.955639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.955639 (E_RNA) where: Base-Base interactions energy: -12.645 where: short stacking energy: -12.645 Base-Backbone interact. energy: -0.058 local terms energy: -20.252073 where: bonds (distance) C4'-P energy: -5.126 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.598 flat angles P-C4'-P energy: -2.455 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: 4, replica: 9 ===================================== Write number: 379 Temperature: 1.050000 Total energy: -30.176777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.176777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.176777 (E_RNA) where: Base-Base interactions energy: -11.999 where: short stacking energy: -11.999 Base-Backbone interact. energy: -0.011 local terms energy: -18.166707 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -2.333 flat angles C4'-P-C4' energy: -3.272 flat angles P-C4'-P energy: -3.493 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: 5, replica: 10 ===================================== Write number: 379 Temperature: 1.100000 Total energy: -32.694825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.694825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.694825 (E_RNA) where: Base-Base interactions energy: -11.516 where: short stacking energy: -11.516 Base-Backbone interact. energy: -0.000 local terms energy: -21.178038 where: bonds (distance) C4'-P energy: -4.199 bonds (distance) P-C4' energy: -5.231 flat angles C4'-P-C4' energy: -2.867 flat angles P-C4'-P energy: -4.121 tors. eta vs tors. theta energy: -4.760 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: 6, replica: 3 ===================================== Write number: 379 Temperature: 1.150000 Total energy: -29.595925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.595925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.595925 (E_RNA) where: Base-Base interactions energy: -12.380 where: short stacking energy: -12.380 Base-Backbone interact. energy: -0.001 local terms energy: -17.215171 where: bonds (distance) C4'-P energy: -4.753 bonds (distance) P-C4' energy: -4.190 flat angles C4'-P-C4' energy: -4.092 flat angles P-C4'-P energy: -2.060 tors. eta vs tors. theta energy: -2.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 379 Temperature: 1.200000 Total energy: -29.318598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.318598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.318598 (E_RNA) where: Base-Base interactions energy: -11.474 where: short stacking energy: -11.474 Base-Backbone interact. energy: -0.001 local terms energy: -17.843416 where: bonds (distance) C4'-P energy: -4.609 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.235 flat angles P-C4'-P energy: -0.962 tors. eta vs tors. theta energy: -1.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 379 Temperature: 1.250000 Total energy: -29.605742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.605742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.605742 (E_RNA) where: Base-Base interactions energy: -9.951 where: short stacking energy: -9.951 Base-Backbone interact. energy: -0.000 local terms energy: -19.654970 where: bonds (distance) C4'-P energy: -4.137 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.168 flat angles P-C4'-P energy: -3.368 tors. eta vs tors. theta energy: -1.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 379 Temperature: 1.300000 Total energy: -25.804070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.804070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.804070 (E_RNA) where: Base-Base interactions energy: -8.639 where: short stacking energy: -8.639 Base-Backbone interact. energy: -0.066 local terms energy: -17.098922 where: bonds (distance) C4'-P energy: -4.803 bonds (distance) P-C4' energy: -2.998 flat angles C4'-P-C4' energy: -3.464 flat angles P-C4'-P energy: -4.332 tors. eta vs tors. theta energy: -1.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 379 Temperature: 1.350000 Total energy: -26.660667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.660667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.660667 (E_RNA) where: Base-Base interactions energy: -9.343 where: short stacking energy: -9.343 Base-Backbone interact. energy: -0.004 local terms energy: -17.313381 where: bonds (distance) C4'-P energy: -4.786 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -0.884 flat angles P-C4'-P energy: -3.638 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: 8 ===================================== Write number: 380 Temperature: 0.900000 Total energy: -36.030001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.030001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.030001 (E_RNA) where: Base-Base interactions energy: -13.345 where: short stacking energy: -13.345 Base-Backbone interact. energy: -0.002 local terms energy: -22.682940 where: bonds (distance) C4'-P energy: -4.865 bonds (distance) P-C4' energy: -5.995 flat angles C4'-P-C4' energy: -5.343 flat angles P-C4'-P energy: -3.923 tors. eta vs tors. theta energy: -2.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 380 Temperature: 0.950000 Total energy: -32.155728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.155728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.155728 (E_RNA) where: Base-Base interactions energy: -10.596 where: short stacking energy: -10.596 Base-Backbone interact. energy: -0.001 local terms energy: -21.559419 where: bonds (distance) C4'-P energy: -4.645 bonds (distance) P-C4' energy: -5.206 flat angles C4'-P-C4' energy: -5.124 flat angles P-C4'-P energy: -4.117 tors. eta vs tors. theta energy: -2.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 380 Temperature: 1.000000 Total energy: -28.902698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.902698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.902698 (E_RNA) where: Base-Base interactions energy: -8.401 where: short stacking energy: -8.401 Base-Backbone interact. energy: -0.004 local terms energy: -20.498099 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.096 flat angles P-C4'-P energy: -4.299 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: 4, replica: 6 ===================================== Write number: 380 Temperature: 1.050000 Total energy: -34.872965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.872965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.872965 (E_RNA) where: Base-Base interactions energy: -16.096 where: short stacking energy: -16.096 Base-Backbone interact. energy: -0.003 local terms energy: -18.774127 where: bonds (distance) C4'-P energy: -3.760 bonds (distance) P-C4' energy: -2.662 flat angles C4'-P-C4' energy: -5.274 flat angles P-C4'-P energy: -2.737 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: 5, replica: 3 ===================================== Write number: 380 Temperature: 1.100000 Total energy: -25.872299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.872299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.872299 (E_RNA) where: Base-Base interactions energy: -6.948 where: short stacking energy: -6.948 Base-Backbone interact. energy: -0.001 local terms energy: -18.922855 where: bonds (distance) C4'-P energy: -4.725 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.716 flat angles P-C4'-P energy: -2.543 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: 10 ===================================== Write number: 380 Temperature: 1.150000 Total energy: -27.322482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.322482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.322482 (E_RNA) where: Base-Base interactions energy: -8.730 where: short stacking energy: -8.730 Base-Backbone interact. energy: -0.000 local terms energy: -18.592377 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.494 flat angles C4'-P-C4' energy: -4.802 flat angles P-C4'-P energy: -0.744 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: 7, replica: 7 ===================================== Write number: 380 Temperature: 1.200000 Total energy: -25.032285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.032285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.032285 (E_RNA) where: Base-Base interactions energy: -8.484 where: short stacking energy: -8.484 Base-Backbone interact. energy: -0.094 local terms energy: -16.454073 where: bonds (distance) C4'-P energy: -3.516 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -3.450 flat angles P-C4'-P energy: -2.884 tors. eta vs tors. theta energy: -0.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 380 Temperature: 1.250000 Total energy: -27.445019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.445019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.445019 (E_RNA) where: Base-Base interactions energy: -8.888 where: short stacking energy: -8.888 Base-Backbone interact. energy: -0.099 local terms energy: -18.457917 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -4.262 flat angles C4'-P-C4' energy: -3.442 flat angles P-C4'-P energy: -3.872 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: 9, replica: 2 ===================================== Write number: 380 Temperature: 1.300000 Total energy: -27.306009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.306009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.306009 (E_RNA) where: Base-Base interactions energy: -12.785 where: short stacking energy: -12.873 Base-Backbone interact. energy: -0.000 local terms energy: -14.520516 where: bonds (distance) C4'-P energy: -2.062 bonds (distance) P-C4' energy: -3.733 flat angles C4'-P-C4' energy: -4.308 flat angles P-C4'-P energy: -0.543 tors. eta vs tors. theta energy: -3.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 380 Temperature: 1.350000 Total energy: -21.084655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.084655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.084655 (E_RNA) where: Base-Base interactions energy: -2.791 where: short stacking energy: -2.791 Base-Backbone interact. energy: -0.096 local terms energy: -18.198257 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -3.562 flat angles P-C4'-P energy: -2.204 tors. eta vs tors. theta energy: -1.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 381 Temperature: 0.900000 Total energy: -34.776537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.776537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.776537 (E_RNA) where: Base-Base interactions energy: -15.192 where: short stacking energy: -12.225 Base-Backbone interact. energy: -0.245 local terms energy: -19.339894 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -5.488 flat angles P-C4'-P energy: -2.907 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: 2, replica: 4 ===================================== Write number: 381 Temperature: 0.950000 Total energy: -36.269436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.269436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.269436 (E_RNA) where: Base-Base interactions energy: -14.680 where: short stacking energy: -14.680 Base-Backbone interact. energy: -0.002 local terms energy: -21.587506 where: bonds (distance) C4'-P energy: -4.501 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.658 flat angles P-C4'-P energy: -3.221 tors. eta vs tors. theta energy: -2.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 381 Temperature: 1.000000 Total energy: -40.018082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.018082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.018082 (E_RNA) where: Base-Base interactions energy: -14.646 where: short stacking energy: -14.646 Base-Backbone interact. energy: -0.000 local terms energy: -25.371830 where: bonds (distance) C4'-P energy: -4.911 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.954 flat angles P-C4'-P energy: -3.695 tors. eta vs tors. theta energy: -5.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 381 Temperature: 1.050000 Total energy: -30.155947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.155947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.155947 (E_RNA) where: Base-Base interactions energy: -9.122 where: short stacking energy: -9.122 Base-Backbone interact. energy: -0.089 local terms energy: -20.944581 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -4.539 flat angles P-C4'-P energy: -2.959 tors. eta vs tors. theta energy: -2.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 381 Temperature: 1.100000 Total energy: -32.067250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.067250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.067250 (E_RNA) where: Base-Base interactions energy: -14.075 where: short stacking energy: -14.075 Base-Backbone interact. energy: -0.000 local terms energy: -17.992480 where: bonds (distance) C4'-P energy: -3.718 bonds (distance) P-C4' energy: -4.019 flat angles C4'-P-C4' energy: -3.300 flat angles P-C4'-P energy: -3.482 tors. eta vs tors. theta energy: -3.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 381 Temperature: 1.150000 Total energy: -26.021716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.021716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.021716 (E_RNA) where: Base-Base interactions energy: -8.153 where: short stacking energy: -8.153 Base-Backbone interact. energy: -0.007 local terms energy: -17.861775 where: bonds (distance) C4'-P energy: -4.025 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -3.578 flat angles P-C4'-P energy: -3.011 tors. eta vs tors. theta energy: -2.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 381 Temperature: 1.200000 Total energy: -29.936043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.936043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.936043 (E_RNA) where: Base-Base interactions energy: -11.572 where: short stacking energy: -11.572 Base-Backbone interact. energy: -0.000 local terms energy: -18.364392 where: bonds (distance) C4'-P energy: -2.691 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -3.731 flat angles P-C4'-P energy: -3.336 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: 8, replica: 5 ===================================== Write number: 381 Temperature: 1.250000 Total energy: -25.296514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.296514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.296514 (E_RNA) where: Base-Base interactions energy: -3.913 where: short stacking energy: -3.913 Base-Backbone interact. energy: -0.000 local terms energy: -21.383741 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -4.649 flat angles C4'-P-C4' energy: -4.598 flat angles P-C4'-P energy: -3.792 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: 9, replica: 2 ===================================== Write number: 381 Temperature: 1.300000 Total energy: -26.185205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.185205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.185205 (E_RNA) where: Base-Base interactions energy: -6.630 where: short stacking energy: -6.630 Base-Backbone interact. energy: -0.001 local terms energy: -19.554172 where: bonds (distance) C4'-P energy: -3.995 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -5.620 flat angles P-C4'-P energy: -2.476 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: 10, replica: 1 ===================================== Write number: 381 Temperature: 1.350000 Total energy: -24.537241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.537241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.537241 (E_RNA) where: Base-Base interactions energy: -4.701 where: short stacking energy: -4.701 Base-Backbone interact. energy: -0.000 local terms energy: -19.836597 where: bonds (distance) C4'-P energy: -3.723 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -5.117 flat angles P-C4'-P energy: -2.827 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: 1, replica: 4 ===================================== Write number: 382 Temperature: 0.900000 Total energy: -35.355566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.355566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.355566 (E_RNA) where: Base-Base interactions energy: -12.397 where: short stacking energy: -12.397 Base-Backbone interact. energy: -0.000 local terms energy: -22.958541 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -4.544 flat angles C4'-P-C4' energy: -5.348 flat angles P-C4'-P energy: -4.221 tors. eta vs tors. theta energy: -3.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 382 Temperature: 0.950000 Total energy: -31.671014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.671014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.671014 (E_RNA) where: Base-Base interactions energy: -10.582 where: short stacking energy: -10.582 Base-Backbone interact. energy: 0.348 local terms energy: -21.437032 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.320 flat angles P-C4'-P energy: -2.277 tors. eta vs tors. theta energy: -3.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 382 Temperature: 1.000000 Total energy: -29.045939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.045939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.045939 (E_RNA) where: Base-Base interactions energy: -8.594 where: short stacking energy: -8.594 Base-Backbone interact. energy: -0.043 local terms energy: -20.409004 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -5.246 flat angles P-C4'-P energy: -3.883 tors. eta vs tors. theta energy: -0.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 382 Temperature: 1.050000 Total energy: -33.934824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.934824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.934824 (E_RNA) where: Base-Base interactions energy: -11.931 where: short stacking energy: -11.931 Base-Backbone interact. energy: -0.000 local terms energy: -22.003860 where: bonds (distance) C4'-P energy: -4.555 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -3.657 flat angles P-C4'-P energy: -2.863 tors. eta vs tors. theta energy: -5.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 382 Temperature: 1.100000 Total energy: -33.662652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.662652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.662652 (E_RNA) where: Base-Base interactions energy: -12.692 where: short stacking energy: -12.692 Base-Backbone interact. energy: -0.003 local terms energy: -20.966967 where: bonds (distance) C4'-P energy: -5.159 bonds (distance) P-C4' energy: -5.759 flat angles C4'-P-C4' energy: -5.416 flat angles P-C4'-P energy: -4.040 tors. eta vs tors. theta energy: -0.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 382 Temperature: 1.150000 Total energy: -25.477193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.477193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.477193 (E_RNA) where: Base-Base interactions energy: -8.841 where: short stacking energy: -8.841 Base-Backbone interact. energy: -0.030 local terms energy: -16.606274 where: bonds (distance) C4'-P energy: -5.167 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -3.624 flat angles P-C4'-P energy: -1.767 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: 7, replica: 5 ===================================== Write number: 382 Temperature: 1.200000 Total energy: -31.586900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.586900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.586900 (E_RNA) where: Base-Base interactions energy: -14.865 where: short stacking energy: -14.865 Base-Backbone interact. energy: -0.000 local terms energy: -16.722347 where: bonds (distance) C4'-P energy: -3.863 bonds (distance) P-C4' energy: -4.702 flat angles C4'-P-C4' energy: -2.811 flat angles P-C4'-P energy: -2.518 tors. eta vs tors. theta energy: -2.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 382 Temperature: 1.250000 Total energy: -28.166491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.166491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.166491 (E_RNA) where: Base-Base interactions energy: -8.070 where: short stacking energy: -8.070 Base-Backbone interact. energy: -0.219 local terms energy: -19.877571 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.401 flat angles P-C4'-P energy: -3.725 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: 9, replica: 1 ===================================== Write number: 382 Temperature: 1.300000 Total energy: -24.160718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.160718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.160718 (E_RNA) where: Base-Base interactions energy: -4.284 where: short stacking energy: -4.284 Base-Backbone interact. energy: -0.004 local terms energy: -19.872605 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.175 flat angles P-C4'-P energy: -2.794 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: 10, replica: 2 ===================================== Write number: 382 Temperature: 1.350000 Total energy: -28.440991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.440991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.440991 (E_RNA) where: Base-Base interactions energy: -11.013 where: short stacking energy: -11.013 Base-Backbone interact. energy: -0.098 local terms energy: -17.330030 where: bonds (distance) C4'-P energy: -2.729 bonds (distance) P-C4' energy: -4.240 flat angles C4'-P-C4' energy: -4.147 flat angles P-C4'-P energy: -3.907 tors. eta vs tors. theta energy: -2.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 383 Temperature: 0.900000 Total energy: -31.332154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.332154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.332154 (E_RNA) where: Base-Base interactions energy: -7.611 where: short stacking energy: -7.611 Base-Backbone interact. energy: -0.099 local terms energy: -23.622878 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.384 flat angles P-C4'-P energy: -4.872 tors. eta vs tors. theta energy: -3.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 383 Temperature: 0.950000 Total energy: -36.962575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.962575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.962575 (E_RNA) where: Base-Base interactions energy: -12.051 where: short stacking energy: -12.051 Base-Backbone interact. energy: -0.000 local terms energy: -24.911844 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.573 flat angles P-C4'-P energy: -2.737 tors. eta vs tors. theta energy: -6.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 383 Temperature: 1.000000 Total energy: -31.797084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.797084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.797084 (E_RNA) where: Base-Base interactions energy: -11.778 where: short stacking energy: -11.778 Base-Backbone interact. energy: -0.031 local terms energy: -19.987721 where: bonds (distance) C4'-P energy: -3.080 bonds (distance) P-C4' energy: -5.305 flat angles C4'-P-C4' energy: -4.574 flat angles P-C4'-P energy: -3.274 tors. eta vs tors. theta energy: -3.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 383 Temperature: 1.050000 Total energy: -35.656803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.656803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.656803 (E_RNA) where: Base-Base interactions energy: -14.179 where: short stacking energy: -14.179 Base-Backbone interact. energy: -0.000 local terms energy: -21.477665 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -3.271 flat angles P-C4'-P energy: -4.093 tors. eta vs tors. theta energy: -4.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 383 Temperature: 1.100000 Total energy: -27.133501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.133501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.133501 (E_RNA) where: Base-Base interactions energy: -7.019 where: short stacking energy: -6.258 Base-Backbone interact. energy: -0.164 local terms energy: -19.950755 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -4.022 flat angles C4'-P-C4' energy: -5.658 flat angles P-C4'-P energy: -3.242 tors. eta vs tors. theta energy: -2.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 383 Temperature: 1.150000 Total energy: -28.672758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.672758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.672758 (E_RNA) where: Base-Base interactions energy: -8.155 where: short stacking energy: -8.155 Base-Backbone interact. energy: -0.006 local terms energy: -20.511948 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -5.420 flat angles P-C4'-P energy: -3.042 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: 7, replica: 6 ===================================== Write number: 383 Temperature: 1.200000 Total energy: -29.638931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.638931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.638931 (E_RNA) where: Base-Base interactions energy: -9.450 where: short stacking energy: -9.450 Base-Backbone interact. energy: -0.001 local terms energy: -20.188354 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -4.832 flat angles C4'-P-C4' energy: -5.079 flat angles P-C4'-P energy: -4.338 tors. eta vs tors. theta energy: -0.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 383 Temperature: 1.250000 Total energy: -26.474012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.474012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.474012 (E_RNA) where: Base-Base interactions energy: -7.280 where: short stacking energy: -7.280 Base-Backbone interact. energy: -0.104 local terms energy: -19.089575 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.231 flat angles C4'-P-C4' energy: -4.491 flat angles P-C4'-P energy: -2.275 tors. eta vs tors. theta energy: -1.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 383 Temperature: 1.300000 Total energy: -24.149926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.149926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.149926 (E_RNA) where: Base-Base interactions energy: -7.158 where: short stacking energy: -7.158 Base-Backbone interact. energy: -0.009 local terms energy: -16.983057 where: bonds (distance) C4'-P energy: -3.428 bonds (distance) P-C4' energy: -5.470 flat angles C4'-P-C4' energy: -4.902 flat angles P-C4'-P energy: -4.196 tors. eta vs tors. theta energy: 1.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 383 Temperature: 1.350000 Total energy: -28.320822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.320822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.320822 (E_RNA) where: Base-Base interactions energy: -10.064 where: short stacking energy: -10.064 Base-Backbone interact. energy: -0.000 local terms energy: -18.256563 where: bonds (distance) C4'-P energy: -3.723 bonds (distance) P-C4' energy: -3.497 flat angles C4'-P-C4' energy: -4.971 flat angles P-C4'-P energy: -2.922 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: 1, replica: 3 ===================================== Write number: 384 Temperature: 0.900000 Total energy: -38.325149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.325149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.325149 (E_RNA) where: Base-Base interactions energy: -15.558 where: short stacking energy: -15.558 Base-Backbone interact. energy: -0.000 local terms energy: -22.767382 where: bonds (distance) C4'-P energy: -4.451 bonds (distance) P-C4' energy: -5.234 flat angles C4'-P-C4' energy: -5.290 flat angles P-C4'-P energy: -1.902 tors. eta vs tors. theta energy: -5.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 384 Temperature: 0.950000 Total energy: -34.760764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.760764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.760764 (E_RNA) where: Base-Base interactions energy: -12.510 where: short stacking energy: -12.510 Base-Backbone interact. energy: -0.002 local terms energy: -22.248568 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.312 flat angles P-C4'-P energy: -3.274 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: 3, replica: 7 ===================================== Write number: 384 Temperature: 1.000000 Total energy: -28.839735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.839735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.839735 (E_RNA) where: Base-Base interactions energy: -9.545 where: short stacking energy: -9.545 Base-Backbone interact. energy: -0.063 local terms energy: -19.231626 where: bonds (distance) C4'-P energy: -4.413 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -5.039 flat angles P-C4'-P energy: -2.512 tors. eta vs tors. theta energy: -1.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 384 Temperature: 1.050000 Total energy: -32.914606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.914606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.914606 (E_RNA) where: Base-Base interactions energy: -9.764 where: short stacking energy: -9.764 Base-Backbone interact. energy: -0.000 local terms energy: -23.150531 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.750 flat angles P-C4'-P energy: -4.032 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: 5 ===================================== Write number: 384 Temperature: 1.100000 Total energy: -31.554654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.554654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.554654 (E_RNA) where: Base-Base interactions energy: -10.730 where: short stacking energy: -10.730 Base-Backbone interact. energy: -0.091 local terms energy: -20.733926 where: bonds (distance) C4'-P energy: -5.089 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -5.260 flat angles P-C4'-P energy: -2.588 tors. eta vs tors. theta energy: -2.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 384 Temperature: 1.150000 Total energy: -28.767493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.767493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.767493 (E_RNA) where: Base-Base interactions energy: -10.861 where: short stacking energy: -10.861 Base-Backbone interact. energy: -0.009 local terms energy: -17.898096 where: bonds (distance) C4'-P energy: -4.397 bonds (distance) P-C4' energy: -5.333 flat angles C4'-P-C4' energy: -4.434 flat angles P-C4'-P energy: -2.229 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: 7, replica: 10 ===================================== Write number: 384 Temperature: 1.200000 Total energy: -25.864918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.864918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.864918 (E_RNA) where: Base-Base interactions energy: -7.584 where: short stacking energy: -7.584 Base-Backbone interact. energy: -0.000 local terms energy: -18.280397 where: bonds (distance) C4'-P energy: -4.493 bonds (distance) P-C4' energy: -5.491 flat angles C4'-P-C4' energy: -3.053 flat angles P-C4'-P energy: -2.932 tors. eta vs tors. theta energy: -2.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 384 Temperature: 1.250000 Total energy: -25.725728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.725728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.725728 (E_RNA) where: Base-Base interactions energy: -6.600 where: short stacking energy: -6.600 Base-Backbone interact. energy: -0.085 local terms energy: -19.039956 where: bonds (distance) C4'-P energy: -4.679 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.023 flat angles P-C4'-P energy: -3.571 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: 2 ===================================== Write number: 384 Temperature: 1.300000 Total energy: -23.692029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.692029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.692029 (E_RNA) where: Base-Base interactions energy: -7.407 where: short stacking energy: -7.579 Base-Backbone interact. energy: -0.062 local terms energy: -16.223130 where: bonds (distance) C4'-P energy: -3.035 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -4.924 flat angles P-C4'-P energy: -0.564 tors. eta vs tors. theta energy: -2.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 384 Temperature: 1.350000 Total energy: -26.151439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.151439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.151439 (E_RNA) where: Base-Base interactions energy: -6.515 where: short stacking energy: -6.515 Base-Backbone interact. energy: -0.030 local terms energy: -19.606587 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -2.993 flat angles C4'-P-C4' energy: -4.458 flat angles P-C4'-P energy: -4.310 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: 1, replica: 3 ===================================== Write number: 385 Temperature: 0.900000 Total energy: -33.947054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.947054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.947054 (E_RNA) where: Base-Base interactions energy: -11.733 where: short stacking energy: -11.733 Base-Backbone interact. energy: -0.005 local terms energy: -22.208558 where: bonds (distance) C4'-P energy: -5.018 bonds (distance) P-C4' energy: -5.566 flat angles C4'-P-C4' energy: -5.450 flat angles P-C4'-P energy: -3.238 tors. eta vs tors. theta energy: -2.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 385 Temperature: 0.950000 Total energy: -33.081546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.081546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.081546 (E_RNA) where: Base-Base interactions energy: -11.082 where: short stacking energy: -11.082 Base-Backbone interact. energy: -0.000 local terms energy: -21.999906 where: bonds (distance) C4'-P energy: -3.818 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.715 flat angles P-C4'-P energy: -2.270 tors. eta vs tors. theta energy: -4.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 385 Temperature: 1.000000 Total energy: -34.348980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.348980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.348980 (E_RNA) where: Base-Base interactions energy: -11.549 where: short stacking energy: -11.549 Base-Backbone interact. energy: -0.000 local terms energy: -22.800063 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -4.681 flat angles C4'-P-C4' energy: -5.077 flat angles P-C4'-P energy: -4.361 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: 4, replica: 5 ===================================== Write number: 385 Temperature: 1.050000 Total energy: -28.814526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.814526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.814526 (E_RNA) where: Base-Base interactions energy: -10.649 where: short stacking energy: -10.649 Base-Backbone interact. energy: -0.004 local terms energy: -18.162174 where: bonds (distance) C4'-P energy: -2.514 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -3.996 flat angles P-C4'-P energy: -3.061 tors. eta vs tors. theta energy: -2.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 385 Temperature: 1.100000 Total energy: -31.081939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.081939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.081939 (E_RNA) where: Base-Base interactions energy: -8.933 where: short stacking energy: -8.933 Base-Backbone interact. energy: -0.000 local terms energy: -22.148580 where: bonds (distance) C4'-P energy: -3.607 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -5.432 flat angles P-C4'-P energy: -2.906 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: 6, replica: 10 ===================================== Write number: 385 Temperature: 1.150000 Total energy: -26.761204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.761204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.761204 (E_RNA) where: Base-Base interactions energy: -4.642 where: short stacking energy: -4.642 Base-Backbone interact. energy: -0.004 local terms energy: -22.115878 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.918 flat angles P-C4'-P energy: -3.520 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: 7, replica: 9 ===================================== Write number: 385 Temperature: 1.200000 Total energy: -27.416871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.416871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.416871 (E_RNA) where: Base-Base interactions energy: -7.765 where: short stacking energy: -7.828 Base-Backbone interact. energy: -0.000 local terms energy: -19.651447 where: bonds (distance) C4'-P energy: -3.297 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.605 flat angles P-C4'-P energy: -4.560 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: 8, replica: 2 ===================================== Write number: 385 Temperature: 1.250000 Total energy: -25.218497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.218497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.218497 (E_RNA) where: Base-Base interactions energy: -2.569 where: short stacking energy: -2.569 Base-Backbone interact. energy: -0.000 local terms energy: -22.649410 where: bonds (distance) C4'-P energy: -5.027 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -4.095 flat angles P-C4'-P energy: -4.063 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: 9, replica: 6 ===================================== Write number: 385 Temperature: 1.300000 Total energy: -30.072418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.072418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.072418 (E_RNA) where: Base-Base interactions energy: -10.178 where: short stacking energy: -10.178 Base-Backbone interact. energy: -0.066 local terms energy: -19.827847 where: bonds (distance) C4'-P energy: -4.663 bonds (distance) P-C4' energy: -2.768 flat angles C4'-P-C4' energy: -4.142 flat angles P-C4'-P energy: -4.295 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: 1 ===================================== Write number: 385 Temperature: 1.350000 Total energy: -25.165772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.165772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.165772 (E_RNA) where: Base-Base interactions energy: -6.615 where: short stacking energy: -6.615 Base-Backbone interact. energy: -0.072 local terms energy: -18.479201 where: bonds (distance) C4'-P energy: -5.089 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -5.115 flat angles P-C4'-P energy: -2.134 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: 4 ===================================== Write number: 386 Temperature: 0.900000 Total energy: -38.676154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.676154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.676154 (E_RNA) where: Base-Base interactions energy: -15.253 where: short stacking energy: -15.253 Base-Backbone interact. energy: -0.000 local terms energy: -23.423128 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -4.728 flat angles P-C4'-P energy: -3.363 tors. eta vs tors. theta energy: -4.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 386 Temperature: 0.950000 Total energy: -32.006784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.006784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.006784 (E_RNA) where: Base-Base interactions energy: -7.930 where: short stacking energy: -7.930 Base-Backbone interact. energy: -0.000 local terms energy: -24.076753 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -4.835 flat angles C4'-P-C4' energy: -5.456 flat angles P-C4'-P energy: -4.145 tors. eta vs tors. theta energy: -4.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 386 Temperature: 1.000000 Total energy: -33.037956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.037956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.037956 (E_RNA) where: Base-Base interactions energy: -15.064 where: short stacking energy: -15.064 Base-Backbone interact. energy: -0.100 local terms energy: -17.873431 where: bonds (distance) C4'-P energy: -4.021 bonds (distance) P-C4' energy: -4.942 flat angles C4'-P-C4' energy: -5.261 flat angles P-C4'-P energy: -2.141 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: 4, replica: 7 ===================================== Write number: 386 Temperature: 1.050000 Total energy: -28.572187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.572187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.572187 (E_RNA) where: Base-Base interactions energy: -7.957 where: short stacking energy: -7.957 Base-Backbone interact. energy: -0.053 local terms energy: -20.562600 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -4.832 flat angles C4'-P-C4' energy: -4.548 flat angles P-C4'-P energy: -3.525 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: 5, replica: 10 ===================================== Write number: 386 Temperature: 1.100000 Total energy: -35.191310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.191310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.191310 (E_RNA) where: Base-Base interactions energy: -12.391 where: short stacking energy: -12.699 Base-Backbone interact. energy: -0.000 local terms energy: -22.799812 where: bonds (distance) C4'-P energy: -5.498 bonds (distance) P-C4' energy: -5.491 flat angles C4'-P-C4' energy: -5.421 flat angles P-C4'-P energy: -4.380 tors. eta vs tors. theta energy: -2.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 386 Temperature: 1.150000 Total energy: -27.082774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.082774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.082774 (E_RNA) where: Base-Base interactions energy: -8.009 where: short stacking energy: -8.009 Base-Backbone interact. energy: -0.001 local terms energy: -19.073155 where: bonds (distance) C4'-P energy: -4.778 bonds (distance) P-C4' energy: -4.783 flat angles C4'-P-C4' energy: -4.077 flat angles P-C4'-P energy: -2.657 tors. eta vs tors. theta energy: -2.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 386 Temperature: 1.200000 Total energy: -25.542540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.542540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.542540 (E_RNA) where: Base-Base interactions energy: -6.695 where: short stacking energy: -6.695 Base-Backbone interact. energy: -0.030 local terms energy: -18.817453 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.202 flat angles C4'-P-C4' energy: -2.424 flat angles P-C4'-P energy: -3.339 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: 8, replica: 9 ===================================== Write number: 386 Temperature: 1.250000 Total energy: -31.145825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.145825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.145825 (E_RNA) where: Base-Base interactions energy: -10.028 where: short stacking energy: -10.028 Base-Backbone interact. energy: -0.000 local terms energy: -21.118159 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -3.748 flat angles P-C4'-P energy: -3.555 tors. eta vs tors. theta energy: -2.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 386 Temperature: 1.300000 Total energy: -26.257211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.257211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.257211 (E_RNA) where: Base-Base interactions energy: -6.863 where: short stacking energy: -6.863 Base-Backbone interact. energy: -0.000 local terms energy: -19.393692 where: bonds (distance) C4'-P energy: -2.659 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -3.483 flat angles P-C4'-P energy: -3.866 tors. eta vs tors. theta energy: -3.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 386 Temperature: 1.350000 Total energy: -24.305315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.305315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.305315 (E_RNA) where: Base-Base interactions energy: -5.562 where: short stacking energy: -5.562 Base-Backbone interact. energy: -0.003 local terms energy: -18.740476 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -5.244 flat angles P-C4'-P energy: -1.569 tors. eta vs tors. theta energy: -0.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 387 Temperature: 0.900000 Total energy: -33.631465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.631465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.631465 (E_RNA) where: Base-Base interactions energy: -11.508 where: short stacking energy: -11.508 Base-Backbone interact. energy: -0.002 local terms energy: -22.121512 where: bonds (distance) C4'-P energy: -3.305 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.795 flat angles P-C4'-P energy: -3.792 tors. eta vs tors. theta energy: -4.223 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: 2, replica: 5 ===================================== Write number: 387 Temperature: 0.950000 Total energy: -30.621517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.621517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.621517 (E_RNA) where: Base-Base interactions energy: -10.953 where: short stacking energy: -10.953 Base-Backbone interact. energy: -0.000 local terms energy: -19.668672 where: bonds (distance) C4'-P energy: -4.132 bonds (distance) P-C4' energy: -5.029 flat angles C4'-P-C4' energy: -4.551 flat angles P-C4'-P energy: -4.189 tors. eta vs tors. theta energy: -1.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 387 Temperature: 1.000000 Total energy: -38.764202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.764202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.764202 (E_RNA) where: Base-Base interactions energy: -14.631 where: short stacking energy: -14.631 Base-Backbone interact. energy: -0.000 local terms energy: -24.133276 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -5.547 flat angles C4'-P-C4' energy: -4.991 flat angles P-C4'-P energy: -2.281 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: 4, replica: 10 ===================================== Write number: 387 Temperature: 1.050000 Total energy: -29.245853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.245853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.245853 (E_RNA) where: Base-Base interactions energy: -9.639 where: short stacking energy: -9.639 Base-Backbone interact. energy: -0.000 local terms energy: -19.606337 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -4.401 flat angles P-C4'-P energy: -2.071 tors. eta vs tors. theta energy: -2.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 387 Temperature: 1.100000 Total energy: -28.561298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.561298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.561298 (E_RNA) where: Base-Base interactions energy: -8.118 where: short stacking energy: -8.118 Base-Backbone interact. energy: -0.000 local terms energy: -20.443479 where: bonds (distance) C4'-P energy: -2.496 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.838 flat angles P-C4'-P energy: -4.267 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: 6, replica: 8 ===================================== Write number: 387 Temperature: 1.150000 Total energy: -33.007281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.007281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.007281 (E_RNA) where: Base-Base interactions energy: -11.256 where: short stacking energy: -11.256 Base-Backbone interact. energy: -0.094 local terms energy: -21.657123 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -5.418 flat angles P-C4'-P energy: -2.504 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: 7, replica: 2 ===================================== Write number: 387 Temperature: 1.200000 Total energy: -29.753384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.753384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.753384 (E_RNA) where: Base-Base interactions energy: -11.467 where: short stacking energy: -11.467 Base-Backbone interact. energy: -0.002 local terms energy: -18.284940 where: bonds (distance) C4'-P energy: -4.307 bonds (distance) P-C4' energy: -5.494 flat angles C4'-P-C4' energy: -5.012 flat angles P-C4'-P energy: -1.404 tors. eta vs tors. theta energy: -2.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 387 Temperature: 1.250000 Total energy: -27.751415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.751415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.751415 (E_RNA) where: Base-Base interactions energy: -8.724 where: short stacking energy: -8.724 Base-Backbone interact. energy: -0.000 local terms energy: -19.027049 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -4.639 flat angles C4'-P-C4' energy: -4.656 flat angles P-C4'-P energy: -1.990 tors. eta vs tors. theta energy: -2.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 387 Temperature: 1.300000 Total energy: -28.562948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.562948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.562948 (E_RNA) where: Base-Base interactions energy: -7.883 where: short stacking energy: -7.883 Base-Backbone interact. energy: -0.176 local terms energy: -20.503597 where: bonds (distance) C4'-P energy: -4.663 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -4.954 flat angles P-C4'-P energy: -2.760 tors. eta vs tors. theta energy: -2.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 387 Temperature: 1.350000 Total energy: -24.668318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.668318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.668318 (E_RNA) where: Base-Base interactions energy: -7.142 where: short stacking energy: -7.142 Base-Backbone interact. energy: -0.000 local terms energy: -17.526372 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -5.516 flat angles C4'-P-C4' energy: -3.975 flat angles P-C4'-P energy: -2.732 tors. eta vs tors. theta energy: -0.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 388 Temperature: 0.900000 Total energy: -39.010741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.010741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.010741 (E_RNA) where: Base-Base interactions energy: -14.600 where: short stacking energy: -14.600 Base-Backbone interact. energy: -0.000 local terms energy: -24.410762 where: bonds (distance) C4'-P energy: -5.304 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -5.333 flat angles P-C4'-P energy: -4.091 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: 388 Temperature: 0.950000 Total energy: -34.109265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.109265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.109265 (E_RNA) where: Base-Base interactions energy: -12.424 where: short stacking energy: -12.424 Base-Backbone interact. energy: -0.000 local terms energy: -21.685376 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -3.636 flat angles P-C4'-P energy: -4.228 tors. eta vs tors. theta energy: -3.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 388 Temperature: 1.000000 Total energy: -36.814771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.814771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.814771 (E_RNA) where: Base-Base interactions energy: -14.223 where: short stacking energy: -14.223 Base-Backbone interact. energy: -0.000 local terms energy: -22.591625 where: bonds (distance) C4'-P energy: -4.413 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -5.091 flat angles P-C4'-P energy: -3.631 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: 4, replica: 3 ===================================== Write number: 388 Temperature: 1.050000 Total energy: -31.822967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.822967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.822967 (E_RNA) where: Base-Base interactions energy: -12.159 where: short stacking energy: -12.159 Base-Backbone interact. energy: -0.000 local terms energy: -19.664225 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -3.262 flat angles C4'-P-C4' energy: -5.474 flat angles P-C4'-P energy: -3.448 tors. eta vs tors. theta energy: -2.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 388 Temperature: 1.100000 Total energy: -31.365634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.365634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.365634 (E_RNA) where: Base-Base interactions energy: -9.688 where: short stacking energy: -9.688 Base-Backbone interact. energy: -0.000 local terms energy: -21.677767 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -4.678 flat angles C4'-P-C4' energy: -3.930 flat angles P-C4'-P energy: -4.481 tors. eta vs tors. theta energy: -3.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 388 Temperature: 1.150000 Total energy: -24.862983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.862983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.862983 (E_RNA) where: Base-Base interactions energy: -4.468 where: short stacking energy: -5.568 Base-Backbone interact. energy: -0.111 local terms energy: -20.283650 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -5.322 flat angles P-C4'-P energy: -1.348 tors. eta vs tors. theta energy: -3.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 388 Temperature: 1.200000 Total energy: -26.303471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.303471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.303471 (E_RNA) where: Base-Base interactions energy: -8.523 where: short stacking energy: -8.523 Base-Backbone interact. energy: -0.009 local terms energy: -17.772104 where: bonds (distance) C4'-P energy: -4.513 bonds (distance) P-C4' energy: -3.761 flat angles C4'-P-C4' energy: -3.894 flat angles P-C4'-P energy: -2.983 tors. eta vs tors. theta energy: -2.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 388 Temperature: 1.250000 Total energy: -26.245041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.245041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.245041 (E_RNA) where: Base-Base interactions energy: -12.070 where: short stacking energy: -12.070 Base-Backbone interact. energy: -0.003 local terms energy: -14.172163 where: bonds (distance) C4'-P energy: -3.934 bonds (distance) P-C4' energy: -3.525 flat angles C4'-P-C4' energy: -4.076 flat angles P-C4'-P energy: -3.761 tors. eta vs tors. theta energy: 1.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 388 Temperature: 1.300000 Total energy: -27.691102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.691102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.691102 (E_RNA) where: Base-Base interactions energy: -8.010 where: short stacking energy: -8.445 Base-Backbone interact. energy: -0.000 local terms energy: -19.680439 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -3.244 flat angles P-C4'-P energy: -2.907 tors. eta vs tors. theta energy: -2.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 388 Temperature: 1.350000 Total energy: -22.851004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.851004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.851004 (E_RNA) where: Base-Base interactions energy: -7.942 where: short stacking energy: -8.542 Base-Backbone interact. energy: -0.064 local terms energy: -14.845017 where: bonds (distance) C4'-P energy: -2.514 bonds (distance) P-C4' energy: -5.540 flat angles C4'-P-C4' energy: -4.848 flat angles P-C4'-P energy: -3.774 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: 5 ===================================== Write number: 389 Temperature: 0.900000 Total energy: -40.153468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.153468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.153468 (E_RNA) where: Base-Base interactions energy: -17.067 where: short stacking energy: -17.067 Base-Backbone interact. energy: -0.000 local terms energy: -23.086707 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -4.797 flat angles P-C4'-P energy: -3.529 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: 2, replica: 10 ===================================== Write number: 389 Temperature: 0.950000 Total energy: -32.929923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.929923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.929923 (E_RNA) where: Base-Base interactions energy: -11.102 where: short stacking energy: -11.102 Base-Backbone interact. energy: -0.005 local terms energy: -21.822055 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.000 flat angles P-C4'-P energy: -2.479 tors. eta vs tors. theta energy: -2.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 389 Temperature: 1.000000 Total energy: -35.131630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.131630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.131630 (E_RNA) where: Base-Base interactions energy: -12.455 where: short stacking energy: -12.455 Base-Backbone interact. energy: 0.265 local terms energy: -22.941630 where: bonds (distance) C4'-P energy: -4.609 bonds (distance) P-C4' energy: -5.065 flat angles C4'-P-C4' energy: -4.994 flat angles P-C4'-P energy: -3.786 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: 4, replica: 8 ===================================== Write number: 389 Temperature: 1.050000 Total energy: -37.326050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.326050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.326050 (E_RNA) where: Base-Base interactions energy: -14.532 where: short stacking energy: -14.532 Base-Backbone interact. energy: -0.000 local terms energy: -22.794446 where: bonds (distance) C4'-P energy: -4.137 bonds (distance) P-C4' energy: -4.618 flat angles C4'-P-C4' energy: -5.524 flat angles P-C4'-P energy: -3.903 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: 5, replica: 3 ===================================== Write number: 389 Temperature: 1.100000 Total energy: -40.703045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.703045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.703045 (E_RNA) where: Base-Base interactions energy: -15.361 where: short stacking energy: -15.361 Base-Backbone interact. energy: -0.000 local terms energy: -25.342216 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -5.235 flat angles P-C4'-P energy: -3.822 tors. eta vs tors. theta energy: -6.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 389 Temperature: 1.150000 Total energy: -28.992196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.992196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.992196 (E_RNA) where: Base-Base interactions energy: -11.425 where: short stacking energy: -11.425 Base-Backbone interact. energy: -0.000 local terms energy: -17.566764 where: bonds (distance) C4'-P energy: -2.949 bonds (distance) P-C4' energy: -3.726 flat angles C4'-P-C4' energy: -4.590 flat angles P-C4'-P energy: -3.968 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: 7 ===================================== Write number: 389 Temperature: 1.200000 Total energy: -27.273595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.273595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.273595 (E_RNA) where: Base-Base interactions energy: -12.532 where: short stacking energy: -12.532 Base-Backbone interact. energy: -0.000 local terms energy: -14.741499 where: bonds (distance) C4'-P energy: -4.538 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: 0.020 flat angles P-C4'-P energy: -2.415 tors. eta vs tors. theta energy: -2.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 389 Temperature: 1.250000 Total energy: -27.979075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.979075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.979075 (E_RNA) where: Base-Base interactions energy: -8.038 where: short stacking energy: -8.038 Base-Backbone interact. energy: -0.000 local terms energy: -19.941128 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -4.381 flat angles C4'-P-C4' energy: -4.676 flat angles P-C4'-P energy: -3.451 tors. eta vs tors. theta energy: -2.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 389 Temperature: 1.300000 Total energy: -31.319320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.319320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.319320 (E_RNA) where: Base-Base interactions energy: -10.734 where: short stacking energy: -10.734 Base-Backbone interact. energy: -0.000 local terms energy: -20.585006 where: bonds (distance) C4'-P energy: -3.892 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -3.632 flat angles P-C4'-P energy: -3.477 tors. eta vs tors. theta energy: -4.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 389 Temperature: 1.350000 Total energy: -24.466310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.466310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.466310 (E_RNA) where: Base-Base interactions energy: -7.008 where: short stacking energy: -7.008 Base-Backbone interact. energy: -0.010 local terms energy: -17.448066 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -4.811 flat angles C4'-P-C4' energy: -5.632 flat angles P-C4'-P energy: -3.705 tors. eta vs tors. theta energy: 2.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 390 Temperature: 0.900000 Total energy: -37.627226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.627226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.627226 (E_RNA) where: Base-Base interactions energy: -14.829 where: short stacking energy: -14.829 Base-Backbone interact. energy: -0.000 local terms energy: -22.798585 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -4.662 flat angles P-C4'-P energy: -4.059 tors. eta vs tors. theta energy: -3.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 390 Temperature: 0.950000 Total energy: -36.734741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.734741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.734741 (E_RNA) where: Base-Base interactions energy: -14.032 where: short stacking energy: -14.032 Base-Backbone interact. energy: -0.003 local terms energy: -22.699752 where: bonds (distance) C4'-P energy: -4.609 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.530 flat angles P-C4'-P energy: -4.361 tors. eta vs tors. theta energy: -2.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 390 Temperature: 1.000000 Total energy: -33.958185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.958185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.958185 (E_RNA) where: Base-Base interactions energy: -12.519 where: short stacking energy: -12.519 Base-Backbone interact. energy: -0.003 local terms energy: -21.435661 where: bonds (distance) C4'-P energy: -3.723 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.145 flat angles P-C4'-P energy: -3.959 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: 4 ===================================== Write number: 390 Temperature: 1.050000 Total energy: -34.737961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.737961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.737961 (E_RNA) where: Base-Base interactions energy: -13.795 where: short stacking energy: -13.795 Base-Backbone interact. energy: -0.000 local terms energy: -20.942410 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -3.170 flat angles C4'-P-C4' energy: -4.051 flat angles P-C4'-P energy: -3.194 tors. eta vs tors. theta energy: -5.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 390 Temperature: 1.100000 Total energy: -33.415834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.415834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.415834 (E_RNA) where: Base-Base interactions energy: -10.745 where: short stacking energy: -10.745 Base-Backbone interact. energy: -0.000 local terms energy: -22.670999 where: bonds (distance) C4'-P energy: -4.628 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -5.290 flat angles P-C4'-P energy: -4.667 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: 6, replica: 3 ===================================== Write number: 390 Temperature: 1.150000 Total energy: -25.188958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.188958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.188958 (E_RNA) where: Base-Base interactions energy: -3.951 where: short stacking energy: -3.951 Base-Backbone interact. energy: -0.003 local terms energy: -21.234952 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -5.028 flat angles P-C4'-P energy: -3.100 tors. eta vs tors. theta energy: -1.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 390 Temperature: 1.200000 Total energy: -27.044792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.044792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.044792 (E_RNA) where: Base-Base interactions energy: -5.809 where: short stacking energy: -5.809 Base-Backbone interact. energy: -0.066 local terms energy: -21.169810 where: bonds (distance) C4'-P energy: -4.795 bonds (distance) P-C4' energy: -5.336 flat angles C4'-P-C4' energy: -4.873 flat angles P-C4'-P energy: -4.450 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: 8, replica: 7 ===================================== Write number: 390 Temperature: 1.250000 Total energy: -27.378162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.378162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.378162 (E_RNA) where: Base-Base interactions energy: -9.354 where: short stacking energy: -9.354 Base-Backbone interact. energy: -0.000 local terms energy: -18.023807 where: bonds (distance) C4'-P energy: -3.374 bonds (distance) P-C4' energy: -3.956 flat angles C4'-P-C4' energy: -4.009 flat angles P-C4'-P energy: -3.542 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: 9, replica: 1 ===================================== Write number: 390 Temperature: 1.300000 Total energy: -30.890570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.890570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.890570 (E_RNA) where: Base-Base interactions energy: -11.652 where: short stacking energy: -12.290 Base-Backbone interact. energy: -0.002 local terms energy: -19.236412 where: bonds (distance) C4'-P energy: -2.468 bonds (distance) P-C4' energy: -3.503 flat angles C4'-P-C4' energy: -5.399 flat angles P-C4'-P energy: -3.927 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: 10, replica: 2 ===================================== Write number: 390 Temperature: 1.350000 Total energy: -26.834813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.834813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.834813 (E_RNA) where: Base-Base interactions energy: -7.028 where: short stacking energy: -7.028 Base-Backbone interact. energy: -0.000 local terms energy: -19.806792 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.657 flat angles P-C4'-P energy: -3.862 tors. eta vs tors. theta energy: 0.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 391 Temperature: 0.900000 Total energy: -29.727165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.727165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.727165 (E_RNA) where: Base-Base interactions energy: -5.494 where: short stacking energy: -5.494 Base-Backbone interact. energy: 0.547 local terms energy: -24.780588 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -4.990 flat angles P-C4'-P energy: -4.298 tors. eta vs tors. theta energy: -4.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 391 Temperature: 0.950000 Total energy: -34.412856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.412856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.412856 (E_RNA) where: Base-Base interactions energy: -12.813 where: short stacking energy: -12.813 Base-Backbone interact. energy: -0.013 local terms energy: -21.587371 where: bonds (distance) C4'-P energy: -4.513 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.185 flat angles P-C4'-P energy: -4.203 tors. eta vs tors. theta energy: -1.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 391 Temperature: 1.000000 Total energy: -32.394247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.394247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.394247 (E_RNA) where: Base-Base interactions energy: -11.055 where: short stacking energy: -11.055 Base-Backbone interact. energy: -0.011 local terms energy: -21.328587 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.619 flat angles P-C4'-P energy: -3.900 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: 4, replica: 9 ===================================== Write number: 391 Temperature: 1.050000 Total energy: -34.152576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.152576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.152576 (E_RNA) where: Base-Base interactions energy: -13.181 where: short stacking energy: -13.181 Base-Backbone interact. energy: -0.000 local terms energy: -20.971391 where: bonds (distance) C4'-P energy: -3.578 bonds (distance) P-C4' energy: -5.783 flat angles C4'-P-C4' energy: -5.220 flat angles P-C4'-P energy: -1.542 tors. eta vs tors. theta energy: -4.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 391 Temperature: 1.100000 Total energy: -31.105618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.105618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.105618 (E_RNA) where: Base-Base interactions energy: -11.616 where: short stacking energy: -11.616 Base-Backbone interact. energy: -0.015 local terms energy: -19.474368 where: bonds (distance) C4'-P energy: -3.830 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -4.811 flat angles P-C4'-P energy: -3.392 tors. eta vs tors. theta energy: -1.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 391 Temperature: 1.150000 Total energy: -27.611642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.611642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.611642 (E_RNA) where: Base-Base interactions energy: -7.538 where: short stacking energy: -7.538 Base-Backbone interact. energy: -0.005 local terms energy: -20.069427 where: bonds (distance) C4'-P energy: -3.776 bonds (distance) P-C4' energy: -4.875 flat angles C4'-P-C4' energy: -4.055 flat angles P-C4'-P energy: -4.676 tors. eta vs tors. theta energy: -2.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 391 Temperature: 1.200000 Total energy: -26.274571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.274571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.274571 (E_RNA) where: Base-Base interactions energy: -8.074 where: short stacking energy: -8.074 Base-Backbone interact. energy: -0.000 local terms energy: -18.200290 where: bonds (distance) C4'-P energy: -4.744 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -3.502 flat angles P-C4'-P energy: -3.296 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: 1 ===================================== Write number: 391 Temperature: 1.250000 Total energy: -30.362968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.362968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.362968 (E_RNA) where: Base-Base interactions energy: -8.208 where: short stacking energy: -8.208 Base-Backbone interact. energy: -0.001 local terms energy: -22.154023 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -4.835 flat angles C4'-P-C4' energy: -4.228 flat angles P-C4'-P energy: -3.429 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: 9, replica: 7 ===================================== Write number: 391 Temperature: 1.300000 Total energy: -25.113141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.113141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.113141 (E_RNA) where: Base-Base interactions energy: -7.321 where: short stacking energy: -7.321 Base-Backbone interact. energy: -0.030 local terms energy: -17.762562 where: bonds (distance) C4'-P energy: -4.563 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -5.525 flat angles P-C4'-P energy: -1.703 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: 2 ===================================== Write number: 391 Temperature: 1.350000 Total energy: -24.388041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.388041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.388041 (E_RNA) where: Base-Base interactions energy: -8.169 where: short stacking energy: -8.169 Base-Backbone interact. energy: -0.061 local terms energy: -16.158022 where: bonds (distance) C4'-P energy: -2.410 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.376 flat angles P-C4'-P energy: -3.987 tors. eta vs tors. theta energy: 1.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 392 Temperature: 0.900000 Total energy: -39.468019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.468019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.468019 (E_RNA) where: Base-Base interactions energy: -17.266 where: short stacking energy: -17.266 Base-Backbone interact. energy: -0.000 local terms energy: -22.202133 where: bonds (distance) C4'-P energy: -3.233 bonds (distance) P-C4' energy: -5.566 flat angles C4'-P-C4' energy: -3.692 flat angles P-C4'-P energy: -3.711 tors. eta vs tors. theta energy: -6.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 392 Temperature: 0.950000 Total energy: -33.188305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.188305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.188305 (E_RNA) where: Base-Base interactions energy: -11.816 where: short stacking energy: -11.816 Base-Backbone interact. energy: -0.016 local terms energy: -21.356635 where: bonds (distance) C4'-P energy: -4.865 bonds (distance) P-C4' energy: -5.522 flat angles C4'-P-C4' energy: -3.440 flat angles P-C4'-P energy: -3.677 tors. eta vs tors. theta energy: -3.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 392 Temperature: 1.000000 Total energy: -32.614680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.614680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.614680 (E_RNA) where: Base-Base interactions energy: -11.278 where: short stacking energy: -11.278 Base-Backbone interact. energy: -0.124 local terms energy: -21.212344 where: bonds (distance) C4'-P energy: -4.609 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -5.275 flat angles P-C4'-P energy: -4.512 tors. eta vs tors. theta energy: -1.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 392 Temperature: 1.050000 Total energy: -31.354961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.354961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.354961 (E_RNA) where: Base-Base interactions energy: -9.028 where: short stacking energy: -9.028 Base-Backbone interact. energy: -0.000 local terms energy: -22.327131 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.228 flat angles P-C4'-P energy: -3.289 tors. eta vs tors. theta energy: -2.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 392 Temperature: 1.100000 Total energy: -25.984726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.984726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.984726 (E_RNA) where: Base-Base interactions energy: -6.938 where: short stacking energy: -6.938 Base-Backbone interact. energy: -0.073 local terms energy: -18.973689 where: bonds (distance) C4'-P energy: -3.826 bonds (distance) P-C4' energy: -4.557 flat angles C4'-P-C4' energy: -4.692 flat angles P-C4'-P energy: -2.513 tors. eta vs tors. theta energy: -3.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 392 Temperature: 1.150000 Total energy: -33.747904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.747904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.747904 (E_RNA) where: Base-Base interactions energy: -15.282 where: short stacking energy: -15.282 Base-Backbone interact. energy: -0.003 local terms energy: -18.463732 where: bonds (distance) C4'-P energy: -2.878 bonds (distance) P-C4' energy: -4.388 flat angles C4'-P-C4' energy: -5.450 flat angles P-C4'-P energy: -4.314 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: 7, replica: 1 ===================================== Write number: 392 Temperature: 1.200000 Total energy: -33.009561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.009561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.009561 (E_RNA) where: Base-Base interactions energy: -13.200 where: short stacking energy: -13.200 Base-Backbone interact. energy: -0.000 local terms energy: -19.808836 where: bonds (distance) C4'-P energy: -4.245 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -2.564 flat angles P-C4'-P energy: -4.269 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: 392 Temperature: 1.250000 Total energy: -30.615876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.615876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.615876 (E_RNA) where: Base-Base interactions energy: -12.171 where: short stacking energy: -12.171 Base-Backbone interact. energy: -0.000 local terms energy: -18.444366 where: bonds (distance) C4'-P energy: -4.547 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -4.290 flat angles P-C4'-P energy: -1.417 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: 9, replica: 2 ===================================== Write number: 392 Temperature: 1.300000 Total energy: -28.495840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.495840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.495840 (E_RNA) where: Base-Base interactions energy: -9.161 where: short stacking energy: -9.161 Base-Backbone interact. energy: -0.000 local terms energy: -19.335307 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -3.633 flat angles P-C4'-P energy: -2.956 tors. eta vs tors. theta energy: -1.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 392 Temperature: 1.350000 Total energy: -28.284696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.284696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.284696 (E_RNA) where: Base-Base interactions energy: -5.840 where: short stacking energy: -5.840 Base-Backbone interact. energy: -0.000 local terms energy: -22.444729 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.499 flat angles P-C4'-P energy: -3.592 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: 1, replica: 8 ===================================== Write number: 393 Temperature: 0.900000 Total energy: -37.789713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.789713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.789713 (E_RNA) where: Base-Base interactions energy: -16.143 where: short stacking energy: -16.143 Base-Backbone interact. energy: -0.000 local terms energy: -21.646550 where: bonds (distance) C4'-P energy: -4.016 bonds (distance) P-C4' energy: -5.234 flat angles C4'-P-C4' energy: -4.909 flat angles P-C4'-P energy: -3.410 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: 9 ===================================== Write number: 393 Temperature: 0.950000 Total energy: -32.312432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.312432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.312432 (E_RNA) where: Base-Base interactions energy: -10.594 where: short stacking energy: -10.594 Base-Backbone interact. energy: -0.650 local terms energy: -21.068785 where: bonds (distance) C4'-P energy: -4.421 bonds (distance) P-C4' energy: -5.336 flat angles C4'-P-C4' energy: -5.060 flat angles P-C4'-P energy: -3.524 tors. eta vs tors. theta energy: -2.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 393 Temperature: 1.000000 Total energy: -35.364431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.364431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.364431 (E_RNA) where: Base-Base interactions energy: -11.468 where: short stacking energy: -11.468 Base-Backbone interact. energy: -0.000 local terms energy: -23.896839 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -5.329 flat angles P-C4'-P energy: -4.251 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: 4, replica: 6 ===================================== Write number: 393 Temperature: 1.050000 Total energy: -28.456626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.456626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.456626 (E_RNA) where: Base-Base interactions energy: -10.569 where: short stacking energy: -10.569 Base-Backbone interact. energy: -0.000 local terms energy: -17.888108 where: bonds (distance) C4'-P energy: -3.809 bonds (distance) P-C4' energy: -4.639 flat angles C4'-P-C4' energy: -4.621 flat angles P-C4'-P energy: -4.101 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: 5, replica: 10 ===================================== Write number: 393 Temperature: 1.100000 Total energy: -27.499361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.499361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.499361 (E_RNA) where: Base-Base interactions energy: -10.782 where: short stacking energy: -10.782 Base-Backbone interact. energy: -0.000 local terms energy: -16.717756 where: bonds (distance) C4'-P energy: -2.799 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -3.257 flat angles P-C4'-P energy: -2.563 tors. eta vs tors. theta energy: -3.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 393 Temperature: 1.150000 Total energy: -28.016503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.016503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.016503 (E_RNA) where: Base-Base interactions energy: -8.135 where: short stacking energy: -8.135 Base-Backbone interact. energy: 0.532 local terms energy: -20.413942 where: bonds (distance) C4'-P energy: -5.027 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -4.856 flat angles P-C4'-P energy: -3.915 tors. eta vs tors. theta energy: -0.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 393 Temperature: 1.200000 Total energy: -28.197013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.197013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.197013 (E_RNA) where: Base-Base interactions energy: -8.417 where: short stacking energy: -8.417 Base-Backbone interact. energy: -0.045 local terms energy: -19.734459 where: bonds (distance) C4'-P energy: -3.661 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -3.949 flat angles P-C4'-P energy: -3.356 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: 8, replica: 2 ===================================== Write number: 393 Temperature: 1.250000 Total energy: -29.595991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.595991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.595991 (E_RNA) where: Base-Base interactions energy: -11.661 where: short stacking energy: -11.661 Base-Backbone interact. energy: -0.106 local terms energy: -17.828272 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -2.780 flat angles C4'-P-C4' energy: -4.355 flat angles P-C4'-P energy: -3.700 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: 9, replica: 3 ===================================== Write number: 393 Temperature: 1.300000 Total energy: -26.813781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.813781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.813781 (E_RNA) where: Base-Base interactions energy: -7.021 where: short stacking energy: -7.021 Base-Backbone interact. energy: -0.000 local terms energy: -19.793161 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -5.516 flat angles C4'-P-C4' energy: -5.206 flat angles P-C4'-P energy: -4.269 tors. eta vs tors. theta energy: 0.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 393 Temperature: 1.350000 Total energy: -24.202620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.202620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.202620 (E_RNA) where: Base-Base interactions energy: -6.755 where: short stacking energy: -6.755 Base-Backbone interact. energy: -0.000 local terms energy: -17.447501 where: bonds (distance) C4'-P energy: -4.199 bonds (distance) P-C4' energy: -3.789 flat angles C4'-P-C4' energy: -3.584 flat angles P-C4'-P energy: -3.073 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: 1, replica: 9 ===================================== Write number: 394 Temperature: 0.900000 Total energy: -36.459072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.459072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.459072 (E_RNA) where: Base-Base interactions energy: -15.394 where: short stacking energy: -15.394 Base-Backbone interact. energy: -0.058 local terms energy: -21.006816 where: bonds (distance) C4'-P energy: -5.391 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -5.039 flat angles P-C4'-P energy: -2.406 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: 2, replica: 8 ===================================== Write number: 394 Temperature: 0.950000 Total energy: -34.496934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.496934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.496934 (E_RNA) where: Base-Base interactions energy: -13.655 where: short stacking energy: -13.655 Base-Backbone interact. energy: -0.000 local terms energy: -20.841673 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -3.577 flat angles P-C4'-P energy: -3.934 tors. eta vs tors. theta energy: -2.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 394 Temperature: 1.000000 Total energy: -29.092964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.092964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.092964 (E_RNA) where: Base-Base interactions energy: -7.163 where: short stacking energy: -7.163 Base-Backbone interact. energy: -0.000 local terms energy: -21.929736 where: bonds (distance) C4'-P energy: -4.663 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -3.884 flat angles P-C4'-P energy: -2.872 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: 4, replica: 5 ===================================== Write number: 394 Temperature: 1.050000 Total energy: -31.079392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.079392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.079392 (E_RNA) where: Base-Base interactions energy: -8.017 where: short stacking energy: -8.017 Base-Backbone interact. energy: -0.000 local terms energy: -23.062210 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.800 flat angles P-C4'-P energy: -3.651 tors. eta vs tors. theta energy: -3.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 394 Temperature: 1.100000 Total energy: -28.503233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.503233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.503233 (E_RNA) where: Base-Base interactions energy: -9.297 where: short stacking energy: -9.297 Base-Backbone interact. energy: -0.006 local terms energy: -19.199872 where: bonds (distance) C4'-P energy: -3.792 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -3.680 flat angles P-C4'-P energy: -4.160 tors. eta vs tors. theta energy: -1.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 394 Temperature: 1.150000 Total energy: -31.100678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.100678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.100678 (E_RNA) where: Base-Base interactions energy: -11.743 where: short stacking energy: -11.743 Base-Backbone interact. energy: -0.001 local terms energy: -19.356618 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -5.522 flat angles C4'-P-C4' energy: -3.249 flat angles P-C4'-P energy: -3.940 tors. eta vs tors. theta energy: -1.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 394 Temperature: 1.200000 Total energy: -26.516421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.516421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.516421 (E_RNA) where: Base-Base interactions energy: -6.475 where: short stacking energy: -6.475 Base-Backbone interact. energy: -0.001 local terms energy: -20.040981 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.308 flat angles C4'-P-C4' energy: -3.168 flat angles P-C4'-P energy: -3.391 tors. eta vs tors. theta energy: -2.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 394 Temperature: 1.250000 Total energy: -27.129401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.129401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.129401 (E_RNA) where: Base-Base interactions energy: -10.323 where: short stacking energy: -10.323 Base-Backbone interact. energy: -0.181 local terms energy: -16.625829 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -4.532 flat angles C4'-P-C4' energy: -2.879 flat angles P-C4'-P energy: -3.837 tors. eta vs tors. theta energy: -0.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 394 Temperature: 1.300000 Total energy: -23.784771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.784771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.784771 (E_RNA) where: Base-Base interactions energy: -9.507 where: short stacking energy: -9.507 Base-Backbone interact. energy: -0.098 local terms energy: -14.179545 where: bonds (distance) C4'-P energy: -5.275 bonds (distance) P-C4' energy: -2.452 flat angles C4'-P-C4' energy: -4.312 flat angles P-C4'-P energy: -1.538 tors. eta vs tors. theta energy: -0.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 394 Temperature: 1.350000 Total energy: -23.014539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.014539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.014539 (E_RNA) where: Base-Base interactions energy: -3.821 where: short stacking energy: -3.821 Base-Backbone interact. energy: -0.012 local terms energy: -19.180878 where: bonds (distance) C4'-P energy: -3.341 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.677 flat angles P-C4'-P energy: -3.862 tors. eta vs tors. theta energy: -1.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 395 Temperature: 0.900000 Total energy: -36.002090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.002090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.002090 (E_RNA) where: Base-Base interactions energy: -15.746 where: short stacking energy: -15.746 Base-Backbone interact. energy: -0.003 local terms energy: -20.253635 where: bonds (distance) C4'-P energy: -3.118 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -3.879 flat angles P-C4'-P energy: -2.851 tors. eta vs tors. theta energy: -4.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 395 Temperature: 0.950000 Total energy: -38.868025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.868025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.868025 (E_RNA) where: Base-Base interactions energy: -16.005 where: short stacking energy: -16.005 Base-Backbone interact. energy: -0.000 local terms energy: -22.863204 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -4.073 flat angles P-C4'-P energy: -4.324 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: 8 ===================================== Write number: 395 Temperature: 1.000000 Total energy: -29.456877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.456877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.456877 (E_RNA) where: Base-Base interactions energy: -8.588 where: short stacking energy: -8.588 Base-Backbone interact. energy: -0.000 local terms energy: -20.868341 where: bonds (distance) C4'-P energy: -5.498 bonds (distance) P-C4' energy: -4.152 flat angles C4'-P-C4' energy: -3.972 flat angles P-C4'-P energy: -3.179 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: 4, replica: 1 ===================================== Write number: 395 Temperature: 1.050000 Total energy: -28.474944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.474944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.474944 (E_RNA) where: Base-Base interactions energy: -8.120 where: short stacking energy: -8.120 Base-Backbone interact. energy: -0.108 local terms energy: -20.246780 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -5.516 flat angles C4'-P-C4' energy: -4.232 flat angles P-C4'-P energy: -2.621 tors. eta vs tors. theta energy: -3.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 395 Temperature: 1.100000 Total energy: -32.175440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.175440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.175440 (E_RNA) where: Base-Base interactions energy: -10.876 where: short stacking energy: -10.876 Base-Backbone interact. energy: -0.002 local terms energy: -21.297325 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -3.369 flat angles P-C4'-P energy: -2.773 tors. eta vs tors. theta energy: -4.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 395 Temperature: 1.150000 Total energy: -25.284336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.284336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.284336 (E_RNA) where: Base-Base interactions energy: -5.604 where: short stacking energy: -5.604 Base-Backbone interact. energy: -0.000 local terms energy: -19.679640 where: bonds (distance) C4'-P energy: -4.645 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -3.530 flat angles P-C4'-P energy: -3.471 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: 10 ===================================== Write number: 395 Temperature: 1.200000 Total energy: -26.973486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.973486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.973486 (E_RNA) where: Base-Base interactions energy: -8.273 where: short stacking energy: -8.273 Base-Backbone interact. energy: -0.020 local terms energy: -18.680013 where: bonds (distance) C4'-P energy: -3.809 bonds (distance) P-C4' energy: -4.706 flat angles C4'-P-C4' energy: -5.065 flat angles P-C4'-P energy: -3.280 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: 8, replica: 7 ===================================== Write number: 395 Temperature: 1.250000 Total energy: -27.275912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.275912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.275912 (E_RNA) where: Base-Base interactions energy: -9.223 where: short stacking energy: -9.223 Base-Backbone interact. energy: -0.001 local terms energy: -18.051691 where: bonds (distance) C4'-P energy: -3.760 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -2.716 flat angles P-C4'-P energy: -4.038 tors. eta vs tors. theta energy: -2.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 395 Temperature: 1.300000 Total energy: -27.350356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.350356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.350356 (E_RNA) where: Base-Base interactions energy: -10.088 where: short stacking energy: -10.088 Base-Backbone interact. energy: -0.001 local terms energy: -17.261648 where: bonds (distance) C4'-P energy: -4.132 bonds (distance) P-C4' energy: -4.780 flat angles C4'-P-C4' energy: -4.833 flat angles P-C4'-P energy: -0.818 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: 10, replica: 3 ===================================== Write number: 395 Temperature: 1.350000 Total energy: -25.940700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.940700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.940700 (E_RNA) where: Base-Base interactions energy: -7.893 where: short stacking energy: -7.893 Base-Backbone interact. energy: -0.057 local terms energy: -17.990416 where: bonds (distance) C4'-P energy: -4.840 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.376 flat angles P-C4'-P energy: -1.965 tors. eta vs tors. theta energy: -0.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 396 Temperature: 0.900000 Total energy: -35.748141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.748141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.748141 (E_RNA) where: Base-Base interactions energy: -14.687 where: short stacking energy: -14.687 Base-Backbone interact. energy: -0.002 local terms energy: -21.059613 where: bonds (distance) C4'-P energy: -4.865 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.462 flat angles P-C4'-P energy: -2.293 tors. eta vs tors. theta energy: -3.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 396 Temperature: 0.950000 Total energy: -30.210038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.210038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.210038 (E_RNA) where: Base-Base interactions energy: -9.238 where: short stacking energy: -9.238 Base-Backbone interact. energy: -0.000 local terms energy: -20.971224 where: bonds (distance) C4'-P energy: -4.547 bonds (distance) P-C4' energy: -5.516 flat angles C4'-P-C4' energy: -4.356 flat angles P-C4'-P energy: -4.779 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: 3, replica: 1 ===================================== Write number: 396 Temperature: 1.000000 Total energy: -31.112213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.112213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.112213 (E_RNA) where: Base-Base interactions energy: -11.722 where: short stacking energy: -11.722 Base-Backbone interact. energy: -0.100 local terms energy: -19.289984 where: bonds (distance) C4'-P energy: -4.183 bonds (distance) P-C4' energy: -4.529 flat angles C4'-P-C4' energy: -4.678 flat angles P-C4'-P energy: -3.989 tors. eta vs tors. theta energy: -1.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 396 Temperature: 1.050000 Total energy: -31.947189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.947189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.947189 (E_RNA) where: Base-Base interactions energy: -9.949 where: short stacking energy: -9.949 Base-Backbone interact. energy: -0.001 local terms energy: -21.997613 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -5.516 flat angles C4'-P-C4' energy: -4.748 flat angles P-C4'-P energy: -4.522 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: 5, replica: 2 ===================================== Write number: 396 Temperature: 1.100000 Total energy: -30.677794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.677794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.677794 (E_RNA) where: Base-Base interactions energy: -9.308 where: short stacking energy: -9.308 Base-Backbone interact. energy: -0.001 local terms energy: -21.368538 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -4.942 flat angles C4'-P-C4' energy: -4.807 flat angles P-C4'-P energy: -4.330 tors. eta vs tors. theta energy: -2.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 396 Temperature: 1.150000 Total energy: -31.531112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.531112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.531112 (E_RNA) where: Base-Base interactions energy: -11.969 where: short stacking energy: -11.969 Base-Backbone interact. energy: -0.099 local terms energy: -19.464011 where: bonds (distance) C4'-P energy: -4.493 bonds (distance) P-C4' energy: -4.706 flat angles C4'-P-C4' energy: -5.116 flat angles P-C4'-P energy: -2.764 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: 7 ===================================== Write number: 396 Temperature: 1.200000 Total energy: -29.526372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.526372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.526372 (E_RNA) where: Base-Base interactions energy: -12.192 where: short stacking energy: -12.192 Base-Backbone interact. energy: 0.600 local terms energy: -17.933730 where: bonds (distance) C4'-P energy: -2.737 bonds (distance) P-C4' energy: -5.261 flat angles C4'-P-C4' energy: -4.975 flat angles P-C4'-P energy: -3.476 tors. eta vs tors. theta energy: -1.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 396 Temperature: 1.250000 Total energy: -25.388028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.388028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.388028 (E_RNA) where: Base-Base interactions energy: -4.583 where: short stacking energy: -4.583 Base-Backbone interact. energy: -0.093 local terms energy: -20.712302 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -4.258 flat angles C4'-P-C4' energy: -4.992 flat angles P-C4'-P energy: -3.378 tors. eta vs tors. theta energy: -2.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 396 Temperature: 1.300000 Total energy: -31.938830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.938830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.938830 (E_RNA) where: Base-Base interactions energy: -8.588 where: short stacking energy: -8.588 Base-Backbone interact. energy: -0.000 local terms energy: -23.351091 where: bonds (distance) C4'-P energy: -5.391 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -4.088 flat angles P-C4'-P energy: -4.724 tors. eta vs tors. theta energy: -3.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 396 Temperature: 1.350000 Total energy: -31.831942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.831942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.831942 (E_RNA) where: Base-Base interactions energy: -13.118 where: short stacking energy: -13.118 Base-Backbone interact. energy: -0.000 local terms energy: -18.713256 where: bonds (distance) C4'-P energy: -2.435 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -5.505 flat angles P-C4'-P energy: -1.931 tors. eta vs tors. theta energy: -2.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 397 Temperature: 0.900000 Total energy: -33.538953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.538953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.538953 (E_RNA) where: Base-Base interactions energy: -11.578 where: short stacking energy: -11.578 Base-Backbone interact. energy: -0.000 local terms energy: -21.960841 where: bonds (distance) C4'-P energy: -4.165 bonds (distance) P-C4' energy: -5.516 flat angles C4'-P-C4' energy: -4.945 flat angles P-C4'-P energy: -3.516 tors. eta vs tors. theta energy: -3.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 397 Temperature: 0.950000 Total energy: -35.342166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.342166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.342166 (E_RNA) where: Base-Base interactions energy: -12.072 where: short stacking energy: -12.072 Base-Backbone interact. energy: -0.008 local terms energy: -23.262070 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -4.867 flat angles P-C4'-P energy: -4.975 tors. eta vs tors. theta energy: -2.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 397 Temperature: 1.000000 Total energy: -32.367980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.367980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.367980 (E_RNA) where: Base-Base interactions energy: -13.672 where: short stacking energy: -13.672 Base-Backbone interact. energy: -0.042 local terms energy: -18.654766 where: bonds (distance) C4'-P energy: -3.142 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -4.499 flat angles P-C4'-P energy: -4.975 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: 4, replica: 2 ===================================== Write number: 397 Temperature: 1.050000 Total energy: -33.257321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.257321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.257321 (E_RNA) where: Base-Base interactions energy: -13.315 where: short stacking energy: -13.315 Base-Backbone interact. energy: -0.000 local terms energy: -19.941851 where: bonds (distance) C4'-P energy: -3.979 bonds (distance) P-C4' energy: -4.410 flat angles C4'-P-C4' energy: -2.023 flat angles P-C4'-P energy: -4.585 tors. eta vs tors. theta energy: -4.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 397 Temperature: 1.100000 Total energy: -28.321267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.321267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.321267 (E_RNA) where: Base-Base interactions energy: -9.485 where: short stacking energy: -9.485 Base-Backbone interact. energy: -0.003 local terms energy: -18.833110 where: bonds (distance) C4'-P energy: -5.188 bonds (distance) P-C4' energy: -4.255 flat angles C4'-P-C4' energy: -5.402 flat angles P-C4'-P energy: -3.359 tors. eta vs tors. theta energy: -0.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 397 Temperature: 1.150000 Total energy: -31.773756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.773756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.773756 (E_RNA) where: Base-Base interactions energy: -12.152 where: short stacking energy: -12.152 Base-Backbone interact. energy: -0.179 local terms energy: -19.442649 where: bonds (distance) C4'-P energy: -5.159 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -3.835 flat angles P-C4'-P energy: -3.173 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: 7, replica: 5 ===================================== Write number: 397 Temperature: 1.200000 Total energy: -29.546217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.546217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.546217 (E_RNA) where: Base-Base interactions energy: -11.109 where: short stacking energy: -11.109 Base-Backbone interact. energy: -0.000 local terms energy: -18.437561 where: bonds (distance) C4'-P energy: -3.358 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.918 flat angles P-C4'-P energy: -1.277 tors. eta vs tors. theta energy: -3.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 397 Temperature: 1.250000 Total energy: -28.258392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.258392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.258392 (E_RNA) where: Base-Base interactions energy: -10.055 where: short stacking energy: -10.055 Base-Backbone interact. energy: -0.127 local terms energy: -18.075706 where: bonds (distance) C4'-P energy: -4.919 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -4.666 flat angles P-C4'-P energy: -1.701 tors. eta vs tors. theta energy: -1.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 397 Temperature: 1.300000 Total energy: -26.350511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.350511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.350511 (E_RNA) where: Base-Base interactions energy: -6.736 where: short stacking energy: -5.248 Base-Backbone interact. energy: -0.015 local terms energy: -19.599834 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -4.022 flat angles C4'-P-C4' energy: -3.880 flat angles P-C4'-P energy: -4.031 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: 10, replica: 4 ===================================== Write number: 397 Temperature: 1.350000 Total energy: -24.232378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.232378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.232378 (E_RNA) where: Base-Base interactions energy: -4.557 where: short stacking energy: -4.557 Base-Backbone interact. energy: -0.033 local terms energy: -19.642836 where: bonds (distance) C4'-P energy: -3.019 bonds (distance) P-C4' energy: -4.618 flat angles C4'-P-C4' energy: -5.237 flat angles P-C4'-P energy: -3.972 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: 1, replica: 1 ===================================== Write number: 398 Temperature: 0.900000 Total energy: -41.783441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.783441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.783441 (E_RNA) where: Base-Base interactions energy: -17.369 where: short stacking energy: -17.369 Base-Backbone interact. energy: -0.000 local terms energy: -24.414593 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -4.022 flat angles C4'-P-C4' energy: -5.732 flat angles P-C4'-P energy: -4.061 tors. eta vs tors. theta energy: -5.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 398 Temperature: 0.950000 Total energy: -31.662113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.662113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.662113 (E_RNA) where: Base-Base interactions energy: -11.703 where: short stacking energy: -11.703 Base-Backbone interact. energy: -0.000 local terms energy: -19.958900 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.783 flat angles C4'-P-C4' energy: -4.067 flat angles P-C4'-P energy: -1.603 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: 3, replica: 2 ===================================== Write number: 398 Temperature: 1.000000 Total energy: -33.974336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.974336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.974336 (E_RNA) where: Base-Base interactions energy: -11.812 where: short stacking energy: -11.812 Base-Backbone interact. energy: -0.000 local terms energy: -22.162148 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.759 flat angles C4'-P-C4' energy: -5.256 flat angles P-C4'-P energy: -3.275 tors. eta vs tors. theta energy: -2.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 398 Temperature: 1.050000 Total energy: -32.129869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.129869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.129869 (E_RNA) where: Base-Base interactions energy: -11.956 where: short stacking energy: -11.956 Base-Backbone interact. energy: -0.002 local terms energy: -20.172281 where: bonds (distance) C4'-P energy: -4.413 bonds (distance) P-C4' energy: -3.402 flat angles C4'-P-C4' energy: -4.579 flat angles P-C4'-P energy: -4.542 tors. eta vs tors. theta energy: -3.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 398 Temperature: 1.100000 Total energy: -25.858309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.858309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.858309 (E_RNA) where: Base-Base interactions energy: -7.370 where: short stacking energy: -7.370 Base-Backbone interact. energy: 0.971 local terms energy: -19.459646 where: bonds (distance) C4'-P energy: -4.270 bonds (distance) P-C4' energy: -4.681 flat angles C4'-P-C4' energy: -4.800 flat angles P-C4'-P energy: -4.354 tors. eta vs tors. theta energy: -1.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 398 Temperature: 1.150000 Total energy: -29.398228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.398228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.398228 (E_RNA) where: Base-Base interactions energy: -8.532 where: short stacking energy: -8.532 Base-Backbone interact. energy: -0.188 local terms energy: -20.677785 where: bonds (distance) C4'-P energy: -4.617 bonds (distance) P-C4' energy: -5.787 flat angles C4'-P-C4' energy: -4.392 flat angles P-C4'-P energy: -4.110 tors. eta vs tors. theta energy: -1.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 398 Temperature: 1.200000 Total energy: -32.895928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.895928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.895928 (E_RNA) where: Base-Base interactions energy: -12.067 where: short stacking energy: -12.067 Base-Backbone interact. energy: -0.000 local terms energy: -20.828733 where: bonds (distance) C4'-P energy: -3.180 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.312 flat angles P-C4'-P energy: -2.288 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: 8, replica: 5 ===================================== Write number: 398 Temperature: 1.250000 Total energy: -26.393104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.393104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.393104 (E_RNA) where: Base-Base interactions energy: -8.577 where: short stacking energy: -8.577 Base-Backbone interact. energy: -0.000 local terms energy: -17.815732 where: bonds (distance) C4'-P energy: -2.646 bonds (distance) P-C4' energy: -4.973 flat angles C4'-P-C4' energy: -5.432 flat angles P-C4'-P energy: -1.580 tors. eta vs tors. theta energy: -3.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 398 Temperature: 1.300000 Total energy: -25.429029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.429029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.429029 (E_RNA) where: Base-Base interactions energy: -5.518 where: short stacking energy: -5.518 Base-Backbone interact. energy: -0.000 local terms energy: -19.911048 where: bonds (distance) C4'-P energy: -3.809 bonds (distance) P-C4' energy: -5.298 flat angles C4'-P-C4' energy: -5.010 flat angles P-C4'-P energy: -4.838 tors. eta vs tors. theta energy: -0.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 398 Temperature: 1.350000 Total energy: -27.018112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.018112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.018112 (E_RNA) where: Base-Base interactions energy: -12.087 where: short stacking energy: -12.087 Base-Backbone interact. energy: -0.000 local terms energy: -14.931077 where: bonds (distance) C4'-P energy: -3.288 bonds (distance) P-C4' energy: -4.935 flat angles C4'-P-C4' energy: -3.633 flat angles P-C4'-P energy: -2.190 tors. eta vs tors. theta energy: -0.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 399 Temperature: 0.900000 Total energy: -37.241279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.241279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.241279 (E_RNA) where: Base-Base interactions energy: -16.179 where: short stacking energy: -16.179 Base-Backbone interact. energy: -0.000 local terms energy: -21.061697 where: bonds (distance) C4'-P energy: -4.235 bonds (distance) P-C4' energy: -5.265 flat angles C4'-P-C4' energy: -5.751 flat angles P-C4'-P energy: -1.891 tors. eta vs tors. theta energy: -3.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 399 Temperature: 0.950000 Total energy: -32.981716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.981716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.981716 (E_RNA) where: Base-Base interactions energy: -14.035 where: short stacking energy: -14.035 Base-Backbone interact. energy: -0.005 local terms energy: -18.941696 where: bonds (distance) C4'-P energy: -4.911 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -3.512 flat angles P-C4'-P energy: -2.456 tors. eta vs tors. theta energy: -2.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 399 Temperature: 1.000000 Total energy: -33.350632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.350632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.350632 (E_RNA) where: Base-Base interactions energy: -12.618 where: short stacking energy: -12.618 Base-Backbone interact. energy: -0.036 local terms energy: -20.696571 where: bonds (distance) C4'-P energy: -2.691 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.852 flat angles P-C4'-P energy: -4.208 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: 4, replica: 7 ===================================== Write number: 399 Temperature: 1.050000 Total energy: -33.085352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.085352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.085352 (E_RNA) where: Base-Base interactions energy: -11.253 where: short stacking energy: -11.253 Base-Backbone interact. energy: -0.000 local terms energy: -21.832510 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -4.363 flat angles P-C4'-P energy: -3.160 tors. eta vs tors. theta energy: -3.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 399 Temperature: 1.100000 Total energy: -32.214055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.214055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.214055 (E_RNA) where: Base-Base interactions energy: -10.855 where: short stacking energy: -10.855 Base-Backbone interact. energy: -0.014 local terms energy: -21.345185 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -5.463 flat angles C4'-P-C4' energy: -5.763 flat angles P-C4'-P energy: -2.997 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: 6, replica: 3 ===================================== Write number: 399 Temperature: 1.150000 Total energy: -30.918747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.918747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.918747 (E_RNA) where: Base-Base interactions energy: -9.634 where: short stacking energy: -9.634 Base-Backbone interact. energy: -0.044 local terms energy: -21.241071 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.491 flat angles C4'-P-C4' energy: -4.799 flat angles P-C4'-P energy: -2.153 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: 7, replica: 8 ===================================== Write number: 399 Temperature: 1.200000 Total energy: -27.576874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.576874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.576874 (E_RNA) where: Base-Base interactions energy: -11.442 where: short stacking energy: -11.442 Base-Backbone interact. energy: -0.004 local terms energy: -16.130556 where: bonds (distance) C4'-P energy: -4.120 bonds (distance) P-C4' energy: -3.997 flat angles C4'-P-C4' energy: -5.289 flat angles P-C4'-P energy: -2.294 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: 8, replica: 4 ===================================== Write number: 399 Temperature: 1.250000 Total energy: -24.936001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.936001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.936001 (E_RNA) where: Base-Base interactions energy: -7.487 where: short stacking energy: -7.611 Base-Backbone interact. energy: -0.000 local terms energy: -17.448391 where: bonds (distance) C4'-P energy: -5.010 bonds (distance) P-C4' energy: -4.532 flat angles C4'-P-C4' energy: -3.683 flat angles P-C4'-P energy: -2.990 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: 9, replica: 5 ===================================== Write number: 399 Temperature: 1.300000 Total energy: -29.483841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.483841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.483841 (E_RNA) where: Base-Base interactions energy: -9.300 where: short stacking energy: -9.300 Base-Backbone interact. energy: -0.009 local terms energy: -20.174443 where: bonds (distance) C4'-P energy: -4.405 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -1.699 flat angles P-C4'-P energy: -4.042 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: 10, replica: 10 ===================================== Write number: 399 Temperature: 1.350000 Total energy: -23.636622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.636622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.636622 (E_RNA) where: Base-Base interactions energy: -2.881 where: short stacking energy: -2.881 Base-Backbone interact. energy: -0.002 local terms energy: -20.752781 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.762 flat angles C4'-P-C4' energy: -4.304 flat angles P-C4'-P energy: -3.267 tors. eta vs tors. theta energy: -2.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 400 Temperature: 0.900000 Total energy: -35.077070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.077070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.077070 (E_RNA) where: Base-Base interactions energy: -14.917 where: short stacking energy: -14.942 Base-Backbone interact. energy: -0.000 local terms energy: -20.159840 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -4.034 flat angles P-C4'-P energy: -1.951 tors. eta vs tors. theta energy: -3.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 400 Temperature: 0.950000 Total energy: -36.985070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.985070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.985070 (E_RNA) where: Base-Base interactions energy: -12.435 where: short stacking energy: -12.435 Base-Backbone interact. energy: -0.000 local terms energy: -24.550208 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.271 flat angles P-C4'-P energy: -4.399 tors. eta vs tors. theta energy: -3.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 400 Temperature: 1.000000 Total energy: -33.465381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.465381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.465381 (E_RNA) where: Base-Base interactions energy: -12.849 where: short stacking energy: -12.849 Base-Backbone interact. energy: -0.595 local terms energy: -20.021578 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -5.210 flat angles P-C4'-P energy: -2.940 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: 4, replica: 6 ===================================== Write number: 400 Temperature: 1.050000 Total energy: -32.781415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.781415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.781415 (E_RNA) where: Base-Base interactions energy: -10.446 where: short stacking energy: -10.446 Base-Backbone interact. energy: -0.377 local terms energy: -21.958456 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -3.988 flat angles P-C4'-P energy: -3.908 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: 400 Temperature: 1.100000 Total energy: -32.030575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.030575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.030575 (E_RNA) where: Base-Base interactions energy: -13.740 where: short stacking energy: -13.740 Base-Backbone interact. energy: -0.000 local terms energy: -18.290505 where: bonds (distance) C4'-P energy: -5.275 bonds (distance) P-C4' energy: -4.446 flat angles C4'-P-C4' energy: 0.123 flat angles P-C4'-P energy: -4.739 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: 6, replica: 9 ===================================== Write number: 400 Temperature: 1.150000 Total energy: -28.850005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.850005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.850005 (E_RNA) where: Base-Base interactions energy: -11.828 where: short stacking energy: -11.828 Base-Backbone interact. energy: -0.016 local terms energy: -17.005768 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -3.473 flat angles C4'-P-C4' energy: -4.713 flat angles P-C4'-P energy: -3.655 tors. eta vs tors. theta energy: -0.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 400 Temperature: 1.200000 Total energy: -28.910335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.910335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.910335 (E_RNA) where: Base-Base interactions energy: -8.730 where: short stacking energy: -8.730 Base-Backbone interact. energy: -0.004 local terms energy: -20.176010 where: bonds (distance) C4'-P energy: -4.529 bonds (distance) P-C4' energy: -5.759 flat angles C4'-P-C4' energy: -5.186 flat angles P-C4'-P energy: -1.651 tors. eta vs tors. theta energy: -3.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 400 Temperature: 1.250000 Total energy: -25.777469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.777469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.777469 (E_RNA) where: Base-Base interactions energy: -4.882 where: short stacking energy: -4.882 Base-Backbone interact. energy: -0.004 local terms energy: -20.891864 where: bonds (distance) C4'-P energy: -4.057 bonds (distance) P-C4' energy: -5.065 flat angles C4'-P-C4' energy: -4.851 flat angles P-C4'-P energy: -4.599 tors. eta vs tors. theta energy: -2.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 400 Temperature: 1.300000 Total energy: -28.526116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.526116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.526116 (E_RNA) where: Base-Base interactions energy: -7.675 where: short stacking energy: -7.675 Base-Backbone interact. energy: 0.081 local terms energy: -20.932275 where: bonds (distance) C4'-P energy: -4.840 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -5.278 flat angles P-C4'-P energy: -2.869 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: 10, replica: 10 ===================================== Write number: 400 Temperature: 1.350000 Total energy: -21.575709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.575709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.575709 (E_RNA) where: Base-Base interactions energy: -4.191 where: short stacking energy: -4.191 Base-Backbone interact. energy: -0.021 local terms energy: -17.364105 where: bonds (distance) C4'-P energy: -3.072 bonds (distance) P-C4' energy: -5.470 flat angles C4'-P-C4' energy: -5.431 flat angles P-C4'-P energy: -3.764 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: 2 ===================================== Write number: 401 Temperature: 0.900000 Total energy: -35.323998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.323998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.323998 (E_RNA) where: Base-Base interactions energy: -11.348 where: short stacking energy: -11.348 Base-Backbone interact. energy: -0.003 local terms energy: -23.972902 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -5.026 flat angles P-C4'-P energy: -4.151 tors. eta vs tors. theta energy: -4.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 401 Temperature: 0.950000 Total energy: -35.885693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.885693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.885693 (E_RNA) where: Base-Base interactions energy: -15.185 where: short stacking energy: -15.185 Base-Backbone interact. energy: -0.025 local terms energy: -20.675509 where: bonds (distance) C4'-P energy: -3.152 bonds (distance) P-C4' energy: -5.072 flat angles C4'-P-C4' energy: -4.370 flat angles P-C4'-P energy: -3.816 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: 3, replica: 1 ===================================== Write number: 401 Temperature: 1.000000 Total energy: -31.628724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.628724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.628724 (E_RNA) where: Base-Base interactions energy: -11.027 where: short stacking energy: -11.027 Base-Backbone interact. energy: -0.000 local terms energy: -20.601292 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -5.172 flat angles P-C4'-P energy: -2.839 tors. eta vs tors. theta energy: -2.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 401 Temperature: 1.050000 Total energy: -31.983640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.983640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.983640 (E_RNA) where: Base-Base interactions energy: -12.529 where: short stacking energy: -12.529 Base-Backbone interact. energy: -0.084 local terms energy: -19.370215 where: bonds (distance) C4'-P energy: -3.979 bonds (distance) P-C4' energy: -4.872 flat angles C4'-P-C4' energy: -4.305 flat angles P-C4'-P energy: -4.580 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: 6 ===================================== Write number: 401 Temperature: 1.100000 Total energy: -29.905404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.905404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.905404 (E_RNA) where: Base-Base interactions energy: -8.370 where: short stacking energy: -8.370 Base-Backbone interact. energy: -0.000 local terms energy: -21.535090 where: bonds (distance) C4'-P energy: -4.397 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -5.379 flat angles P-C4'-P energy: -2.792 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: 6, replica: 4 ===================================== Write number: 401 Temperature: 1.150000 Total energy: -30.025510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.025510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.025510 (E_RNA) where: Base-Base interactions energy: -10.395 where: short stacking energy: -10.395 Base-Backbone interact. energy: -0.005 local terms energy: -19.625228 where: bonds (distance) C4'-P energy: -4.219 bonds (distance) P-C4' energy: -4.776 flat angles C4'-P-C4' energy: -2.669 flat angles P-C4'-P energy: -4.648 tors. eta vs tors. theta energy: -3.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 401 Temperature: 1.200000 Total energy: -25.547038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.547038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.547038 (E_RNA) where: Base-Base interactions energy: -7.971 where: short stacking energy: -7.971 Base-Backbone interact. energy: -0.186 local terms energy: -17.389353 where: bonds (distance) C4'-P energy: -3.064 bonds (distance) P-C4' energy: -5.540 flat angles C4'-P-C4' energy: -4.322 flat angles P-C4'-P energy: -2.470 tors. eta vs tors. theta energy: -1.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 401 Temperature: 1.250000 Total energy: -23.583972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.583972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.583972 (E_RNA) where: Base-Base interactions energy: -5.992 where: short stacking energy: -5.992 Base-Backbone interact. energy: -0.000 local terms energy: -17.592229 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -4.832 flat angles C4'-P-C4' energy: -2.230 flat angles P-C4'-P energy: -3.303 tors. eta vs tors. theta energy: -2.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 401 Temperature: 1.300000 Total energy: -25.916080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.916080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.916080 (E_RNA) where: Base-Base interactions energy: -7.325 where: short stacking energy: -7.325 Base-Backbone interact. energy: -0.000 local terms energy: -18.591511 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -4.939 flat angles C4'-P-C4' energy: -3.690 flat angles P-C4'-P energy: -4.853 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: 10, replica: 10 ===================================== Write number: 401 Temperature: 1.350000 Total energy: -28.093294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.093294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.093294 (E_RNA) where: Base-Base interactions energy: -7.841 where: short stacking energy: -7.841 Base-Backbone interact. energy: -0.000 local terms energy: -20.252244 where: bonds (distance) C4'-P energy: -2.704 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -5.275 flat angles P-C4'-P energy: -2.822 tors. eta vs tors. theta energy: -3.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 402 Temperature: 0.900000 Total energy: -32.849372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.849372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.849372 (E_RNA) where: Base-Base interactions energy: -10.684 where: short stacking energy: -10.684 Base-Backbone interact. energy: -0.020 local terms energy: -22.145221 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -4.188 flat angles C4'-P-C4' energy: -5.491 flat angles P-C4'-P energy: -3.569 tors. eta vs tors. theta energy: -3.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 402 Temperature: 0.950000 Total energy: -34.188430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.188430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.188430 (E_RNA) where: Base-Base interactions energy: -15.319 where: short stacking energy: -15.319 Base-Backbone interact. energy: -0.000 local terms energy: -18.869809 where: bonds (distance) C4'-P energy: -4.869 bonds (distance) P-C4' energy: -4.879 flat angles C4'-P-C4' energy: -4.940 flat angles P-C4'-P energy: -0.470 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: 3, replica: 3 ===================================== Write number: 402 Temperature: 1.000000 Total energy: -33.654547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.654547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.654547 (E_RNA) where: Base-Base interactions energy: -14.792 where: short stacking energy: -14.792 Base-Backbone interact. energy: -0.000 local terms energy: -18.862247 where: bonds (distance) C4'-P energy: -3.118 bonds (distance) P-C4' energy: -4.646 flat angles C4'-P-C4' energy: -3.577 flat angles P-C4'-P energy: -4.040 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: 4, replica: 1 ===================================== Write number: 402 Temperature: 1.050000 Total energy: -32.465690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.465690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.465690 (E_RNA) where: Base-Base interactions energy: -10.740 where: short stacking energy: -10.740 Base-Backbone interact. energy: -0.000 local terms energy: -21.725249 where: bonds (distance) C4'-P energy: -4.157 bonds (distance) P-C4' energy: -5.001 flat angles C4'-P-C4' energy: -4.999 flat angles P-C4'-P energy: -4.920 tors. eta vs tors. theta energy: -2.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 402 Temperature: 1.100000 Total energy: -33.037685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.037685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.037685 (E_RNA) where: Base-Base interactions energy: -14.317 where: short stacking energy: -14.317 Base-Backbone interact. energy: -0.000 local terms energy: -18.720580 where: bonds (distance) C4'-P energy: -2.957 bonds (distance) P-C4' energy: -4.646 flat angles C4'-P-C4' energy: -4.305 flat angles P-C4'-P energy: -3.329 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: 6 ===================================== Write number: 402 Temperature: 1.150000 Total energy: -25.839552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.839552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.839552 (E_RNA) where: Base-Base interactions energy: -8.198 where: short stacking energy: -8.198 Base-Backbone interact. energy: -0.120 local terms energy: -17.521721 where: bonds (distance) C4'-P energy: -4.778 bonds (distance) P-C4' energy: -5.072 flat angles C4'-P-C4' energy: -4.165 flat angles P-C4'-P energy: -4.267 tors. eta vs tors. theta energy: 0.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 402 Temperature: 1.200000 Total energy: -27.806946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.806946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.806946 (E_RNA) where: Base-Base interactions energy: -11.780 where: short stacking energy: -11.780 Base-Backbone interact. energy: -0.003 local terms energy: -16.024172 where: bonds (distance) C4'-P energy: -5.598 bonds (distance) P-C4' energy: -4.227 flat angles C4'-P-C4' energy: -1.905 flat angles P-C4'-P energy: -1.347 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: 8, replica: 9 ===================================== Write number: 402 Temperature: 1.250000 Total energy: -26.262382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.262382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.262382 (E_RNA) where: Base-Base interactions energy: -8.590 where: short stacking energy: -8.590 Base-Backbone interact. energy: -0.312 local terms energy: -17.360910 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -4.607 flat angles P-C4'-P energy: -1.472 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: 9, replica: 10 ===================================== Write number: 402 Temperature: 1.300000 Total energy: -32.303382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.303382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.303382 (E_RNA) where: Base-Base interactions energy: -13.224 where: short stacking energy: -13.224 Base-Backbone interact. energy: -0.000 local terms energy: -19.079811 where: bonds (distance) C4'-P energy: -4.057 bonds (distance) P-C4' energy: -4.255 flat angles C4'-P-C4' energy: -2.141 flat angles P-C4'-P energy: -3.098 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: 10, replica: 8 ===================================== Write number: 402 Temperature: 1.350000 Total energy: -26.751640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.751640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.751640 (E_RNA) where: Base-Base interactions energy: -9.039 where: short stacking energy: -9.039 Base-Backbone interact. energy: -0.062 local terms energy: -17.650181 where: bonds (distance) C4'-P energy: -4.169 bonds (distance) P-C4' energy: -4.642 flat angles C4'-P-C4' energy: -5.466 flat angles P-C4'-P energy: -1.972 tors. eta vs tors. theta energy: -1.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 403 Temperature: 0.900000 Total energy: -33.251679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.251679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.251679 (E_RNA) where: Base-Base interactions energy: -10.529 where: short stacking energy: -10.529 Base-Backbone interact. energy: -0.010 local terms energy: -22.712214 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -5.271 flat angles P-C4'-P energy: -4.619 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: 2, replica: 3 ===================================== Write number: 403 Temperature: 0.950000 Total energy: -35.202337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.202337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.202337 (E_RNA) where: Base-Base interactions energy: -11.171 where: short stacking energy: -11.171 Base-Backbone interact. energy: -0.000 local terms energy: -24.030940 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -5.613 flat angles P-C4'-P energy: -2.900 tors. eta vs tors. theta energy: -5.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 403 Temperature: 1.000000 Total energy: -34.125910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.125910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.125910 (E_RNA) where: Base-Base interactions energy: -10.418 where: short stacking energy: -10.418 Base-Backbone interact. energy: -0.000 local terms energy: -23.708257 where: bonds (distance) C4'-P energy: -5.714 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.481 flat angles P-C4'-P energy: -2.779 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: 1 ===================================== Write number: 403 Temperature: 1.050000 Total energy: -34.292110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.292110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.292110 (E_RNA) where: Base-Base interactions energy: -12.523 where: short stacking energy: -12.523 Base-Backbone interact. energy: -0.000 local terms energy: -21.769288 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.795 flat angles P-C4'-P energy: -2.569 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: 4 ===================================== Write number: 403 Temperature: 1.100000 Total energy: -32.113439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.113439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.113439 (E_RNA) where: Base-Base interactions energy: -14.101 where: short stacking energy: -14.101 Base-Backbone interact. energy: -0.000 local terms energy: -18.012462 where: bonds (distance) C4'-P energy: -4.165 bonds (distance) P-C4' energy: -4.614 flat angles C4'-P-C4' energy: -3.211 flat angles P-C4'-P energy: -2.679 tors. eta vs tors. theta energy: -3.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 403 Temperature: 1.150000 Total energy: -29.907471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.907471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.907471 (E_RNA) where: Base-Base interactions energy: -9.551 where: short stacking energy: -9.551 Base-Backbone interact. energy: -0.017 local terms energy: -20.339672 where: bonds (distance) C4'-P energy: -4.227 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.134 flat angles P-C4'-P energy: -4.067 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: 7, replica: 6 ===================================== Write number: 403 Temperature: 1.200000 Total energy: -30.960250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.960250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.960250 (E_RNA) where: Base-Base interactions energy: -10.932 where: short stacking energy: -10.932 Base-Backbone interact. energy: -0.000 local terms energy: -20.027749 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -2.195 flat angles P-C4'-P energy: -2.762 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: 8, replica: 10 ===================================== Write number: 403 Temperature: 1.250000 Total energy: -25.240308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.240308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.240308 (E_RNA) where: Base-Base interactions energy: -7.675 where: short stacking energy: -7.675 Base-Backbone interact. energy: -0.000 local terms energy: -17.564835 where: bonds (distance) C4'-P energy: -5.159 bonds (distance) P-C4' energy: -3.701 flat angles C4'-P-C4' energy: -5.849 flat angles P-C4'-P energy: -2.679 tors. eta vs tors. theta energy: -0.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 403 Temperature: 1.300000 Total energy: -23.283292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.283292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.283292 (E_RNA) where: Base-Base interactions energy: -3.688 where: short stacking energy: -3.688 Base-Backbone interact. energy: -0.007 local terms energy: -19.588091 where: bonds (distance) C4'-P energy: -5.498 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -3.990 flat angles P-C4'-P energy: -4.342 tors. eta vs tors. theta energy: -0.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 403 Temperature: 1.350000 Total energy: -25.354995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.354995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.354995 (E_RNA) where: Base-Base interactions energy: -7.353 where: short stacking energy: -7.353 Base-Backbone interact. energy: -0.081 local terms energy: -17.921650 where: bonds (distance) C4'-P energy: -2.328 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.327 flat angles P-C4'-P energy: -3.913 tors. eta vs tors. theta energy: -1.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 404 Temperature: 0.900000 Total energy: -38.504948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.504948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.504948 (E_RNA) where: Base-Base interactions energy: -14.642 where: short stacking energy: -14.642 Base-Backbone interact. energy: -0.000 local terms energy: -23.862561 where: bonds (distance) C4'-P energy: -4.485 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -5.304 flat angles P-C4'-P energy: -2.591 tors. eta vs tors. theta energy: -5.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 404 Temperature: 0.950000 Total energy: -35.662045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.662045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.662045 (E_RNA) where: Base-Base interactions energy: -10.747 where: short stacking energy: -10.768 Base-Backbone interact. energy: -0.006 local terms energy: -24.908847 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.116 flat angles P-C4'-P energy: -4.332 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: 1 ===================================== Write number: 404 Temperature: 1.000000 Total energy: -33.669523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.669523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.669523 (E_RNA) where: Base-Base interactions energy: -13.691 where: short stacking energy: -13.691 Base-Backbone interact. energy: -0.000 local terms energy: -19.978856 where: bonds (distance) C4'-P energy: -4.219 bonds (distance) P-C4' energy: -5.783 flat angles C4'-P-C4' energy: -4.359 flat angles P-C4'-P energy: -3.285 tors. eta vs tors. theta energy: -2.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 404 Temperature: 1.050000 Total energy: -27.409104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.409104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.409104 (E_RNA) where: Base-Base interactions energy: -11.290 where: short stacking energy: -11.290 Base-Backbone interact. energy: -0.000 local terms energy: -16.118726 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -3.436 flat angles C4'-P-C4' energy: -4.042 flat angles P-C4'-P energy: -2.297 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: 5, replica: 5 ===================================== Write number: 404 Temperature: 1.100000 Total energy: -28.306972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.306972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.306972 (E_RNA) where: Base-Base interactions energy: -8.937 where: short stacking energy: -8.937 Base-Backbone interact. energy: -0.002 local terms energy: -19.368055 where: bonds (distance) C4'-P energy: -2.994 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -4.795 flat angles P-C4'-P energy: -4.619 tors. eta vs tors. theta energy: -1.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 404 Temperature: 1.150000 Total energy: -24.017543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.017543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.017543 (E_RNA) where: Base-Base interactions energy: -7.335 where: short stacking energy: -7.335 Base-Backbone interact. energy: -0.079 local terms energy: -16.603290 where: bonds (distance) C4'-P energy: -4.555 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -3.144 flat angles P-C4'-P energy: -2.996 tors. eta vs tors. theta energy: -0.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 404 Temperature: 1.200000 Total energy: -28.411012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.411012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.411012 (E_RNA) where: Base-Base interactions energy: -10.504 where: short stacking energy: -10.504 Base-Backbone interact. energy: -0.000 local terms energy: -17.906838 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -4.624 flat angles C4'-P-C4' energy: -4.209 flat angles P-C4'-P energy: -0.466 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: 8, replica: 6 ===================================== Write number: 404 Temperature: 1.250000 Total energy: -25.517324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.517324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.517324 (E_RNA) where: Base-Base interactions energy: -3.945 where: short stacking energy: -3.945 Base-Backbone interact. energy: -0.000 local terms energy: -21.572266 where: bonds (distance) C4'-P energy: -4.423 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.882 flat angles P-C4'-P energy: -3.485 tors. eta vs tors. theta energy: -2.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 404 Temperature: 1.300000 Total energy: -23.030878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.030878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.030878 (E_RNA) where: Base-Base interactions energy: -6.920 where: short stacking energy: -6.920 Base-Backbone interact. energy: -0.000 local terms energy: -16.110544 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -3.288 flat angles P-C4'-P energy: -1.660 tors. eta vs tors. theta energy: -0.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 404 Temperature: 1.350000 Total energy: -26.283330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.283330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.283330 (E_RNA) where: Base-Base interactions energy: -5.608 where: short stacking energy: -5.608 Base-Backbone interact. energy: -0.000 local terms energy: -20.675399 where: bonds (distance) C4'-P energy: -4.421 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -4.711 flat angles P-C4'-P energy: -3.856 tors. eta vs tors. theta energy: -1.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 405 Temperature: 0.900000 Total energy: -40.018521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.018521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.018521 (E_RNA) where: Base-Base interactions energy: -15.952 where: short stacking energy: -15.952 Base-Backbone interact. energy: -0.000 local terms energy: -24.066508 where: bonds (distance) C4'-P energy: -3.233 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -5.820 flat angles P-C4'-P energy: -3.686 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: 2, replica: 1 ===================================== Write number: 405 Temperature: 0.950000 Total energy: -34.433046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.433046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.433046 (E_RNA) where: Base-Base interactions energy: -13.238 where: short stacking energy: -13.238 Base-Backbone interact. energy: -0.000 local terms energy: -21.195055 where: bonds (distance) C4'-P energy: -3.632 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.736 flat angles P-C4'-P energy: -3.009 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: 405 Temperature: 1.000000 Total energy: -31.859657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.859657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.859657 (E_RNA) where: Base-Base interactions energy: -13.117 where: short stacking energy: -13.117 Base-Backbone interact. energy: -0.000 local terms energy: -18.742115 where: bonds (distance) C4'-P energy: -3.424 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.473 flat angles P-C4'-P energy: -1.497 tors. eta vs tors. theta energy: -3.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 405 Temperature: 1.050000 Total energy: -33.166791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.166791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.166791 (E_RNA) where: Base-Base interactions energy: -11.155 where: short stacking energy: -11.155 Base-Backbone interact. energy: -0.013 local terms energy: -21.998977 where: bonds (distance) C4'-P energy: -3.900 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.359 flat angles P-C4'-P energy: -3.187 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: 405 Temperature: 1.100000 Total energy: -28.606596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.606596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.606596 (E_RNA) where: Base-Base interactions energy: -7.717 where: short stacking energy: -7.717 Base-Backbone interact. energy: -0.003 local terms energy: -20.886959 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -4.602 flat angles P-C4'-P energy: -1.913 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: 6, replica: 10 ===================================== Write number: 405 Temperature: 1.150000 Total energy: -25.588021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.588021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.588021 (E_RNA) where: Base-Base interactions energy: -6.321 where: short stacking energy: -6.321 Base-Backbone interact. energy: -0.000 local terms energy: -19.266930 where: bonds (distance) C4'-P energy: -3.056 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.047 flat angles P-C4'-P energy: -4.257 tors. eta vs tors. theta energy: -2.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 405 Temperature: 1.200000 Total energy: -25.885540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.885540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.885540 (E_RNA) where: Base-Base interactions energy: -6.819 where: short stacking energy: -6.819 Base-Backbone interact. energy: -0.000 local terms energy: -19.066498 where: bonds (distance) C4'-P energy: -3.826 bonds (distance) P-C4' energy: -5.522 flat angles C4'-P-C4' energy: -4.564 flat angles P-C4'-P energy: -3.218 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: 8, replica: 8 ===================================== Write number: 405 Temperature: 1.250000 Total energy: -27.743719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.743719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.743719 (E_RNA) where: Base-Base interactions energy: -9.291 where: short stacking energy: -9.291 Base-Backbone interact. energy: -0.000 local terms energy: -18.453086 where: bonds (distance) C4'-P energy: -4.981 bonds (distance) P-C4' energy: -5.460 flat angles C4'-P-C4' energy: -3.179 flat angles P-C4'-P energy: -2.910 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: 9, replica: 6 ===================================== Write number: 405 Temperature: 1.300000 Total energy: -26.282606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.282606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.282606 (E_RNA) where: Base-Base interactions energy: -7.251 where: short stacking energy: -7.251 Base-Backbone interact. energy: -0.000 local terms energy: -19.031012 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -3.575 flat angles C4'-P-C4' energy: -4.715 flat angles P-C4'-P energy: -2.724 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: 10, replica: 9 ===================================== Write number: 405 Temperature: 1.350000 Total energy: -25.391000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.391000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.391000 (E_RNA) where: Base-Base interactions energy: -7.835 where: short stacking energy: -7.835 Base-Backbone interact. energy: -0.100 local terms energy: -17.456228 where: bonds (distance) C4'-P energy: -3.987 bonds (distance) P-C4' energy: -3.945 flat angles C4'-P-C4' energy: -5.135 flat angles P-C4'-P energy: -2.067 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: 1, replica: 1 ===================================== Write number: 406 Temperature: 0.900000 Total energy: -31.644033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.644033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.644033 (E_RNA) where: Base-Base interactions energy: -14.538 where: short stacking energy: -11.932 Base-Backbone interact. energy: -0.151 local terms energy: -16.955153 where: bonds (distance) C4'-P energy: -3.080 bonds (distance) P-C4' energy: -6.020 flat angles C4'-P-C4' energy: -3.250 flat angles P-C4'-P energy: -4.006 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: 2, replica: 3 ===================================== Write number: 406 Temperature: 0.950000 Total energy: -31.639067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.639067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.639067 (E_RNA) where: Base-Base interactions energy: -13.713 where: short stacking energy: -13.713 Base-Backbone interact. energy: -0.000 local terms energy: -17.925825 where: bonds (distance) C4'-P energy: -3.482 bonds (distance) P-C4' energy: -3.991 flat angles C4'-P-C4' energy: -5.466 flat angles P-C4'-P energy: -0.493 tors. eta vs tors. theta energy: -4.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 406 Temperature: 1.000000 Total energy: -32.483510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.483510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.483510 (E_RNA) where: Base-Base interactions energy: -11.921 where: short stacking energy: -11.921 Base-Backbone interact. energy: -0.093 local terms energy: -20.469608 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -4.936 flat angles P-C4'-P energy: -4.028 tors. eta vs tors. theta energy: -0.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 406 Temperature: 1.050000 Total energy: -35.330458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.330458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.330458 (E_RNA) where: Base-Base interactions energy: -16.575 where: short stacking energy: -16.675 Base-Backbone interact. energy: -0.000 local terms energy: -18.754660 where: bonds (distance) C4'-P energy: -4.025 bonds (distance) P-C4' energy: -5.043 flat angles C4'-P-C4' energy: -4.723 flat angles P-C4'-P energy: -0.790 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: 5, replica: 10 ===================================== Write number: 406 Temperature: 1.100000 Total energy: -31.097443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.097443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.097443 (E_RNA) where: Base-Base interactions energy: -12.433 where: short stacking energy: -12.433 Base-Backbone interact. energy: -0.000 local terms energy: -18.664846 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -3.680 flat angles P-C4'-P energy: -3.239 tors. eta vs tors. theta energy: -0.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 406 Temperature: 1.150000 Total energy: -30.572905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.572905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.572905 (E_RNA) where: Base-Base interactions energy: -10.457 where: short stacking energy: -10.457 Base-Backbone interact. energy: -0.000 local terms energy: -20.115330 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -4.935 flat angles C4'-P-C4' energy: -4.779 flat angles P-C4'-P energy: -2.798 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: 7, replica: 8 ===================================== Write number: 406 Temperature: 1.200000 Total energy: -28.709245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.709245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.709245 (E_RNA) where: Base-Base interactions energy: -10.430 where: short stacking energy: -10.430 Base-Backbone interact. energy: -0.001 local terms energy: -18.278284 where: bonds (distance) C4'-P energy: -3.723 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -3.921 flat angles P-C4'-P energy: -2.499 tors. eta vs tors. theta energy: -2.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 406 Temperature: 1.250000 Total energy: -27.474250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.474250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.474250 (E_RNA) where: Base-Base interactions energy: -10.018 where: short stacking energy: -10.018 Base-Backbone interact. energy: -0.018 local terms energy: -17.438255 where: bonds (distance) C4'-P energy: -4.787 bonds (distance) P-C4' energy: -3.335 flat angles C4'-P-C4' energy: -4.416 flat angles P-C4'-P energy: -3.757 tors. eta vs tors. theta energy: -1.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 406 Temperature: 1.300000 Total energy: -21.466905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.466905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.466905 (E_RNA) where: Base-Base interactions energy: -7.276 where: short stacking energy: -7.276 Base-Backbone interact. energy: -0.003 local terms energy: -14.187567 where: bonds (distance) C4'-P energy: -4.501 bonds (distance) P-C4' energy: -4.022 flat angles C4'-P-C4' energy: -4.588 flat angles P-C4'-P energy: -3.450 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: 10, replica: 6 ===================================== Write number: 406 Temperature: 1.350000 Total energy: -23.104675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.104675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.104675 (E_RNA) where: Base-Base interactions energy: -5.978 where: short stacking energy: -5.978 Base-Backbone interact. energy: -0.101 local terms energy: -17.025154 where: bonds (distance) C4'-P energy: -4.795 bonds (distance) P-C4' energy: -4.706 flat angles C4'-P-C4' energy: -2.159 flat angles P-C4'-P energy: -3.190 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: 1, replica: 1 ===================================== Write number: 407 Temperature: 0.900000 Total energy: -34.645897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.645897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.645897 (E_RNA) where: Base-Base interactions energy: -13.898 where: short stacking energy: -13.898 Base-Backbone interact. energy: -0.040 local terms energy: -20.707338 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.713 flat angles P-C4'-P energy: -2.487 tors. eta vs tors. theta energy: -2.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 407 Temperature: 0.950000 Total energy: -34.069108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.069108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.069108 (E_RNA) where: Base-Base interactions energy: -10.772 where: short stacking energy: -10.772 Base-Backbone interact. energy: -0.000 local terms energy: -23.297115 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -5.221 flat angles P-C4'-P energy: -3.110 tors. eta vs tors. theta energy: -4.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 407 Temperature: 1.000000 Total energy: -34.583987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.583987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.583987 (E_RNA) where: Base-Base interactions energy: -12.042 where: short stacking energy: -12.042 Base-Backbone interact. energy: -0.072 local terms energy: -22.470461 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -4.835 flat angles C4'-P-C4' energy: -5.554 flat angles P-C4'-P energy: -3.027 tors. eta vs tors. theta energy: -3.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 407 Temperature: 1.050000 Total energy: -31.078873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.078873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.078873 (E_RNA) where: Base-Base interactions energy: -11.189 where: short stacking energy: -11.189 Base-Backbone interact. energy: -0.000 local terms energy: -19.889634 where: bonds (distance) C4'-P energy: -3.305 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -4.653 flat angles P-C4'-P energy: -3.739 tors. eta vs tors. theta energy: -2.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 407 Temperature: 1.100000 Total energy: -28.845280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.845280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.845280 (E_RNA) where: Base-Base interactions energy: -9.318 where: short stacking energy: -9.318 Base-Backbone interact. energy: -0.018 local terms energy: -19.508488 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -5.231 flat angles C4'-P-C4' energy: -5.800 flat angles P-C4'-P energy: -2.585 tors. eta vs tors. theta energy: -0.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 407 Temperature: 1.150000 Total energy: -27.908467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.908467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.908467 (E_RNA) where: Base-Base interactions energy: -6.647 where: short stacking energy: -6.647 Base-Backbone interact. energy: -0.072 local terms energy: -21.189593 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.218 flat angles P-C4'-P energy: -4.163 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: 7, replica: 2 ===================================== Write number: 407 Temperature: 1.200000 Total energy: -23.614234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.614234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.614234 (E_RNA) where: Base-Base interactions energy: -3.699 where: short stacking energy: -3.699 Base-Backbone interact. energy: -0.001 local terms energy: -19.913962 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -3.867 flat angles P-C4'-P energy: -3.288 tors. eta vs tors. theta energy: -1.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 407 Temperature: 1.250000 Total energy: -27.886710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.886710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.886710 (E_RNA) where: Base-Base interactions energy: -8.271 where: short stacking energy: -8.271 Base-Backbone interact. energy: -0.000 local terms energy: -19.615829 where: bonds (distance) C4'-P energy: -4.049 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -4.651 flat angles P-C4'-P energy: -3.275 tors. eta vs tors. theta energy: -2.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 407 Temperature: 1.300000 Total energy: -28.845728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.845728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.845728 (E_RNA) where: Base-Base interactions energy: -10.848 where: short stacking energy: -10.848 Base-Backbone interact. energy: -0.053 local terms energy: -17.945598 where: bonds (distance) C4'-P energy: -5.275 bonds (distance) P-C4' energy: -5.050 flat angles C4'-P-C4' energy: -3.668 flat angles P-C4'-P energy: -1.509 tors. eta vs tors. theta energy: -2.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 407 Temperature: 1.350000 Total energy: -28.801665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.801665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.801665 (E_RNA) where: Base-Base interactions energy: -9.142 where: short stacking energy: -9.142 Base-Backbone interact. energy: -0.063 local terms energy: -19.595804 where: bonds (distance) C4'-P energy: -4.716 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -2.610 flat angles P-C4'-P energy: -2.757 tors. eta vs tors. theta energy: -3.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 408 Temperature: 0.900000 Total energy: -38.824114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.824114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.824114 (E_RNA) where: Base-Base interactions energy: -13.322 where: short stacking energy: -13.322 Base-Backbone interact. energy: -1.295 local terms energy: -24.207360 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -4.976 flat angles C4'-P-C4' energy: -4.650 flat angles P-C4'-P energy: -4.553 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: 1 ===================================== Write number: 408 Temperature: 0.950000 Total energy: -35.216684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.216684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.216684 (E_RNA) where: Base-Base interactions energy: -14.321 where: short stacking energy: -14.321 Base-Backbone interact. energy: -0.000 local terms energy: -20.895541 where: bonds (distance) C4'-P energy: -4.865 bonds (distance) P-C4' energy: -5.460 flat angles C4'-P-C4' energy: -3.746 flat angles P-C4'-P energy: -3.832 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: 3 ===================================== Write number: 408 Temperature: 1.000000 Total energy: -30.682926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.682926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.682926 (E_RNA) where: Base-Base interactions energy: -12.234 where: short stacking energy: -12.234 Base-Backbone interact. energy: -0.000 local terms energy: -18.448403 where: bonds (distance) C4'-P energy: -3.490 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -3.948 flat angles P-C4'-P energy: -4.139 tors. eta vs tors. theta energy: -1.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 408 Temperature: 1.050000 Total energy: -37.208064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.208064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.208064 (E_RNA) where: Base-Base interactions energy: -12.770 where: short stacking energy: -12.770 Base-Backbone interact. energy: -0.000 local terms energy: -24.437678 where: bonds (distance) C4'-P energy: -3.545 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.113 flat angles P-C4'-P energy: -4.340 tors. eta vs tors. theta energy: -5.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 408 Temperature: 1.100000 Total energy: -28.247051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.247051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.247051 (E_RNA) where: Base-Base interactions energy: -8.599 where: short stacking energy: -8.599 Base-Backbone interact. energy: -0.066 local terms energy: -19.582315 where: bonds (distance) C4'-P energy: -4.795 bonds (distance) P-C4' energy: -4.709 flat angles C4'-P-C4' energy: -3.946 flat angles P-C4'-P energy: -3.833 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: 6, replica: 10 ===================================== Write number: 408 Temperature: 1.150000 Total energy: -31.778544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.778544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.778544 (E_RNA) where: Base-Base interactions energy: -11.384 where: short stacking energy: -11.384 Base-Backbone interact. energy: -0.000 local terms energy: -20.394126 where: bonds (distance) C4'-P energy: -3.312 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -5.011 flat angles P-C4'-P energy: -1.536 tors. eta vs tors. theta energy: -4.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 408 Temperature: 1.200000 Total energy: -29.959042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.959042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.959042 (E_RNA) where: Base-Base interactions energy: -11.218 where: short stacking energy: -11.218 Base-Backbone interact. energy: -0.018 local terms energy: -18.722716 where: bonds (distance) C4'-P energy: -4.555 bonds (distance) P-C4' energy: -4.702 flat angles C4'-P-C4' energy: -4.704 flat angles P-C4'-P energy: -4.024 tors. eta vs tors. theta energy: -0.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 408 Temperature: 1.250000 Total energy: -24.730851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.730851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.730851 (E_RNA) where: Base-Base interactions energy: -3.652 where: short stacking energy: -3.652 Base-Backbone interact. energy: -0.000 local terms energy: -21.079099 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.509 flat angles P-C4'-P energy: -2.348 tors. eta vs tors. theta energy: -2.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 408 Temperature: 1.300000 Total energy: -32.750437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.750437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.750437 (E_RNA) where: Base-Base interactions energy: -11.237 where: short stacking energy: -11.237 Base-Backbone interact. energy: -0.000 local terms energy: -21.513169 where: bonds (distance) C4'-P energy: -4.227 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -4.484 flat angles P-C4'-P energy: -3.775 tors. eta vs tors. theta energy: -3.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 408 Temperature: 1.350000 Total energy: -26.744508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.744508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.744508 (E_RNA) where: Base-Base interactions energy: -7.388 where: short stacking energy: -7.388 Base-Backbone interact. energy: -0.003 local terms energy: -19.353475 where: bonds (distance) C4'-P energy: -4.600 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.935 flat angles P-C4'-P energy: -3.393 tors. eta vs tors. theta energy: -0.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 409 Temperature: 0.900000 Total energy: -36.464566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.464566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.464566 (E_RNA) where: Base-Base interactions energy: -14.697 where: short stacking energy: -14.697 Base-Backbone interact. energy: -0.000 local terms energy: -21.767130 where: bonds (distance) C4'-P energy: -4.369 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.086 flat angles P-C4'-P energy: -2.911 tors. eta vs tors. theta energy: -4.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 409 Temperature: 0.950000 Total energy: -32.724912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.724912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.724912 (E_RNA) where: Base-Base interactions energy: -13.244 where: short stacking energy: -13.244 Base-Backbone interact. energy: -0.001 local terms energy: -19.479953 where: bonds (distance) C4'-P energy: -4.617 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -5.593 flat angles P-C4'-P energy: -3.465 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: 3, replica: 1 ===================================== Write number: 409 Temperature: 1.000000 Total energy: -33.829872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.829872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.829872 (E_RNA) where: Base-Base interactions energy: -12.059 where: short stacking energy: -12.059 Base-Backbone interact. energy: -0.101 local terms energy: -21.669384 where: bonds (distance) C4'-P energy: -4.016 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -5.800 flat angles P-C4'-P energy: -3.516 tors. eta vs tors. theta energy: -3.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 409 Temperature: 1.050000 Total energy: -30.799885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.799885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.799885 (E_RNA) where: Base-Base interactions energy: -9.908 where: short stacking energy: -9.908 Base-Backbone interact. energy: -0.000 local terms energy: -20.891563 where: bonds (distance) C4'-P energy: -2.435 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.232 flat angles P-C4'-P energy: -4.339 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: 5, replica: 7 ===================================== Write number: 409 Temperature: 1.100000 Total energy: -27.952530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.952530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.952530 (E_RNA) where: Base-Base interactions energy: -7.406 where: short stacking energy: -7.406 Base-Backbone interact. energy: -0.000 local terms energy: -20.546408 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.322 flat angles P-C4'-P energy: -3.719 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: 6, replica: 2 ===================================== Write number: 409 Temperature: 1.150000 Total energy: -30.371201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.371201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.371201 (E_RNA) where: Base-Base interactions energy: -11.179 where: short stacking energy: -11.179 Base-Backbone interact. energy: -0.033 local terms energy: -19.159271 where: bonds (distance) C4'-P energy: -4.103 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -3.702 flat angles P-C4'-P energy: -3.866 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: 10 ===================================== Write number: 409 Temperature: 1.200000 Total energy: -28.784272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.784272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.784272 (E_RNA) where: Base-Base interactions energy: -12.363 where: short stacking energy: -12.363 Base-Backbone interact. energy: -0.008 local terms energy: -16.413307 where: bonds (distance) C4'-P energy: -5.188 bonds (distance) P-C4' energy: -2.973 flat angles C4'-P-C4' energy: -5.470 flat angles P-C4'-P energy: -2.487 tors. eta vs tors. theta energy: -0.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 409 Temperature: 1.250000 Total energy: -25.613236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.613236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.613236 (E_RNA) where: Base-Base interactions energy: -6.165 where: short stacking energy: -6.165 Base-Backbone interact. energy: -0.015 local terms energy: -19.433100 where: bonds (distance) C4'-P energy: -4.016 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -2.822 flat angles P-C4'-P energy: -4.063 tors. eta vs tors. theta energy: -2.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 409 Temperature: 1.300000 Total energy: -24.407974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.407974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.407974 (E_RNA) where: Base-Base interactions energy: -5.837 where: short stacking energy: -5.837 Base-Backbone interact. energy: -0.007 local terms energy: -18.563935 where: bonds (distance) C4'-P energy: -5.188 bonds (distance) P-C4' energy: -3.132 flat angles C4'-P-C4' energy: -4.051 flat angles P-C4'-P energy: -1.872 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: 10, replica: 4 ===================================== Write number: 409 Temperature: 1.350000 Total energy: -28.110736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.110736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.110736 (E_RNA) where: Base-Base interactions energy: -6.852 where: short stacking energy: -6.852 Base-Backbone interact. energy: -0.004 local terms energy: -21.254695 where: bonds (distance) C4'-P energy: -4.227 bonds (distance) P-C4' energy: -4.684 flat angles C4'-P-C4' energy: -4.320 flat angles P-C4'-P energy: -3.753 tors. eta vs tors. theta energy: -4.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 410 Temperature: 0.900000 Total energy: -40.580339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.580339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.580339 (E_RNA) where: Base-Base interactions energy: -15.506 where: short stacking energy: -15.506 Base-Backbone interact. energy: -0.000 local terms energy: -25.073811 where: bonds (distance) C4'-P energy: -4.413 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -5.114 flat angles P-C4'-P energy: -3.913 tors. eta vs tors. theta energy: -6.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 410 Temperature: 0.950000 Total energy: -33.905217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.905217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.905217 (E_RNA) where: Base-Base interactions energy: -12.528 where: short stacking energy: -12.528 Base-Backbone interact. energy: -0.099 local terms energy: -21.277350 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -3.505 flat angles P-C4'-P energy: -4.646 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: 8 ===================================== Write number: 410 Temperature: 1.000000 Total energy: -31.451642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.451642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.451642 (E_RNA) where: Base-Base interactions energy: -11.593 where: short stacking energy: -6.541 Base-Backbone interact. energy: -0.005 local terms energy: -19.853192 where: bonds (distance) C4'-P energy: -3.251 bonds (distance) P-C4' energy: -5.333 flat angles C4'-P-C4' energy: -5.028 flat angles P-C4'-P energy: -4.254 tors. eta vs tors. theta energy: -1.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 410 Temperature: 1.050000 Total energy: -28.095919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.095919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.095919 (E_RNA) where: Base-Base interactions energy: -8.518 where: short stacking energy: -8.518 Base-Backbone interact. energy: -0.000 local terms energy: -19.577377 where: bonds (distance) C4'-P energy: -4.663 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -2.986 flat angles P-C4'-P energy: -3.876 tors. eta vs tors. theta energy: -2.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 410 Temperature: 1.100000 Total energy: -25.582692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.582692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.582692 (E_RNA) where: Base-Base interactions energy: -6.959 where: short stacking energy: -6.959 Base-Backbone interact. energy: -0.133 local terms energy: -18.491083 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -5.520 flat angles P-C4'-P energy: -3.655 tors. eta vs tors. theta energy: 0.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 410 Temperature: 1.150000 Total energy: -24.061806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.061806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.061806 (E_RNA) where: Base-Base interactions energy: -8.211 where: short stacking energy: -8.586 Base-Backbone interact. energy: -0.080 local terms energy: -15.770868 where: bonds (distance) C4'-P energy: -2.948 bonds (distance) P-C4' energy: -5.286 flat angles C4'-P-C4' energy: -4.895 flat angles P-C4'-P energy: -3.310 tors. eta vs tors. theta energy: 0.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 410 Temperature: 1.200000 Total energy: -31.190485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.190485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.190485 (E_RNA) where: Base-Base interactions energy: -14.400 where: short stacking energy: -14.400 Base-Backbone interact. energy: -0.001 local terms energy: -16.789299 where: bonds (distance) C4'-P energy: -1.988 bonds (distance) P-C4' energy: -3.479 flat angles C4'-P-C4' energy: -2.982 flat angles P-C4'-P energy: -4.093 tors. eta vs tors. theta energy: -4.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 410 Temperature: 1.250000 Total energy: -26.774851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.774851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.774851 (E_RNA) where: Base-Base interactions energy: -7.647 where: short stacking energy: -7.647 Base-Backbone interact. energy: -0.000 local terms energy: -19.127519 where: bonds (distance) C4'-P energy: -4.840 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -4.334 flat angles P-C4'-P energy: -2.184 tors. eta vs tors. theta energy: -1.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 410 Temperature: 1.300000 Total energy: -28.023720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.023720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.023720 (E_RNA) where: Base-Base interactions energy: -7.928 where: short stacking energy: -7.928 Base-Backbone interact. energy: -0.038 local terms energy: -20.058512 where: bonds (distance) C4'-P energy: -5.304 bonds (distance) P-C4' energy: -5.231 flat angles C4'-P-C4' energy: -4.783 flat angles P-C4'-P energy: -2.110 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: 10, replica: 9 ===================================== Write number: 410 Temperature: 1.350000 Total energy: -27.189123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.189123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.189123 (E_RNA) where: Base-Base interactions energy: -7.080 where: short stacking energy: -7.080 Base-Backbone interact. energy: -0.068 local terms energy: -20.040417 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -4.646 flat angles C4'-P-C4' energy: -3.783 flat angles P-C4'-P energy: -2.856 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: 1, replica: 3 ===================================== Write number: 411 Temperature: 0.900000 Total energy: -34.709495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.709495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.709495 (E_RNA) where: Base-Base interactions energy: -13.372 where: short stacking energy: -13.372 Base-Backbone interact. energy: -0.000 local terms energy: -21.337529 where: bonds (distance) C4'-P energy: -4.477 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -3.279 flat angles P-C4'-P energy: -2.836 tors. eta vs tors. theta energy: -4.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 411 Temperature: 0.950000 Total energy: -38.659428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.659428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.659428 (E_RNA) where: Base-Base interactions energy: -15.509 where: short stacking energy: -15.509 Base-Backbone interact. energy: -0.000 local terms energy: -23.150284 where: bonds (distance) C4'-P energy: -4.787 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -4.635 flat angles P-C4'-P energy: -3.693 tors. eta vs tors. theta energy: -4.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 411 Temperature: 1.000000 Total energy: -31.471760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.471760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.471760 (E_RNA) where: Base-Base interactions energy: -10.767 where: short stacking energy: -10.767 Base-Backbone interact. energy: -0.005 local terms energy: -20.700363 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -5.534 flat angles P-C4'-P energy: -3.112 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: 7 ===================================== Write number: 411 Temperature: 1.050000 Total energy: -27.980198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.980198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.980198 (E_RNA) where: Base-Base interactions energy: -6.706 where: short stacking energy: -6.706 Base-Backbone interact. energy: -0.018 local terms energy: -21.256478 where: bonds (distance) C4'-P energy: -4.227 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -5.032 flat angles P-C4'-P energy: -3.887 tors. eta vs tors. theta energy: -2.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 411 Temperature: 1.100000 Total energy: -32.594760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.594760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.594760 (E_RNA) where: Base-Base interactions energy: -11.235 where: short stacking energy: -11.235 Base-Backbone interact. energy: -0.000 local terms energy: -21.359853 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -4.935 flat angles C4'-P-C4' energy: -4.548 flat angles P-C4'-P energy: -2.687 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: 10 ===================================== Write number: 411 Temperature: 1.150000 Total energy: -32.583632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.583632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.583632 (E_RNA) where: Base-Base interactions energy: -11.838 where: short stacking energy: -10.066 Base-Backbone interact. energy: -0.140 local terms energy: -20.605375 where: bonds (distance) C4'-P energy: -4.628 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -4.581 flat angles P-C4'-P energy: -2.160 tors. eta vs tors. theta energy: -2.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 411 Temperature: 1.200000 Total energy: -23.548239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.548239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.548239 (E_RNA) where: Base-Base interactions energy: -7.597 where: short stacking energy: -7.597 Base-Backbone interact. energy: -0.052 local terms energy: -15.898743 where: bonds (distance) C4'-P energy: -4.315 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -2.774 flat angles P-C4'-P energy: -3.046 tors. eta vs tors. theta energy: -0.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 411 Temperature: 1.250000 Total energy: -27.698876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.698876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.698876 (E_RNA) where: Base-Base interactions energy: -8.319 where: short stacking energy: -8.319 Base-Backbone interact. energy: -0.002 local terms energy: -19.377927 where: bonds (distance) C4'-P energy: -4.049 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -3.876 flat angles P-C4'-P energy: -3.855 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: 9, replica: 6 ===================================== Write number: 411 Temperature: 1.300000 Total energy: -29.195908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.195908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.195908 (E_RNA) where: Base-Base interactions energy: -10.451 where: short stacking energy: -10.451 Base-Backbone interact. energy: -0.000 local terms energy: -18.744925 where: bonds (distance) C4'-P energy: -3.760 bonds (distance) P-C4' energy: -4.835 flat angles C4'-P-C4' energy: -3.833 flat angles P-C4'-P energy: -3.081 tors. eta vs tors. theta energy: -3.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 411 Temperature: 1.350000 Total energy: -30.813092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.813092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.813092 (E_RNA) where: Base-Base interactions energy: -13.193 where: short stacking energy: -13.193 Base-Backbone interact. energy: -0.000 local terms energy: -17.619701 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -4.420 flat angles C4'-P-C4' energy: -2.723 flat angles P-C4'-P energy: -2.524 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: 1, replica: 5 ===================================== Write number: 412 Temperature: 0.900000 Total energy: -39.708632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.708632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.708632 (E_RNA) where: Base-Base interactions energy: -15.989 where: short stacking energy: -15.989 Base-Backbone interact. energy: -0.000 local terms energy: -23.719290 where: bonds (distance) C4'-P energy: -5.498 bonds (distance) P-C4' energy: -3.733 flat angles C4'-P-C4' energy: -4.816 flat angles P-C4'-P energy: -3.685 tors. eta vs tors. theta energy: -5.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 412 Temperature: 0.950000 Total energy: -36.989184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.989184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.989184 (E_RNA) where: Base-Base interactions energy: -14.798 where: short stacking energy: -14.798 Base-Backbone interact. energy: -0.000 local terms energy: -22.191049 where: bonds (distance) C4'-P energy: -4.795 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -4.587 flat angles P-C4'-P energy: -2.971 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: 3, replica: 7 ===================================== Write number: 412 Temperature: 1.000000 Total energy: -38.582738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.582738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.582738 (E_RNA) where: Base-Base interactions energy: -15.810 where: short stacking energy: -15.810 Base-Backbone interact. energy: -0.001 local terms energy: -22.772255 where: bonds (distance) C4'-P energy: -4.430 bonds (distance) P-C4' energy: -4.935 flat angles C4'-P-C4' energy: -4.413 flat angles P-C4'-P energy: -3.465 tors. eta vs tors. theta energy: -5.529 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: 8 ===================================== Write number: 412 Temperature: 1.050000 Total energy: -32.019468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.019468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.019468 (E_RNA) where: Base-Base interactions energy: -11.334 where: short stacking energy: -11.334 Base-Backbone interact. energy: -0.000 local terms energy: -20.685356 where: bonds (distance) C4'-P energy: -4.778 bonds (distance) P-C4' energy: -4.832 flat angles C4'-P-C4' energy: -5.073 flat angles P-C4'-P energy: -2.758 tors. eta vs tors. theta energy: -3.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 412 Temperature: 1.100000 Total energy: -30.605604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.605604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.605604 (E_RNA) where: Base-Base interactions energy: -11.590 where: short stacking energy: -11.590 Base-Backbone interact. energy: -0.042 local terms energy: -18.973289 where: bonds (distance) C4'-P energy: -4.555 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.091 flat angles P-C4'-P energy: -2.329 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: 6, replica: 1 ===================================== Write number: 412 Temperature: 1.150000 Total energy: -35.949090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.949090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.949090 (E_RNA) where: Base-Base interactions energy: -12.100 where: short stacking energy: -12.100 Base-Backbone interact. energy: -0.000 local terms energy: -23.848845 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -5.305 flat angles P-C4'-P energy: -3.942 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: 4 ===================================== Write number: 412 Temperature: 1.200000 Total energy: -26.422913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.422913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.422913 (E_RNA) where: Base-Base interactions energy: -9.409 where: short stacking energy: -9.409 Base-Backbone interact. energy: -0.000 local terms energy: -17.013622 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -3.905 flat angles C4'-P-C4' energy: -4.645 flat angles P-C4'-P energy: -1.768 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: 8, replica: 2 ===================================== Write number: 412 Temperature: 1.250000 Total energy: -29.353302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.353302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.353302 (E_RNA) where: Base-Base interactions energy: -7.579 where: short stacking energy: -7.579 Base-Backbone interact. energy: -0.000 local terms energy: -21.774517 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.759 flat angles C4'-P-C4' energy: -5.315 flat angles P-C4'-P energy: -1.960 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: 9, replica: 9 ===================================== Write number: 412 Temperature: 1.300000 Total energy: -25.108156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.108156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.108156 (E_RNA) where: Base-Base interactions energy: -7.206 where: short stacking energy: -7.206 Base-Backbone interact. energy: -0.000 local terms energy: -17.902042 where: bonds (distance) C4'-P energy: -3.830 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -3.918 flat angles P-C4'-P energy: -3.458 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: 6 ===================================== Write number: 412 Temperature: 1.350000 Total energy: -23.084780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.084780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.084780 (E_RNA) where: Base-Base interactions energy: -5.704 where: short stacking energy: -5.704 Base-Backbone interact. energy: -0.006 local terms energy: -17.375426 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -4.067 flat angles P-C4'-P energy: -3.789 tors. eta vs tors. theta energy: 0.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 413 Temperature: 0.900000 Total energy: -34.393314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.393314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.393314 (E_RNA) where: Base-Base interactions energy: -14.171 where: short stacking energy: -14.171 Base-Backbone interact. energy: -0.000 local terms energy: -20.221881 where: bonds (distance) C4'-P energy: -4.219 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.829 flat angles P-C4'-P energy: -3.689 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: 2, replica: 3 ===================================== Write number: 413 Temperature: 0.950000 Total energy: -31.898822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.898822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.898822 (E_RNA) where: Base-Base interactions energy: -11.865 where: short stacking energy: -11.865 Base-Backbone interact. energy: -0.013 local terms energy: -20.020628 where: bonds (distance) C4'-P energy: -3.723 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -4.733 flat angles P-C4'-P energy: -4.712 tors. eta vs tors. theta energy: -1.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 413 Temperature: 1.000000 Total energy: -33.470392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.470392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.470392 (E_RNA) where: Base-Base interactions energy: -14.152 where: short stacking energy: -14.152 Base-Backbone interact. energy: -0.000 local terms energy: -19.317850 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -4.381 flat angles C4'-P-C4' energy: -4.169 flat angles P-C4'-P energy: -2.997 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: 4, replica: 8 ===================================== Write number: 413 Temperature: 1.050000 Total energy: -28.072504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.072504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.072504 (E_RNA) where: Base-Base interactions energy: -8.160 where: short stacking energy: -8.160 Base-Backbone interact. energy: -0.002 local terms energy: -19.910979 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -3.789 flat angles C4'-P-C4' energy: -5.453 flat angles P-C4'-P energy: -2.764 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: 5, replica: 10 ===================================== Write number: 413 Temperature: 1.100000 Total energy: -26.653425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.653425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.653425 (E_RNA) where: Base-Base interactions energy: -7.096 where: short stacking energy: -7.096 Base-Backbone interact. energy: -0.018 local terms energy: -19.538863 where: bonds (distance) C4'-P energy: -4.335 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -2.921 flat angles P-C4'-P energy: -3.548 tors. eta vs tors. theta energy: -2.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 413 Temperature: 1.150000 Total energy: -26.263383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.263383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.263383 (E_RNA) where: Base-Base interactions energy: -7.845 where: short stacking energy: -7.845 Base-Backbone interact. energy: -0.000 local terms energy: -18.418433 where: bonds (distance) C4'-P energy: -4.240 bonds (distance) P-C4' energy: -4.811 flat angles C4'-P-C4' energy: -4.611 flat angles P-C4'-P energy: -2.410 tors. eta vs tors. theta energy: -2.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 413 Temperature: 1.200000 Total energy: -36.164395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.164395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.164395 (E_RNA) where: Base-Base interactions energy: -15.250 where: short stacking energy: -15.250 Base-Backbone interact. energy: -0.100 local terms energy: -20.814579 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -4.782 flat angles C4'-P-C4' energy: -4.918 flat angles P-C4'-P energy: -2.343 tors. eta vs tors. theta energy: -3.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 413 Temperature: 1.250000 Total energy: -28.408878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.408878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.408878 (E_RNA) where: Base-Base interactions energy: -10.015 where: short stacking energy: -10.015 Base-Backbone interact. energy: -0.093 local terms energy: -18.300673 where: bonds (distance) C4'-P energy: -3.892 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -4.643 flat angles P-C4'-P energy: -4.612 tors. eta vs tors. theta energy: -0.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 413 Temperature: 1.300000 Total energy: -25.572150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.572150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.572150 (E_RNA) where: Base-Base interactions energy: -7.863 where: short stacking energy: -7.863 Base-Backbone interact. energy: -0.009 local terms energy: -17.700489 where: bonds (distance) C4'-P energy: -3.933 bonds (distance) P-C4' energy: -4.022 flat angles C4'-P-C4' energy: -4.741 flat angles P-C4'-P energy: -2.318 tors. eta vs tors. theta energy: -2.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 413 Temperature: 1.350000 Total energy: -24.478021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.478021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.478021 (E_RNA) where: Base-Base interactions energy: -7.069 where: short stacking energy: -6.987 Base-Backbone interact. energy: -0.003 local terms energy: -17.405334 where: bonds (distance) C4'-P energy: -4.041 bonds (distance) P-C4' energy: -3.997 flat angles C4'-P-C4' energy: -3.575 flat angles P-C4'-P energy: -3.099 tors. eta vs tors. theta energy: -2.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 414 Temperature: 0.900000 Total energy: -40.768771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.768771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.768771 (E_RNA) where: Base-Base interactions energy: -16.949 where: short stacking energy: -16.949 Base-Backbone interact. energy: -0.000 local terms energy: -23.820066 where: bonds (distance) C4'-P energy: -4.377 bonds (distance) P-C4' energy: -4.969 flat angles C4'-P-C4' energy: -5.414 flat angles P-C4'-P energy: -2.977 tors. eta vs tors. theta energy: -6.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 414 Temperature: 0.950000 Total energy: -39.889852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.889852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.889852 (E_RNA) where: Base-Base interactions energy: -16.173 where: short stacking energy: -16.173 Base-Backbone interact. energy: -0.000 local terms energy: -23.716485 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.241 flat angles C4'-P-C4' energy: -5.047 flat angles P-C4'-P energy: -2.264 tors. eta vs tors. theta energy: -5.791 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: 8 ===================================== Write number: 414 Temperature: 1.000000 Total energy: -32.176544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.176544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.176544 (E_RNA) where: Base-Base interactions energy: -12.265 where: short stacking energy: -12.265 Base-Backbone interact. energy: -0.000 local terms energy: -19.911177 where: bonds (distance) C4'-P energy: -4.547 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -5.727 flat angles P-C4'-P energy: -3.740 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: 4, replica: 7 ===================================== Write number: 414 Temperature: 1.050000 Total energy: -26.604870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.604870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.604870 (E_RNA) where: Base-Base interactions energy: -8.003 where: short stacking energy: -8.003 Base-Backbone interact. energy: -0.071 local terms energy: -18.530741 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -4.068 flat angles P-C4'-P energy: -2.975 tors. eta vs tors. theta energy: -0.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 414 Temperature: 1.100000 Total energy: -27.778053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.778053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.778053 (E_RNA) where: Base-Base interactions energy: -7.899 where: short stacking energy: -7.899 Base-Backbone interact. energy: -0.000 local terms energy: -19.878734 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.122 flat angles P-C4'-P energy: -1.920 tors. eta vs tors. theta energy: -2.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 414 Temperature: 1.150000 Total energy: -32.882990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.882990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.882990 (E_RNA) where: Base-Base interactions energy: -11.684 where: short stacking energy: -11.684 Base-Backbone interact. energy: -0.000 local terms energy: -21.198917 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -5.133 flat angles P-C4'-P energy: -4.579 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: 9 ===================================== Write number: 414 Temperature: 1.200000 Total energy: -26.768682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.768682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.768682 (E_RNA) where: Base-Base interactions energy: -7.567 where: short stacking energy: -7.567 Base-Backbone interact. energy: -0.004 local terms energy: -19.197386 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -2.086 flat angles P-C4'-P energy: -4.133 tors. eta vs tors. theta energy: -1.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 414 Temperature: 1.250000 Total energy: -23.646659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.646659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.646659 (E_RNA) where: Base-Base interactions energy: -5.740 where: short stacking energy: -5.740 Base-Backbone interact. energy: -0.002 local terms energy: -17.905400 where: bonds (distance) C4'-P energy: -5.175 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -4.093 flat angles P-C4'-P energy: -0.150 tors. eta vs tors. theta energy: -3.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 414 Temperature: 1.300000 Total energy: -27.502879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.502879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.502879 (E_RNA) where: Base-Base interactions energy: -7.488 where: short stacking energy: -7.488 Base-Backbone interact. energy: -0.000 local terms energy: -20.015040 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -3.761 flat angles C4'-P-C4' energy: -4.793 flat angles P-C4'-P energy: -2.976 tors. eta vs tors. theta energy: -3.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 414 Temperature: 1.350000 Total energy: -27.164812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.164812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.164812 (E_RNA) where: Base-Base interactions energy: -11.455 where: short stacking energy: -11.455 Base-Backbone interact. energy: -0.003 local terms energy: -15.706793 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.286 flat angles C4'-P-C4' energy: -1.967 flat angles P-C4'-P energy: -2.700 tors. eta vs tors. theta energy: -0.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 415 Temperature: 0.900000 Total energy: -34.989355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.989355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.989355 (E_RNA) where: Base-Base interactions energy: -15.800 where: short stacking energy: -15.800 Base-Backbone interact. energy: -0.100 local terms energy: -19.089059 where: bonds (distance) C4'-P energy: -3.403 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -0.337 flat angles P-C4'-P energy: -4.243 tors. eta vs tors. theta energy: -4.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 415 Temperature: 0.950000 Total energy: -33.364180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.364180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.364180 (E_RNA) where: Base-Base interactions energy: -12.985 where: short stacking energy: -12.985 Base-Backbone interact. energy: -0.000 local terms energy: -20.378791 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.305 flat angles C4'-P-C4' energy: -3.920 flat angles P-C4'-P energy: -3.911 tors. eta vs tors. theta energy: -2.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 415 Temperature: 1.000000 Total energy: -33.299004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.299004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.299004 (E_RNA) where: Base-Base interactions energy: -12.160 where: short stacking energy: -12.160 Base-Backbone interact. energy: -0.040 local terms energy: -21.098704 where: bonds (distance) C4'-P energy: -5.175 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -3.729 flat angles P-C4'-P energy: -2.711 tors. eta vs tors. theta energy: -4.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 415 Temperature: 1.050000 Total energy: -30.271233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.271233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.271233 (E_RNA) where: Base-Base interactions energy: -10.092 where: short stacking energy: -10.092 Base-Backbone interact. energy: -0.053 local terms energy: -20.126416 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -3.657 flat angles P-C4'-P energy: -2.962 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: 7 ===================================== Write number: 415 Temperature: 1.100000 Total energy: -30.449638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.449638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.449638 (E_RNA) where: Base-Base interactions energy: -10.664 where: short stacking energy: -10.664 Base-Backbone interact. energy: -0.000 local terms energy: -19.785785 where: bonds (distance) C4'-P energy: -4.547 bonds (distance) P-C4' energy: -4.004 flat angles C4'-P-C4' energy: -3.566 flat angles P-C4'-P energy: -4.102 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: 6, replica: 9 ===================================== Write number: 415 Temperature: 1.150000 Total energy: -34.107272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.107272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.107272 (E_RNA) where: Base-Base interactions energy: -12.180 where: short stacking energy: -12.180 Base-Backbone interact. energy: -0.000 local terms energy: -21.927040 where: bonds (distance) C4'-P energy: -5.188 bonds (distance) P-C4' energy: -3.666 flat angles C4'-P-C4' energy: -5.079 flat angles P-C4'-P energy: -4.315 tors. eta vs tors. theta energy: -3.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 415 Temperature: 1.200000 Total energy: -28.815102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.815102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.815102 (E_RNA) where: Base-Base interactions energy: -11.997 where: short stacking energy: -11.997 Base-Backbone interact. energy: -0.005 local terms energy: -16.813363 where: bonds (distance) C4'-P energy: -3.863 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -4.320 flat angles P-C4'-P energy: -3.564 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: 8, replica: 6 ===================================== Write number: 415 Temperature: 1.250000 Total energy: -24.968948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.968948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.968948 (E_RNA) where: Base-Base interactions energy: -6.123 where: short stacking energy: -6.123 Base-Backbone interact. energy: -0.074 local terms energy: -18.772716 where: bonds (distance) C4'-P energy: -4.049 bonds (distance) P-C4' energy: -5.540 flat angles C4'-P-C4' energy: -5.385 flat angles P-C4'-P energy: -3.324 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: 9, replica: 1 ===================================== Write number: 415 Temperature: 1.300000 Total energy: -27.165973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.165973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.165973 (E_RNA) where: Base-Base interactions energy: -6.659 where: short stacking energy: -6.659 Base-Backbone interact. energy: -0.000 local terms energy: -20.507170 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -4.729 flat angles P-C4'-P energy: -4.055 tors. eta vs tors. theta energy: -0.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 415 Temperature: 1.350000 Total energy: -24.111278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.111278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.111278 (E_RNA) where: Base-Base interactions energy: -3.355 where: short stacking energy: -3.355 Base-Backbone interact. energy: -0.004 local terms energy: -20.752349 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.406 flat angles P-C4'-P energy: -3.150 tors. eta vs tors. theta energy: -1.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 416 Temperature: 0.900000 Total energy: -36.859290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.859290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.859290 (E_RNA) where: Base-Base interactions energy: -16.507 where: short stacking energy: -16.507 Base-Backbone interact. energy: -0.006 local terms energy: -20.347082 where: bonds (distance) C4'-P energy: -4.786 bonds (distance) P-C4' energy: -4.255 flat angles C4'-P-C4' energy: -5.221 flat angles P-C4'-P energy: -4.064 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: 2, replica: 5 ===================================== Write number: 416 Temperature: 0.950000 Total energy: -35.254164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.254164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.254164 (E_RNA) where: Base-Base interactions energy: -11.118 where: short stacking energy: -11.118 Base-Backbone interact. energy: -0.000 local terms energy: -24.136422 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.868 flat angles P-C4'-P energy: -3.358 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: 3, replica: 4 ===================================== Write number: 416 Temperature: 1.000000 Total energy: -35.920089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.920089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.920089 (E_RNA) where: Base-Base interactions energy: -12.816 where: short stacking energy: -12.816 Base-Backbone interact. energy: -0.000 local terms energy: -23.104228 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -5.105 flat angles P-C4'-P energy: -2.906 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: 4, replica: 3 ===================================== Write number: 416 Temperature: 1.050000 Total energy: -26.883380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.883380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.883380 (E_RNA) where: Base-Base interactions energy: -7.769 where: short stacking energy: -7.769 Base-Backbone interact. energy: -0.045 local terms energy: -19.068975 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -4.642 flat angles C4'-P-C4' energy: -4.869 flat angles P-C4'-P energy: -2.662 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: 5, replica: 9 ===================================== Write number: 416 Temperature: 1.100000 Total energy: -28.650376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.650376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.650376 (E_RNA) where: Base-Base interactions energy: -8.202 where: short stacking energy: -8.202 Base-Backbone interact. energy: -0.000 local terms energy: -20.448073 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -5.730 flat angles P-C4'-P energy: -3.069 tors. eta vs tors. theta energy: -1.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 416 Temperature: 1.150000 Total energy: -28.887379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.887379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.887379 (E_RNA) where: Base-Base interactions energy: -7.990 where: short stacking energy: -7.990 Base-Backbone interact. energy: -0.000 local terms energy: -20.897478 where: bonds (distance) C4'-P energy: -4.563 bonds (distance) P-C4' energy: -4.875 flat angles C4'-P-C4' energy: -3.978 flat angles P-C4'-P energy: -4.051 tors. eta vs tors. theta energy: -3.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 416 Temperature: 1.200000 Total energy: -29.928883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.928883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.928883 (E_RNA) where: Base-Base interactions energy: -11.703 where: short stacking energy: -11.703 Base-Backbone interact. energy: -0.000 local terms energy: -18.225221 where: bonds (distance) C4'-P energy: -4.786 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -2.196 flat angles P-C4'-P energy: -3.314 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: 8, replica: 10 ===================================== Write number: 416 Temperature: 1.250000 Total energy: -23.652761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.652761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.652761 (E_RNA) where: Base-Base interactions energy: -6.063 where: short stacking energy: -6.063 Base-Backbone interact. energy: -0.014 local terms energy: -17.575067 where: bonds (distance) C4'-P energy: -2.923 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -3.163 flat angles P-C4'-P energy: -3.812 tors. eta vs tors. theta energy: -1.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 416 Temperature: 1.300000 Total energy: -28.770508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.770508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.770508 (E_RNA) where: Base-Base interactions energy: -5.747 where: short stacking energy: -5.747 Base-Backbone interact. energy: -0.000 local terms energy: -23.023767 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -5.470 flat angles P-C4'-P energy: -2.968 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: 10, replica: 1 ===================================== Write number: 416 Temperature: 1.350000 Total energy: -25.954198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.954198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.954198 (E_RNA) where: Base-Base interactions energy: -7.052 where: short stacking energy: -7.052 Base-Backbone interact. energy: -0.006 local terms energy: -18.896571 where: bonds (distance) C4'-P energy: -4.725 bonds (distance) P-C4' energy: -4.255 flat angles C4'-P-C4' energy: -5.240 flat angles P-C4'-P energy: -3.025 tors. eta vs tors. theta energy: -1.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 417 Temperature: 0.900000 Total energy: -34.349974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.349974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.349974 (E_RNA) where: Base-Base interactions energy: -12.629 where: short stacking energy: -12.629 Base-Backbone interact. energy: -0.013 local terms energy: -21.707731 where: bonds (distance) C4'-P energy: -4.725 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.413 flat angles P-C4'-P energy: -4.602 tors. eta vs tors. theta energy: -1.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 417 Temperature: 0.950000 Total energy: -40.185265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.185265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.185265 (E_RNA) where: Base-Base interactions energy: -15.936 where: short stacking energy: -15.936 Base-Backbone interact. energy: -0.000 local terms energy: -24.249707 where: bonds (distance) C4'-P energy: -4.563 bonds (distance) P-C4' energy: -4.262 flat angles C4'-P-C4' energy: -5.218 flat angles P-C4'-P energy: -4.209 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: 5 ===================================== Write number: 417 Temperature: 1.000000 Total energy: -30.937537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.937537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.937537 (E_RNA) where: Base-Base interactions energy: -12.588 where: short stacking energy: -12.588 Base-Backbone interact. energy: -0.000 local terms energy: -18.349347 where: bonds (distance) C4'-P energy: -4.173 bonds (distance) P-C4' energy: -5.491 flat angles C4'-P-C4' energy: -5.468 flat angles P-C4'-P energy: -1.955 tors. eta vs tors. theta energy: -1.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 417 Temperature: 1.050000 Total energy: -34.131960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.131960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.131960 (E_RNA) where: Base-Base interactions energy: -10.309 where: short stacking energy: -10.309 Base-Backbone interact. energy: -0.189 local terms energy: -23.634384 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.205 flat angles P-C4'-P energy: -3.820 tors. eta vs tors. theta energy: -3.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 417 Temperature: 1.100000 Total energy: -25.380261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.380261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.380261 (E_RNA) where: Base-Base interactions energy: -8.339 where: short stacking energy: -8.339 Base-Backbone interact. energy: -0.002 local terms energy: -17.039716 where: bonds (distance) C4'-P energy: -4.227 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -5.097 flat angles P-C4'-P energy: -3.342 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: 6, replica: 6 ===================================== Write number: 417 Temperature: 1.150000 Total energy: -31.810449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.810449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.810449 (E_RNA) where: Base-Base interactions energy: -11.494 where: short stacking energy: -11.494 Base-Backbone interact. energy: -0.000 local terms energy: -20.316016 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -4.022 flat angles C4'-P-C4' energy: -4.513 flat angles P-C4'-P energy: -2.519 tors. eta vs tors. theta energy: -3.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 417 Temperature: 1.200000 Total energy: -25.596235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.596235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.596235 (E_RNA) where: Base-Base interactions energy: -6.568 where: short stacking energy: -6.568 Base-Backbone interact. energy: -0.000 local terms energy: -19.027523 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -4.885 flat angles P-C4'-P energy: -3.820 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: 8, replica: 2 ===================================== Write number: 417 Temperature: 1.250000 Total energy: -28.669470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.669470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.669470 (E_RNA) where: Base-Base interactions energy: -11.111 where: short stacking energy: -11.111 Base-Backbone interact. energy: -0.042 local terms energy: -17.515810 where: bonds (distance) C4'-P energy: -4.240 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -5.319 flat angles P-C4'-P energy: -2.424 tors. eta vs tors. theta energy: 0.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 417 Temperature: 1.300000 Total energy: -26.830813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.830813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.830813 (E_RNA) where: Base-Base interactions energy: -7.705 where: short stacking energy: -7.705 Base-Backbone interact. energy: -1.181 local terms energy: -17.945252 where: bonds (distance) C4'-P energy: -1.785 bonds (distance) P-C4' energy: -4.252 flat angles C4'-P-C4' energy: -4.761 flat angles P-C4'-P energy: -3.140 tors. eta vs tors. theta energy: -4.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 417 Temperature: 1.350000 Total energy: -27.225780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.225780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.225780 (E_RNA) where: Base-Base interactions energy: -9.668 where: short stacking energy: -9.668 Base-Backbone interact. energy: -0.000 local terms energy: -17.557757 where: bonds (distance) C4'-P energy: -3.010 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -0.773 flat angles P-C4'-P energy: -4.561 tors. eta vs tors. theta energy: -3.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 418 Temperature: 0.900000 Total energy: -39.358314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.358314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.358314 (E_RNA) where: Base-Base interactions energy: -15.731 where: short stacking energy: -15.731 Base-Backbone interact. energy: -0.003 local terms energy: -23.623862 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -5.475 flat angles P-C4'-P energy: -3.935 tors. eta vs tors. theta energy: -3.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 418 Temperature: 0.950000 Total energy: -40.202867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.202867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.202867 (E_RNA) where: Base-Base interactions energy: -15.933 where: short stacking energy: -15.933 Base-Backbone interact. energy: -0.000 local terms energy: -24.269854 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -5.079 flat angles P-C4'-P energy: -3.349 tors. eta vs tors. theta energy: -4.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 418 Temperature: 1.000000 Total energy: -28.862760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.862760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.862760 (E_RNA) where: Base-Base interactions energy: -11.367 where: short stacking energy: -11.367 Base-Backbone interact. energy: -0.157 local terms energy: -17.338972 where: bonds (distance) C4'-P energy: -2.443 bonds (distance) P-C4' energy: -4.945 flat angles C4'-P-C4' energy: -4.195 flat angles P-C4'-P energy: -4.013 tors. eta vs tors. theta energy: -1.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 418 Temperature: 1.050000 Total energy: -26.776680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.776680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.776680 (E_RNA) where: Base-Base interactions energy: -8.599 where: short stacking energy: -8.599 Base-Backbone interact. energy: -0.099 local terms energy: -18.078234 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -5.509 flat angles P-C4'-P energy: -2.014 tors. eta vs tors. theta energy: 0.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 418 Temperature: 1.100000 Total energy: -29.564114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.564114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.564114 (E_RNA) where: Base-Base interactions energy: -8.375 where: short stacking energy: -8.375 Base-Backbone interact. energy: -0.015 local terms energy: -21.174069 where: bonds (distance) C4'-P energy: -4.335 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.133 flat angles P-C4'-P energy: -3.195 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: 6, replica: 3 ===================================== Write number: 418 Temperature: 1.150000 Total energy: -26.542245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.542245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.542245 (E_RNA) where: Base-Base interactions energy: -8.471 where: short stacking energy: -8.471 Base-Backbone interact. energy: -0.131 local terms energy: -17.939922 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -4.872 flat angles C4'-P-C4' energy: -3.295 flat angles P-C4'-P energy: -4.675 tors. eta vs tors. theta energy: -0.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 418 Temperature: 1.200000 Total energy: -26.537515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.537515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.537515 (E_RNA) where: Base-Base interactions energy: -10.330 where: short stacking energy: -10.330 Base-Backbone interact. energy: -0.010 local terms energy: -16.198303 where: bonds (distance) C4'-P energy: -4.555 bonds (distance) P-C4' energy: -4.410 flat angles C4'-P-C4' energy: -3.483 flat angles P-C4'-P energy: -2.844 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: 8, replica: 7 ===================================== Write number: 418 Temperature: 1.250000 Total energy: -31.144540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.144540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.144540 (E_RNA) where: Base-Base interactions energy: -12.695 where: short stacking energy: -12.695 Base-Backbone interact. energy: -0.001 local terms energy: -18.448318 where: bonds (distance) C4'-P energy: -4.025 bonds (distance) P-C4' energy: -5.305 flat angles C4'-P-C4' energy: -4.443 flat angles P-C4'-P energy: -2.615 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: 9, replica: 1 ===================================== Write number: 418 Temperature: 1.300000 Total energy: -26.433272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.433272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.433272 (E_RNA) where: Base-Base interactions energy: -6.965 where: short stacking energy: -7.311 Base-Backbone interact. energy: -0.000 local terms energy: -19.467892 where: bonds (distance) C4'-P energy: -2.845 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -3.180 flat angles P-C4'-P energy: -4.323 tors. eta vs tors. theta energy: -3.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 418 Temperature: 1.350000 Total energy: -24.996553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.996553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.996553 (E_RNA) where: Base-Base interactions energy: -7.805 where: short stacking energy: -7.805 Base-Backbone interact. energy: -0.001 local terms energy: -17.191038 where: bonds (distance) C4'-P energy: -1.115 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -3.625 flat angles P-C4'-P energy: -2.707 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: 419 Temperature: 0.900000 Total energy: -36.463159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.463159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.463159 (E_RNA) where: Base-Base interactions energy: -14.273 where: short stacking energy: -14.273 Base-Backbone interact. energy: -0.000 local terms energy: -22.190239 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -5.261 flat angles C4'-P-C4' energy: -4.690 flat angles P-C4'-P energy: -3.316 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: 5 ===================================== Write number: 419 Temperature: 0.950000 Total energy: -34.387401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.387401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.387401 (E_RNA) where: Base-Base interactions energy: -13.835 where: short stacking energy: -13.835 Base-Backbone interact. energy: -0.000 local terms energy: -20.552730 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -3.693 flat angles P-C4'-P energy: -3.554 tors. eta vs tors. theta energy: -2.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 419 Temperature: 1.000000 Total energy: -37.570310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.570310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.570310 (E_RNA) where: Base-Base interactions energy: -16.374 where: short stacking energy: -16.374 Base-Backbone interact. energy: -0.000 local terms energy: -21.196571 where: bonds (distance) C4'-P energy: -3.598 bonds (distance) P-C4' energy: -4.776 flat angles C4'-P-C4' energy: -4.944 flat angles P-C4'-P energy: -2.989 tors. eta vs tors. theta energy: -4.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 419 Temperature: 1.050000 Total energy: -33.385223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.385223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.385223 (E_RNA) where: Base-Base interactions energy: -10.870 where: short stacking energy: -10.870 Base-Backbone interact. energy: -0.000 local terms energy: -22.515026 where: bonds (distance) C4'-P energy: -5.143 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -5.731 flat angles P-C4'-P energy: -3.063 tors. eta vs tors. theta energy: -2.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 419 Temperature: 1.100000 Total energy: -27.225201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.225201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.225201 (E_RNA) where: Base-Base interactions energy: -10.183 where: short stacking energy: -10.183 Base-Backbone interact. energy: -0.012 local terms energy: -17.030504 where: bonds (distance) C4'-P energy: -3.908 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -2.893 flat angles P-C4'-P energy: -2.834 tors. eta vs tors. theta energy: -1.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 419 Temperature: 1.150000 Total energy: -29.069173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.069173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.069173 (E_RNA) where: Base-Base interactions energy: -11.648 where: short stacking energy: -11.648 Base-Backbone interact. energy: -0.000 local terms energy: -17.420701 where: bonds (distance) C4'-P energy: -2.497 bonds (distance) P-C4' energy: -5.237 flat angles C4'-P-C4' energy: -3.338 flat angles P-C4'-P energy: -2.275 tors. eta vs tors. theta energy: -4.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 419 Temperature: 1.200000 Total energy: -30.792067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.792067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.792067 (E_RNA) where: Base-Base interactions energy: -12.543 where: short stacking energy: -12.543 Base-Backbone interact. energy: -0.000 local terms energy: -18.248679 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -3.436 flat angles C4'-P-C4' energy: -3.691 flat angles P-C4'-P energy: -2.687 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: 8, replica: 1 ===================================== Write number: 419 Temperature: 1.250000 Total energy: -24.160038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.160038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.160038 (E_RNA) where: Base-Base interactions energy: -7.368 where: short stacking energy: -7.368 Base-Backbone interact. energy: -0.000 local terms energy: -16.792087 where: bonds (distance) C4'-P energy: -3.876 bonds (distance) P-C4' energy: -4.702 flat angles C4'-P-C4' energy: -3.009 flat angles P-C4'-P energy: -4.051 tors. eta vs tors. theta energy: -1.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 419 Temperature: 1.300000 Total energy: -28.163261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.163261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.163261 (E_RNA) where: Base-Base interactions energy: -8.024 where: short stacking energy: -8.024 Base-Backbone interact. energy: -0.004 local terms energy: -20.135315 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -3.814 flat angles P-C4'-P energy: -3.930 tors. eta vs tors. theta energy: -1.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 419 Temperature: 1.350000 Total energy: -22.097623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.097623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.097623 (E_RNA) where: Base-Base interactions energy: -6.685 where: short stacking energy: -6.856 Base-Backbone interact. energy: -0.000 local terms energy: -15.412970 where: bonds (distance) C4'-P energy: -1.760 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -3.879 flat angles P-C4'-P energy: -3.286 tors. eta vs tors. theta energy: -0.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 420 Temperature: 0.900000 Total energy: -33.905472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.905472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.905472 (E_RNA) where: Base-Base interactions energy: -11.722 where: short stacking energy: -11.722 Base-Backbone interact. energy: -0.000 local terms energy: -22.183604 where: bonds (distance) C4'-P energy: -4.538 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -5.182 flat angles P-C4'-P energy: -4.056 tors. eta vs tors. theta energy: -2.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 420 Temperature: 0.950000 Total energy: -26.566238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.566238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.566238 (E_RNA) where: Base-Base interactions energy: -7.282 where: short stacking energy: -7.282 Base-Backbone interact. energy: -0.000 local terms energy: -19.283718 where: bonds (distance) C4'-P energy: -5.188 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -4.576 flat angles P-C4'-P energy: -4.171 tors. eta vs tors. theta energy: -0.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 420 Temperature: 1.000000 Total energy: -31.498923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.498923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.498923 (E_RNA) where: Base-Base interactions energy: -11.055 where: short stacking energy: -11.055 Base-Backbone interact. energy: -0.000 local terms energy: -20.443431 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -3.072 flat angles P-C4'-P energy: -4.465 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: 4, replica: 6 ===================================== Write number: 420 Temperature: 1.050000 Total energy: -34.037596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.037596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.037596 (E_RNA) where: Base-Base interactions energy: -12.877 where: short stacking energy: -12.877 Base-Backbone interact. energy: -0.048 local terms energy: -21.112024 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -3.979 flat angles C4'-P-C4' energy: -3.870 flat angles P-C4'-P energy: -3.974 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: 9 ===================================== Write number: 420 Temperature: 1.100000 Total energy: -27.338684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.338684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.338684 (E_RNA) where: Base-Base interactions energy: -8.993 where: short stacking energy: -8.993 Base-Backbone interact. energy: -0.001 local terms energy: -18.344412 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -5.298 flat angles C4'-P-C4' energy: -5.103 flat angles P-C4'-P energy: -1.782 tors. eta vs tors. theta energy: -1.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 420 Temperature: 1.150000 Total energy: -26.287944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.287944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.287944 (E_RNA) where: Base-Base interactions energy: -5.975 where: short stacking energy: -5.975 Base-Backbone interact. energy: -0.000 local terms energy: -20.312518 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.576 flat angles P-C4'-P energy: -4.195 tors. eta vs tors. theta energy: -0.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 420 Temperature: 1.200000 Total energy: -24.935830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.935830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.935830 (E_RNA) where: Base-Base interactions energy: -2.753 where: short stacking energy: -3.353 Base-Backbone interact. energy: -0.488 local terms energy: -21.695182 where: bonds (distance) C4'-P energy: -4.451 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -3.713 flat angles P-C4'-P energy: -4.481 tors. eta vs tors. theta energy: -3.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 420 Temperature: 1.250000 Total energy: -29.136076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.136076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.136076 (E_RNA) where: Base-Base interactions energy: -10.611 where: short stacking energy: -10.611 Base-Backbone interact. energy: -0.056 local terms energy: -18.468859 where: bonds (distance) C4'-P energy: -2.406 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -4.345 flat angles P-C4'-P energy: -1.321 tors. eta vs tors. theta energy: -4.616 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: 9, replica: 10 ===================================== Write number: 420 Temperature: 1.300000 Total energy: -29.401290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.401290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.401290 (E_RNA) where: Base-Base interactions energy: -8.631 where: short stacking energy: -8.631 Base-Backbone interact. energy: -0.000 local terms energy: -20.770224 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -2.932 flat angles P-C4'-P energy: -4.392 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: 10, replica: 7 ===================================== Write number: 420 Temperature: 1.350000 Total energy: -26.689727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.689727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.689727 (E_RNA) where: Base-Base interactions energy: -10.847 where: short stacking energy: -8.767 Base-Backbone interact. energy: -0.001 local terms energy: -15.841885 where: bonds (distance) C4'-P energy: -4.687 bonds (distance) P-C4' energy: -4.305 flat angles C4'-P-C4' energy: -4.269 flat angles P-C4'-P energy: -3.156 tors. eta vs tors. theta energy: 0.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 421 Temperature: 0.900000 Total energy: -35.786815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.786815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.786815 (E_RNA) where: Base-Base interactions energy: -11.539 where: short stacking energy: -11.539 Base-Backbone interact. energy: -0.000 local terms energy: -24.247717 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.164 flat angles P-C4'-P energy: -3.641 tors. eta vs tors. theta energy: -4.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 421 Temperature: 0.950000 Total energy: -33.869963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.869963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.869963 (E_RNA) where: Base-Base interactions energy: -14.984 where: short stacking energy: -14.984 Base-Backbone interact. energy: -0.000 local terms energy: -18.886374 where: bonds (distance) C4'-P energy: -4.509 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -4.676 flat angles P-C4'-P energy: -0.634 tors. eta vs tors. theta energy: -3.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 421 Temperature: 1.000000 Total energy: -28.839100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.839100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.839100 (E_RNA) where: Base-Base interactions energy: -8.116 where: short stacking energy: -8.116 Base-Backbone interact. energy: -0.098 local terms energy: -20.624752 where: bonds (distance) C4'-P energy: -4.778 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -5.382 flat angles P-C4'-P energy: -4.313 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: 4, replica: 9 ===================================== Write number: 421 Temperature: 1.050000 Total energy: -31.214952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.214952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.214952 (E_RNA) where: Base-Base interactions energy: -11.600 where: short stacking energy: -11.600 Base-Backbone interact. energy: -0.000 local terms energy: -19.614724 where: bonds (distance) C4'-P energy: -4.744 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -4.811 flat angles P-C4'-P energy: -3.416 tors. eta vs tors. theta energy: -1.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 421 Temperature: 1.100000 Total energy: -30.410705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.410705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.410705 (E_RNA) where: Base-Base interactions energy: -11.321 where: short stacking energy: -11.321 Base-Backbone interact. energy: 0.074 local terms energy: -19.163067 where: bonds (distance) C4'-P energy: -2.985 bonds (distance) P-C4' energy: -5.494 flat angles C4'-P-C4' energy: -5.189 flat angles P-C4'-P energy: -1.483 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: 6, replica: 1 ===================================== Write number: 421 Temperature: 1.150000 Total energy: -26.639206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.639206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.639206 (E_RNA) where: Base-Base interactions energy: -8.825 where: short stacking energy: -8.825 Base-Backbone interact. energy: -0.001 local terms energy: -17.812690 where: bonds (distance) C4'-P energy: -4.725 bonds (distance) P-C4' energy: -5.298 flat angles C4'-P-C4' energy: -4.588 flat angles P-C4'-P energy: -3.789 tors. eta vs tors. theta energy: 0.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 421 Temperature: 1.200000 Total energy: -28.947391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.947391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.947391 (E_RNA) where: Base-Base interactions energy: -10.699 where: short stacking energy: -10.699 Base-Backbone interact. energy: -0.000 local terms energy: -18.248842 where: bonds (distance) C4'-P energy: -3.234 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.877 flat angles P-C4'-P energy: -2.624 tors. eta vs tors. theta energy: -1.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 421 Temperature: 1.250000 Total energy: -27.947619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.947619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.947619 (E_RNA) where: Base-Base interactions energy: -8.626 where: short stacking energy: -8.626 Base-Backbone interact. energy: 0.385 local terms energy: -19.706565 where: bonds (distance) C4'-P energy: -3.014 bonds (distance) P-C4' energy: -4.678 flat angles C4'-P-C4' energy: -4.089 flat angles P-C4'-P energy: -4.578 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: 9, replica: 3 ===================================== Write number: 421 Temperature: 1.300000 Total energy: -28.889762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.889762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.889762 (E_RNA) where: Base-Base interactions energy: -12.260 where: short stacking energy: -12.260 Base-Backbone interact. energy: -0.000 local terms energy: -16.629853 where: bonds (distance) C4'-P energy: -3.313 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -5.040 flat angles P-C4'-P energy: -1.637 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: 10, replica: 7 ===================================== Write number: 421 Temperature: 1.350000 Total energy: -26.539529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.539529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.539529 (E_RNA) where: Base-Base interactions energy: -8.343 where: short stacking energy: -8.343 Base-Backbone interact. energy: -0.090 local terms energy: -18.107430 where: bonds (distance) C4'-P energy: -4.786 bonds (distance) P-C4' energy: -3.987 flat angles C4'-P-C4' energy: -5.416 flat angles P-C4'-P energy: -2.721 tors. eta vs tors. theta energy: -1.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 422 Temperature: 0.900000 Total energy: -36.143275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.143275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.143275 (E_RNA) where: Base-Base interactions energy: -12.197 where: short stacking energy: -12.197 Base-Backbone interact. energy: -0.008 local terms energy: -23.938493 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.954 flat angles P-C4'-P energy: -4.465 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: 2, replica: 8 ===================================== Write number: 422 Temperature: 0.950000 Total energy: -40.546899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.546899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.546899 (E_RNA) where: Base-Base interactions energy: -15.344 where: short stacking energy: -15.344 Base-Backbone interact. energy: -0.000 local terms energy: -25.202379 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.206 flat angles C4'-P-C4' energy: -5.077 flat angles P-C4'-P energy: -4.181 tors. eta vs tors. theta energy: -5.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 422 Temperature: 1.000000 Total energy: -29.969799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.969799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.969799 (E_RNA) where: Base-Base interactions energy: -10.656 where: short stacking energy: -10.656 Base-Backbone interact. energy: -0.000 local terms energy: -19.313472 where: bonds (distance) C4'-P energy: -4.397 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.186 flat angles P-C4'-P energy: -2.572 tors. eta vs tors. theta energy: -1.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 422 Temperature: 1.050000 Total energy: -33.972195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.972195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.972195 (E_RNA) where: Base-Base interactions energy: -15.892 where: short stacking energy: -15.892 Base-Backbone interact. energy: -0.020 local terms energy: -18.060491 where: bonds (distance) C4'-P energy: -3.992 bonds (distance) P-C4' energy: -4.357 flat angles C4'-P-C4' energy: -4.261 flat angles P-C4'-P energy: -2.873 tors. eta vs tors. theta energy: -2.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 422 Temperature: 1.100000 Total energy: -25.432969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.432969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.432969 (E_RNA) where: Base-Base interactions energy: -6.223 where: short stacking energy: -6.223 Base-Backbone interact. energy: -0.000 local terms energy: -19.210154 where: bonds (distance) C4'-P energy: -5.089 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.246 flat angles P-C4'-P energy: -3.717 tors. eta vs tors. theta energy: -0.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 422 Temperature: 1.150000 Total energy: -31.720432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.720432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.720432 (E_RNA) where: Base-Base interactions energy: -15.925 where: short stacking energy: -15.925 Base-Backbone interact. energy: -0.000 local terms energy: -15.795599 where: bonds (distance) C4'-P energy: -2.411 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -3.831 flat angles P-C4'-P energy: -1.203 tors. eta vs tors. theta energy: -2.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 422 Temperature: 1.200000 Total energy: -26.604965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.604965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.604965 (E_RNA) where: Base-Base interactions energy: -7.004 where: short stacking energy: -7.004 Base-Backbone interact. energy: -0.170 local terms energy: -19.431769 where: bonds (distance) C4'-P energy: -4.273 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.607 flat angles P-C4'-P energy: -3.239 tors. eta vs tors. theta energy: -0.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 422 Temperature: 1.250000 Total energy: -31.642688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.642688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.642688 (E_RNA) where: Base-Base interactions energy: -11.483 where: short stacking energy: -11.483 Base-Backbone interact. energy: -0.000 local terms energy: -20.159360 where: bonds (distance) C4'-P energy: -4.033 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -4.038 flat angles P-C4'-P energy: -3.295 tors. eta vs tors. theta energy: -3.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 422 Temperature: 1.300000 Total energy: -26.797300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.797300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.797300 (E_RNA) where: Base-Base interactions energy: -6.986 where: short stacking energy: -6.986 Base-Backbone interact. energy: -0.028 local terms energy: -19.782924 where: bonds (distance) C4'-P energy: -3.669 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -5.256 flat angles P-C4'-P energy: -3.580 tors. eta vs tors. theta energy: -1.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 422 Temperature: 1.350000 Total energy: -27.276318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.276318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.276318 (E_RNA) where: Base-Base interactions energy: -6.740 where: short stacking energy: -6.740 Base-Backbone interact. energy: -0.012 local terms energy: -20.523745 where: bonds (distance) C4'-P energy: -4.538 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -5.629 flat angles P-C4'-P energy: -4.185 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: 1, replica: 5 ===================================== Write number: 423 Temperature: 0.900000 Total energy: -37.110233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.110233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.110233 (E_RNA) where: Base-Base interactions energy: -13.435 where: short stacking energy: -13.435 Base-Backbone interact. energy: -0.001 local terms energy: -23.674038 where: bonds (distance) C4'-P energy: -4.120 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -5.766 flat angles P-C4'-P energy: -4.037 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: 2, replica: 4 ===================================== Write number: 423 Temperature: 0.950000 Total energy: -33.160425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.160425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.160425 (E_RNA) where: Base-Base interactions energy: -10.842 where: short stacking energy: -10.842 Base-Backbone interact. energy: -0.000 local terms energy: -22.318853 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -4.998 flat angles C4'-P-C4' energy: -5.343 flat angles P-C4'-P energy: -3.471 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: 3, replica: 8 ===================================== Write number: 423 Temperature: 1.000000 Total energy: -35.065693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.065693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.065693 (E_RNA) where: Base-Base interactions energy: -11.138 where: short stacking energy: -11.138 Base-Backbone interact. energy: -0.112 local terms energy: -23.816001 where: bonds (distance) C4'-P energy: -3.946 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.897 flat angles P-C4'-P energy: -4.531 tors. eta vs tors. theta energy: -4.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 423 Temperature: 1.050000 Total energy: -32.225250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.225250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.225250 (E_RNA) where: Base-Base interactions energy: -11.643 where: short stacking energy: -11.643 Base-Backbone interact. energy: -0.000 local terms energy: -20.582541 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -5.764 flat angles P-C4'-P energy: -2.153 tors. eta vs tors. theta energy: -1.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 423 Temperature: 1.100000 Total energy: -28.696532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.696532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.696532 (E_RNA) where: Base-Base interactions energy: -10.775 where: short stacking energy: -10.775 Base-Backbone interact. energy: -0.032 local terms energy: -17.889459 where: bonds (distance) C4'-P energy: -4.547 bonds (distance) P-C4' energy: -4.642 flat angles C4'-P-C4' energy: -4.516 flat angles P-C4'-P energy: -3.542 tors. eta vs tors. theta energy: -0.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 423 Temperature: 1.150000 Total energy: -25.227911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.227911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.227911 (E_RNA) where: Base-Base interactions energy: -6.452 where: short stacking energy: -6.452 Base-Backbone interact. energy: -0.103 local terms energy: -18.672923 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -4.666 flat angles P-C4'-P energy: -3.098 tors. eta vs tors. theta energy: -0.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 423 Temperature: 1.200000 Total energy: -24.634400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.634400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.634400 (E_RNA) where: Base-Base interactions energy: -4.029 where: short stacking energy: -4.029 Base-Backbone interact. energy: -0.097 local terms energy: -20.508968 where: bonds (distance) C4'-P energy: -4.787 bonds (distance) P-C4' energy: -6.020 flat angles C4'-P-C4' energy: -4.125 flat angles P-C4'-P energy: -2.507 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: 8, replica: 7 ===================================== Write number: 423 Temperature: 1.250000 Total energy: -23.581475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.581475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.581475 (E_RNA) where: Base-Base interactions energy: -6.101 where: short stacking energy: -6.101 Base-Backbone interact. energy: -0.000 local terms energy: -17.480208 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.298 flat angles C4'-P-C4' energy: -3.108 flat angles P-C4'-P energy: -3.416 tors. eta vs tors. theta energy: -0.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 423 Temperature: 1.300000 Total energy: -28.238650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.238650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.238650 (E_RNA) where: Base-Base interactions energy: -7.698 where: short stacking energy: -7.698 Base-Backbone interact. energy: -0.003 local terms energy: -20.538323 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -5.286 flat angles C4'-P-C4' energy: -4.490 flat angles P-C4'-P energy: -2.570 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: 10, replica: 3 ===================================== Write number: 423 Temperature: 1.350000 Total energy: -22.232610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.232610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.232610 (E_RNA) where: Base-Base interactions energy: -3.136 where: short stacking energy: -3.136 Base-Backbone interact. energy: -0.030 local terms energy: -19.066500 where: bonds (distance) C4'-P energy: -4.778 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -5.002 flat angles P-C4'-P energy: -2.641 tors. eta vs tors. theta energy: -1.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 424 Temperature: 0.900000 Total energy: -31.454130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.454130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.454130 (E_RNA) where: Base-Base interactions energy: -11.049 where: short stacking energy: -11.049 Base-Backbone interact. energy: -0.002 local terms energy: -20.403430 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -3.838 flat angles P-C4'-P energy: -3.944 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: 2, replica: 5 ===================================== Write number: 424 Temperature: 0.950000 Total energy: -34.349126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.349126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.349126 (E_RNA) where: Base-Base interactions energy: -11.928 where: short stacking energy: -11.928 Base-Backbone interact. energy: -0.000 local terms energy: -22.421497 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -5.333 flat angles C4'-P-C4' energy: -4.072 flat angles P-C4'-P energy: -3.644 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: 8 ===================================== Write number: 424 Temperature: 1.000000 Total energy: -28.312553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.312553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.312553 (E_RNA) where: Base-Base interactions energy: -10.109 where: short stacking energy: -10.109 Base-Backbone interact. energy: -0.187 local terms energy: -18.016675 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -3.512 flat angles P-C4'-P energy: -2.773 tors. eta vs tors. theta energy: -1.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 424 Temperature: 1.050000 Total energy: -29.821447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.821447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.821447 (E_RNA) where: Base-Base interactions energy: -10.017 where: short stacking energy: -10.017 Base-Backbone interact. energy: -0.001 local terms energy: -19.803601 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -4.452 flat angles C4'-P-C4' energy: -3.967 flat angles P-C4'-P energy: -2.888 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: 5, replica: 9 ===================================== Write number: 424 Temperature: 1.100000 Total energy: -28.777209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.777209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.777209 (E_RNA) where: Base-Base interactions energy: -7.911 where: short stacking energy: -7.911 Base-Backbone interact. energy: -0.000 local terms energy: -20.865890 where: bonds (distance) C4'-P energy: -4.911 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -5.062 flat angles P-C4'-P energy: -2.691 tors. eta vs tors. theta energy: -2.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 424 Temperature: 1.150000 Total energy: -33.133165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.133165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.133165 (E_RNA) where: Base-Base interactions energy: -11.880 where: short stacking energy: -11.880 Base-Backbone interact. energy: -0.087 local terms energy: -21.167041 where: bonds (distance) C4'-P energy: -4.547 bonds (distance) P-C4' energy: -5.065 flat angles C4'-P-C4' energy: -5.358 flat angles P-C4'-P energy: -3.795 tors. eta vs tors. theta energy: -2.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 424 Temperature: 1.200000 Total energy: -29.022837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.022837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.022837 (E_RNA) where: Base-Base interactions energy: -7.939 where: short stacking energy: -7.939 Base-Backbone interact. energy: -0.002 local terms energy: -21.081409 where: bonds (distance) C4'-P energy: -4.493 bonds (distance) P-C4' energy: -4.875 flat angles C4'-P-C4' energy: -5.554 flat angles P-C4'-P energy: -3.554 tors. eta vs tors. theta energy: -2.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 424 Temperature: 1.250000 Total energy: -31.830459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.830459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.830459 (E_RNA) where: Base-Base interactions energy: -13.569 where: short stacking energy: -13.569 Base-Backbone interact. energy: -0.001 local terms energy: -18.261093 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -3.317 flat angles C4'-P-C4' energy: -3.814 flat angles P-C4'-P energy: -1.015 tors. eta vs tors. theta energy: -4.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 424 Temperature: 1.300000 Total energy: -28.350527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.350527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.350527 (E_RNA) where: Base-Base interactions energy: -6.964 where: short stacking energy: -6.964 Base-Backbone interact. energy: -0.000 local terms energy: -21.386177 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -5.233 flat angles C4'-P-C4' energy: -5.449 flat angles P-C4'-P energy: -2.465 tors. eta vs tors. theta energy: -3.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 424 Temperature: 1.350000 Total energy: -25.251537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.251537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.251537 (E_RNA) where: Base-Base interactions energy: -9.028 where: short stacking energy: -9.028 Base-Backbone interact. energy: -0.092 local terms energy: -16.131434 where: bonds (distance) C4'-P energy: -4.132 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -4.386 flat angles P-C4'-P energy: -1.170 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: 4 ===================================== Write number: 425 Temperature: 0.900000 Total energy: -39.262411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.262411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.262411 (E_RNA) where: Base-Base interactions energy: -15.372 where: short stacking energy: -15.372 Base-Backbone interact. energy: -0.000 local terms energy: -23.890463 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -4.765 flat angles C4'-P-C4' energy: -5.094 flat angles P-C4'-P energy: -4.056 tors. eta vs tors. theta energy: -4.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 425 Temperature: 0.950000 Total energy: -31.419453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.419453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.419453 (E_RNA) where: Base-Base interactions energy: -10.231 where: short stacking energy: -10.231 Base-Backbone interact. energy: -0.004 local terms energy: -21.184041 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -5.128 flat angles P-C4'-P energy: -3.045 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: 5 ===================================== Write number: 425 Temperature: 1.000000 Total energy: -34.246273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.246273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.246273 (E_RNA) where: Base-Base interactions energy: -13.681 where: short stacking energy: -13.681 Base-Backbone interact. energy: -0.000 local terms energy: -20.564944 where: bonds (distance) C4'-P energy: -4.253 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -4.831 flat angles P-C4'-P energy: -3.226 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: 9 ===================================== Write number: 425 Temperature: 1.050000 Total energy: -28.934847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.934847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.934847 (E_RNA) where: Base-Base interactions energy: -7.963 where: short stacking energy: -7.963 Base-Backbone interact. energy: -0.000 local terms energy: -20.971998 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -5.566 flat angles C4'-P-C4' energy: -4.928 flat angles P-C4'-P energy: -3.232 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: 5, replica: 1 ===================================== Write number: 425 Temperature: 1.100000 Total energy: -29.378320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.378320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.378320 (E_RNA) where: Base-Base interactions energy: -11.600 where: short stacking energy: -11.600 Base-Backbone interact. energy: -0.000 local terms energy: -17.778358 where: bonds (distance) C4'-P energy: -5.126 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.434 flat angles P-C4'-P energy: -1.387 tors. eta vs tors. theta energy: -0.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 425 Temperature: 1.150000 Total energy: -31.562255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.562255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.562255 (E_RNA) where: Base-Base interactions energy: -11.261 where: short stacking energy: -11.261 Base-Backbone interact. energy: -0.091 local terms energy: -20.210393 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -4.212 flat angles C4'-P-C4' energy: -4.100 flat angles P-C4'-P energy: -4.474 tors. eta vs tors. theta energy: -2.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 425 Temperature: 1.200000 Total energy: -30.198766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.198766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.198766 (E_RNA) where: Base-Base interactions energy: -11.780 where: short stacking energy: -11.780 Base-Backbone interact. energy: -0.000 local terms energy: -18.418208 where: bonds (distance) C4'-P energy: -3.065 bonds (distance) P-C4' energy: -4.519 flat angles C4'-P-C4' energy: -4.971 flat angles P-C4'-P energy: -1.935 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: 8, replica: 3 ===================================== Write number: 425 Temperature: 1.250000 Total energy: -26.469411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.469411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.469411 (E_RNA) where: Base-Base interactions energy: -6.130 where: short stacking energy: -6.130 Base-Backbone interact. energy: -0.029 local terms energy: -20.310475 where: bonds (distance) C4'-P energy: -4.537 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -3.890 flat angles P-C4'-P energy: -3.307 tors. eta vs tors. theta energy: -2.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 425 Temperature: 1.300000 Total energy: -29.195556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.195556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.195556 (E_RNA) where: Base-Base interactions energy: -12.649 where: short stacking energy: -12.649 Base-Backbone interact. energy: -0.002 local terms energy: -16.544318 where: bonds (distance) C4'-P energy: -3.200 bonds (distance) P-C4' energy: -4.199 flat angles C4'-P-C4' energy: -4.794 flat angles P-C4'-P energy: -3.729 tors. eta vs tors. theta energy: -0.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 425 Temperature: 1.350000 Total energy: -24.650662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.650662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.650662 (E_RNA) where: Base-Base interactions energy: -5.953 where: short stacking energy: -5.953 Base-Backbone interact. energy: -0.000 local terms energy: -18.697601 where: bonds (distance) C4'-P energy: -4.439 bonds (distance) P-C4' energy: -5.569 flat angles C4'-P-C4' energy: -4.219 flat angles P-C4'-P energy: -2.311 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: 1, replica: 8 ===================================== Write number: 426 Temperature: 0.900000 Total energy: -34.310135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.310135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.310135 (E_RNA) where: Base-Base interactions energy: -12.204 where: short stacking energy: -12.204 Base-Backbone interact. energy: -0.000 local terms energy: -22.106167 where: bonds (distance) C4'-P energy: -4.049 bonds (distance) P-C4' energy: -5.298 flat angles C4'-P-C4' energy: -4.600 flat angles P-C4'-P energy: -2.794 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: 4 ===================================== Write number: 426 Temperature: 0.950000 Total energy: -37.306334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.306334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.306334 (E_RNA) where: Base-Base interactions energy: -14.449 where: short stacking energy: -14.449 Base-Backbone interact. energy: -0.000 local terms energy: -22.857547 where: bonds (distance) C4'-P energy: -3.072 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.235 flat angles P-C4'-P energy: -3.858 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: 9 ===================================== Write number: 426 Temperature: 1.000000 Total energy: -32.940659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.940659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.940659 (E_RNA) where: Base-Base interactions energy: -13.250 where: short stacking energy: -13.250 Base-Backbone interact. energy: -0.000 local terms energy: -19.690877 where: bonds (distance) C4'-P energy: -3.127 bonds (distance) P-C4' energy: -4.998 flat angles C4'-P-C4' energy: -4.922 flat angles P-C4'-P energy: -4.008 tors. eta vs tors. theta energy: -2.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 426 Temperature: 1.050000 Total energy: -29.135715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.135715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.135715 (E_RNA) where: Base-Base interactions energy: -7.807 where: short stacking energy: -7.807 Base-Backbone interact. energy: -0.000 local terms energy: -21.328487 where: bonds (distance) C4'-P energy: -4.219 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.033 flat angles P-C4'-P energy: -4.421 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: 5, replica: 10 ===================================== Write number: 426 Temperature: 1.100000 Total energy: -38.071383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.071383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.071383 (E_RNA) where: Base-Base interactions energy: -15.101 where: short stacking energy: -15.101 Base-Backbone interact. energy: -0.000 local terms energy: -22.969936 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -4.706 flat angles C4'-P-C4' energy: -4.814 flat angles P-C4'-P energy: -2.353 tors. eta vs tors. theta energy: -6.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 426 Temperature: 1.150000 Total energy: -27.493773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.493773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.493773 (E_RNA) where: Base-Base interactions energy: -5.058 where: short stacking energy: -5.058 Base-Backbone interact. energy: -0.002 local terms energy: -22.434303 where: bonds (distance) C4'-P energy: -4.493 bonds (distance) P-C4' energy: -5.467 flat angles C4'-P-C4' energy: -4.458 flat angles P-C4'-P energy: -4.568 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: 7, replica: 3 ===================================== Write number: 426 Temperature: 1.200000 Total energy: -27.249777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.249777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.249777 (E_RNA) where: Base-Base interactions energy: -9.408 where: short stacking energy: -9.408 Base-Backbone interact. energy: -0.010 local terms energy: -17.831273 where: bonds (distance) C4'-P energy: -4.501 bonds (distance) P-C4' energy: -4.212 flat angles C4'-P-C4' energy: -3.636 flat angles P-C4'-P energy: -2.889 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: 8, replica: 7 ===================================== Write number: 426 Temperature: 1.250000 Total energy: -27.435735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.435735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.435735 (E_RNA) where: Base-Base interactions energy: -11.757 where: short stacking energy: -11.757 Base-Backbone interact. energy: -0.007 local terms energy: -15.671219 where: bonds (distance) C4'-P energy: -4.025 bonds (distance) P-C4' energy: -3.765 flat angles C4'-P-C4' energy: -2.868 flat angles P-C4'-P energy: -3.907 tors. eta vs tors. theta energy: -1.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 426 Temperature: 1.300000 Total energy: -28.721910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.721910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.721910 (E_RNA) where: Base-Base interactions energy: -8.535 where: short stacking energy: -8.535 Base-Backbone interact. energy: -0.124 local terms energy: -20.062895 where: bonds (distance) C4'-P energy: -2.849 bonds (distance) P-C4' energy: -5.540 flat angles C4'-P-C4' energy: -4.571 flat angles P-C4'-P energy: -4.628 tors. eta vs tors. theta energy: -2.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 426 Temperature: 1.350000 Total energy: -23.403482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.403482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.403482 (E_RNA) where: Base-Base interactions energy: -5.774 where: short stacking energy: -5.774 Base-Backbone interact. energy: -0.000 local terms energy: -17.629035 where: bonds (distance) C4'-P energy: -3.668 bonds (distance) P-C4' energy: -4.224 flat angles C4'-P-C4' energy: -3.155 flat angles P-C4'-P energy: -2.129 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: 1, replica: 8 ===================================== Write number: 427 Temperature: 0.900000 Total energy: -35.178096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.178096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.178096 (E_RNA) where: Base-Base interactions energy: -11.954 where: short stacking energy: -11.954 Base-Backbone interact. energy: -0.000 local terms energy: -23.223956 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.647 flat angles P-C4'-P energy: -4.166 tors. eta vs tors. theta energy: -3.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 427 Temperature: 0.950000 Total energy: -35.021967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.021967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.021967 (E_RNA) where: Base-Base interactions energy: -14.663 where: short stacking energy: -14.663 Base-Backbone interact. energy: -0.007 local terms energy: -20.351886 where: bonds (distance) C4'-P energy: -4.111 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.162 flat angles P-C4'-P energy: -2.958 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: 4 ===================================== Write number: 427 Temperature: 1.000000 Total energy: -36.114738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.114738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.114738 (E_RNA) where: Base-Base interactions energy: -16.311 where: short stacking energy: -16.311 Base-Backbone interact. energy: -0.096 local terms energy: -19.708140 where: bonds (distance) C4'-P energy: -3.536 bonds (distance) P-C4' energy: -3.991 flat angles C4'-P-C4' energy: -4.742 flat angles P-C4'-P energy: -4.141 tors. eta vs tors. theta energy: -3.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 427 Temperature: 1.050000 Total energy: -27.772356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.772356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.772356 (E_RNA) where: Base-Base interactions energy: -11.104 where: short stacking energy: -11.104 Base-Backbone interact. energy: -0.012 local terms energy: -16.656139 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -2.704 flat angles P-C4'-P energy: -1.210 tors. eta vs tors. theta energy: -2.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 427 Temperature: 1.100000 Total energy: -29.001935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.001935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.001935 (E_RNA) where: Base-Base interactions energy: -9.801 where: short stacking energy: -9.801 Base-Backbone interact. energy: -0.005 local terms energy: -19.195431 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -4.835 flat angles C4'-P-C4' energy: -5.147 flat angles P-C4'-P energy: -2.112 tors. eta vs tors. theta energy: -1.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 427 Temperature: 1.150000 Total energy: -32.660051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.660051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.660051 (E_RNA) where: Base-Base interactions energy: -12.958 where: short stacking energy: -12.958 Base-Backbone interact. energy: -0.004 local terms energy: -19.697971 where: bonds (distance) C4'-P energy: -3.892 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -3.336 flat angles P-C4'-P energy: -1.662 tors. eta vs tors. theta energy: -4.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 427 Temperature: 1.200000 Total energy: -29.192816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.192816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.192816 (E_RNA) where: Base-Base interactions energy: -6.148 where: short stacking energy: -6.148 Base-Backbone interact. energy: -0.102 local terms energy: -22.943242 where: bonds (distance) C4'-P energy: -4.240 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -5.048 flat angles P-C4'-P energy: -4.335 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: 8, replica: 2 ===================================== Write number: 427 Temperature: 1.250000 Total energy: -29.353292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.353292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.353292 (E_RNA) where: Base-Base interactions energy: -7.531 where: short stacking energy: -7.531 Base-Backbone interact. energy: -0.000 local terms energy: -21.822345 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -5.176 flat angles P-C4'-P energy: -3.646 tors. eta vs tors. theta energy: -2.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 427 Temperature: 1.300000 Total energy: -22.546525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.546525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.546525 (E_RNA) where: Base-Base interactions energy: -3.810 where: short stacking energy: -3.810 Base-Backbone interact. energy: -0.127 local terms energy: -18.609634 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.566 flat angles C4'-P-C4' energy: -4.321 flat angles P-C4'-P energy: -3.355 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: 10, replica: 6 ===================================== Write number: 427 Temperature: 1.350000 Total energy: -27.371485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.371485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.371485 (E_RNA) where: Base-Base interactions energy: -6.842 where: short stacking energy: -6.842 Base-Backbone interact. energy: -0.815 local terms energy: -19.714268 where: bonds (distance) C4'-P energy: -3.747 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -4.837 flat angles P-C4'-P energy: -3.306 tors. eta vs tors. theta energy: -1.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 428 Temperature: 0.900000 Total energy: -32.774532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.774532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.774532 (E_RNA) where: Base-Base interactions energy: -10.951 where: short stacking energy: -9.843 Base-Backbone interact. energy: -0.055 local terms energy: -21.767661 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -4.629 flat angles P-C4'-P energy: -4.549 tors. eta vs tors. theta energy: -1.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 428 Temperature: 0.950000 Total energy: -33.007599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.007599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.007599 (E_RNA) where: Base-Base interactions energy: -12.517 where: short stacking energy: -12.517 Base-Backbone interact. energy: -0.013 local terms energy: -20.477785 where: bonds (distance) C4'-P energy: -4.725 bonds (distance) P-C4' energy: -5.516 flat angles C4'-P-C4' energy: -4.611 flat angles P-C4'-P energy: -4.044 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: 3, replica: 5 ===================================== Write number: 428 Temperature: 1.000000 Total energy: -31.554938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.554938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.554938 (E_RNA) where: Base-Base interactions energy: -10.643 where: short stacking energy: -10.643 Base-Backbone interact. energy: -0.650 local terms energy: -20.261557 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.494 flat angles C4'-P-C4' energy: -4.528 flat angles P-C4'-P energy: -2.423 tors. eta vs tors. theta energy: -2.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 428 Temperature: 1.050000 Total energy: -27.838631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.838631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.838631 (E_RNA) where: Base-Base interactions energy: -10.113 where: short stacking energy: -10.113 Base-Backbone interact. energy: -0.000 local terms energy: -17.724971 where: bonds (distance) C4'-P energy: -3.830 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.641 flat angles P-C4'-P energy: -3.231 tors. eta vs tors. theta energy: 0.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 428 Temperature: 1.100000 Total energy: -26.563686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.563686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.563686 (E_RNA) where: Base-Base interactions energy: -9.402 where: short stacking energy: -9.402 Base-Backbone interact. energy: -0.113 local terms energy: -17.049492 where: bonds (distance) C4'-P energy: -1.685 bonds (distance) P-C4' energy: -5.072 flat angles C4'-P-C4' energy: -4.635 flat angles P-C4'-P energy: -3.305 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: 10 ===================================== Write number: 428 Temperature: 1.150000 Total energy: -24.980501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.980501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.980501 (E_RNA) where: Base-Base interactions energy: -7.632 where: short stacking energy: -7.632 Base-Backbone interact. energy: -0.047 local terms energy: -17.301548 where: bonds (distance) C4'-P energy: -4.865 bonds (distance) P-C4' energy: -5.333 flat angles C4'-P-C4' energy: -4.852 flat angles P-C4'-P energy: -2.721 tors. eta vs tors. theta energy: 0.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 428 Temperature: 1.200000 Total energy: -25.269057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.269057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.269057 (E_RNA) where: Base-Base interactions energy: -5.568 where: short stacking energy: -5.568 Base-Backbone interact. energy: -0.001 local terms energy: -19.699908 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -5.311 flat angles C4'-P-C4' energy: -4.782 flat angles P-C4'-P energy: -3.507 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: 1 ===================================== Write number: 428 Temperature: 1.250000 Total energy: -24.948139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.948139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.948139 (E_RNA) where: Base-Base interactions energy: -7.341 where: short stacking energy: -7.341 Base-Backbone interact. energy: -0.001 local terms energy: -17.606216 where: bonds (distance) C4'-P energy: -3.615 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -5.175 flat angles P-C4'-P energy: -1.772 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: 9, replica: 6 ===================================== Write number: 428 Temperature: 1.300000 Total energy: -26.379984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.379984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.379984 (E_RNA) where: Base-Base interactions energy: -8.409 where: short stacking energy: -8.409 Base-Backbone interact. energy: -0.001 local terms energy: -17.969708 where: bonds (distance) C4'-P energy: -4.227 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -4.711 flat angles P-C4'-P energy: -1.335 tors. eta vs tors. theta energy: -2.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 428 Temperature: 1.350000 Total energy: -26.213887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.213887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.213887 (E_RNA) where: Base-Base interactions energy: -6.201 where: short stacking energy: -7.562 Base-Backbone interact. energy: -0.108 local terms energy: -19.904640 where: bonds (distance) C4'-P energy: -4.423 bonds (distance) P-C4' energy: -5.491 flat angles C4'-P-C4' energy: -4.528 flat angles P-C4'-P energy: -3.659 tors. eta vs tors. theta energy: -1.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 429 Temperature: 0.900000 Total energy: -37.124415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.124415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.124415 (E_RNA) where: Base-Base interactions energy: -15.392 where: short stacking energy: -15.392 Base-Backbone interact. energy: -0.000 local terms energy: -21.732852 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.301 flat angles P-C4'-P energy: -4.331 tors. eta vs tors. theta energy: -1.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 429 Temperature: 0.950000 Total energy: -32.976790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.976790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.976790 (E_RNA) where: Base-Base interactions energy: -12.975 where: short stacking energy: -12.975 Base-Backbone interact. energy: -0.000 local terms energy: -20.001975 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -4.811 flat angles C4'-P-C4' energy: -4.165 flat angles P-C4'-P energy: -3.758 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: 3, replica: 8 ===================================== Write number: 429 Temperature: 1.000000 Total energy: -31.882067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.882067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.882067 (E_RNA) where: Base-Base interactions energy: -9.132 where: short stacking energy: -9.132 Base-Backbone interact. energy: -0.000 local terms energy: -22.750148 where: bonds (distance) C4'-P energy: -4.033 bonds (distance) P-C4' energy: -5.737 flat angles C4'-P-C4' energy: -5.185 flat angles P-C4'-P energy: -3.674 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: 4, replica: 3 ===================================== Write number: 429 Temperature: 1.050000 Total energy: -32.527209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.527209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.527209 (E_RNA) where: Base-Base interactions energy: -8.791 where: short stacking energy: -8.791 Base-Backbone interact. energy: -0.000 local terms energy: -23.736142 where: bonds (distance) C4'-P energy: -5.275 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -5.358 flat angles P-C4'-P energy: -3.880 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: 5, replica: 4 ===================================== Write number: 429 Temperature: 1.100000 Total energy: -28.423410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.423410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.423410 (E_RNA) where: Base-Base interactions energy: -7.929 where: short stacking energy: -7.929 Base-Backbone interact. energy: -0.000 local terms energy: -20.493789 where: bonds (distance) C4'-P energy: -5.089 bonds (distance) P-C4' energy: -4.646 flat angles C4'-P-C4' energy: -5.838 flat angles P-C4'-P energy: -3.714 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: 6, replica: 2 ===================================== Write number: 429 Temperature: 1.150000 Total energy: -27.807009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.807009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.807009 (E_RNA) where: Base-Base interactions energy: -8.376 where: short stacking energy: -8.376 Base-Backbone interact. energy: -0.060 local terms energy: -19.371008 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -4.499 flat angles P-C4'-P energy: -3.756 tors. eta vs tors. theta energy: -0.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 429 Temperature: 1.200000 Total energy: -29.798965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.798965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.798965 (E_RNA) where: Base-Base interactions energy: -10.725 where: short stacking energy: -10.725 Base-Backbone interact. energy: -0.000 local terms energy: -19.074428 where: bonds (distance) C4'-P energy: -4.015 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.440 flat angles P-C4'-P energy: -1.228 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: 8, replica: 6 ===================================== Write number: 429 Temperature: 1.250000 Total energy: -28.972734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.972734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.972734 (E_RNA) where: Base-Base interactions energy: -9.879 where: short stacking energy: -9.879 Base-Backbone interact. energy: -0.037 local terms energy: -19.056971 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.645 flat angles P-C4'-P energy: -3.691 tors. eta vs tors. theta energy: -0.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 429 Temperature: 1.300000 Total energy: -26.580948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.580948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.580948 (E_RNA) where: Base-Base interactions energy: -6.563 where: short stacking energy: -6.563 Base-Backbone interact. energy: -0.037 local terms energy: -19.980788 where: bonds (distance) C4'-P energy: -4.253 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -3.973 flat angles P-C4'-P energy: -3.708 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: 10, replica: 7 ===================================== Write number: 429 Temperature: 1.350000 Total energy: -28.265831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.265831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.265831 (E_RNA) where: Base-Base interactions energy: -6.647 where: short stacking energy: -6.647 Base-Backbone interact. energy: -0.001 local terms energy: -21.617702 where: bonds (distance) C4'-P energy: -4.865 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -3.850 flat angles P-C4'-P energy: -3.790 tors. eta vs tors. theta energy: -3.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 430 Temperature: 0.900000 Total energy: -34.795388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.795388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.795388 (E_RNA) where: Base-Base interactions energy: -12.445 where: short stacking energy: -12.445 Base-Backbone interact. energy: -0.000 local terms energy: -22.349892 where: bonds (distance) C4'-P energy: -4.600 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.456 flat angles P-C4'-P energy: -3.799 tors. eta vs tors. theta energy: -3.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 430 Temperature: 0.950000 Total energy: -31.453782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.453782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.453782 (E_RNA) where: Base-Base interactions energy: -10.113 where: short stacking energy: -10.113 Base-Backbone interact. energy: -0.005 local terms energy: -21.336375 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -5.080 flat angles P-C4'-P energy: -4.110 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: 3, replica: 3 ===================================== Write number: 430 Temperature: 1.000000 Total energy: -31.988660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.988660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.988660 (E_RNA) where: Base-Base interactions energy: -11.398 where: short stacking energy: -11.398 Base-Backbone interact. energy: -0.000 local terms energy: -20.590499 where: bonds (distance) C4'-P energy: -4.645 bonds (distance) P-C4' energy: -5.209 flat angles C4'-P-C4' energy: -5.330 flat angles P-C4'-P energy: -3.027 tors. eta vs tors. theta energy: -2.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 430 Temperature: 1.050000 Total energy: -27.674525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.674525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.674525 (E_RNA) where: Base-Base interactions energy: -11.767 where: short stacking energy: -11.767 Base-Backbone interact. energy: -0.002 local terms energy: -15.905980 where: bonds (distance) C4'-P energy: -4.529 bonds (distance) P-C4' energy: -4.614 flat angles C4'-P-C4' energy: -3.953 flat angles P-C4'-P energy: -2.503 tors. eta vs tors. theta energy: -0.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 430 Temperature: 1.100000 Total energy: -28.889419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.889419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.889419 (E_RNA) where: Base-Base interactions energy: -12.983 where: short stacking energy: -12.983 Base-Backbone interact. energy: -0.000 local terms energy: -15.906092 where: bonds (distance) C4'-P energy: -2.775 bonds (distance) P-C4' energy: -4.939 flat angles C4'-P-C4' energy: -3.495 flat angles P-C4'-P energy: -3.551 tors. eta vs tors. theta energy: -1.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 430 Temperature: 1.150000 Total energy: -25.650036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.650036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.650036 (E_RNA) where: Base-Base interactions energy: -6.351 where: short stacking energy: -6.351 Base-Backbone interact. energy: -0.000 local terms energy: -19.299170 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -4.807 flat angles C4'-P-C4' energy: -5.238 flat angles P-C4'-P energy: -2.306 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: 7, replica: 6 ===================================== Write number: 430 Temperature: 1.200000 Total energy: -30.699014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.699014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.699014 (E_RNA) where: Base-Base interactions energy: -8.868 where: short stacking energy: -8.868 Base-Backbone interact. energy: -0.000 local terms energy: -21.830660 where: bonds (distance) C4'-P energy: -4.679 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -5.141 flat angles P-C4'-P energy: -2.671 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: 8, replica: 10 ===================================== Write number: 430 Temperature: 1.250000 Total energy: -26.410302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.410302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.410302 (E_RNA) where: Base-Base interactions energy: -7.195 where: short stacking energy: -7.195 Base-Backbone interact. energy: -0.058 local terms energy: -19.156871 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -4.114 flat angles P-C4'-P energy: -1.196 tors. eta vs tors. theta energy: -2.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 430 Temperature: 1.300000 Total energy: -27.466663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.466663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.466663 (E_RNA) where: Base-Base interactions energy: -11.060 where: short stacking energy: -11.060 Base-Backbone interact. energy: -0.000 local terms energy: -16.406180 where: bonds (distance) C4'-P energy: -3.640 bonds (distance) P-C4' energy: -5.208 flat angles C4'-P-C4' energy: -2.693 flat angles P-C4'-P energy: -3.257 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: 10, replica: 1 ===================================== Write number: 430 Temperature: 1.350000 Total energy: -27.432804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.432804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.432804 (E_RNA) where: Base-Base interactions energy: -8.630 where: short stacking energy: -8.630 Base-Backbone interact. energy: -0.000 local terms energy: -18.802202 where: bonds (distance) C4'-P energy: -3.995 bonds (distance) P-C4' energy: -2.378 flat angles C4'-P-C4' energy: -5.673 flat angles P-C4'-P energy: -3.772 tors. eta vs tors. theta energy: -2.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 431 Temperature: 0.900000 Total energy: -36.642611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.642611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.642611 (E_RNA) where: Base-Base interactions energy: -13.317 where: short stacking energy: -13.317 Base-Backbone interact. energy: -0.000 local terms energy: -23.325160 where: bonds (distance) C4'-P energy: -4.529 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -5.712 flat angles P-C4'-P energy: -4.007 tors. eta vs tors. theta energy: -3.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 431 Temperature: 0.950000 Total energy: -40.369556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.369556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.369556 (E_RNA) where: Base-Base interactions energy: -14.560 where: short stacking energy: -14.560 Base-Backbone interact. energy: -0.000 local terms energy: -25.809903 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.783 flat angles C4'-P-C4' energy: -5.460 flat angles P-C4'-P energy: -3.115 tors. eta vs tors. theta energy: -6.487 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: 3, replica: 9 ===================================== Write number: 431 Temperature: 1.000000 Total energy: -33.169741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.169741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.169741 (E_RNA) where: Base-Base interactions energy: -9.005 where: short stacking energy: -9.005 Base-Backbone interact. energy: -0.000 local terms energy: -24.164988 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -5.313 flat angles P-C4'-P energy: -4.513 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: 4, replica: 4 ===================================== Write number: 431 Temperature: 1.050000 Total energy: -33.374298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.374298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.374298 (E_RNA) where: Base-Base interactions energy: -15.363 where: short stacking energy: -15.363 Base-Backbone interact. energy: -0.087 local terms energy: -17.924451 where: bonds (distance) C4'-P energy: -2.576 bonds (distance) P-C4' energy: -4.093 flat angles C4'-P-C4' energy: -4.765 flat angles P-C4'-P energy: -2.216 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: 5, replica: 8 ===================================== Write number: 431 Temperature: 1.100000 Total energy: -32.087470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.087470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.087470 (E_RNA) where: Base-Base interactions energy: -12.436 where: short stacking energy: -12.436 Base-Backbone interact. energy: -0.000 local terms energy: -19.650947 where: bonds (distance) C4'-P energy: -3.871 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -3.517 flat angles P-C4'-P energy: -3.768 tors. eta vs tors. theta energy: -3.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 431 Temperature: 1.150000 Total energy: -28.601801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.601801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.601801 (E_RNA) where: Base-Base interactions energy: -8.985 where: short stacking energy: -8.985 Base-Backbone interact. energy: -0.000 local terms energy: -19.616808 where: bonds (distance) C4'-P energy: -4.778 bonds (distance) P-C4' energy: -4.935 flat angles C4'-P-C4' energy: -4.914 flat angles P-C4'-P energy: -1.735 tors. eta vs tors. theta energy: -3.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 431 Temperature: 1.200000 Total energy: -27.653182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.653182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.653182 (E_RNA) where: Base-Base interactions energy: -11.981 where: short stacking energy: -11.981 Base-Backbone interact. energy: -0.000 local terms energy: -15.672027 where: bonds (distance) C4'-P energy: -5.159 bonds (distance) P-C4' energy: -3.768 flat angles C4'-P-C4' energy: -4.641 flat angles P-C4'-P energy: -1.024 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: 8, replica: 7 ===================================== Write number: 431 Temperature: 1.250000 Total energy: -27.136200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.136200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.136200 (E_RNA) where: Base-Base interactions energy: -6.333 where: short stacking energy: -6.333 Base-Backbone interact. energy: -0.098 local terms energy: -20.705380 where: bonds (distance) C4'-P energy: -4.227 bonds (distance) P-C4' energy: -5.498 flat angles C4'-P-C4' energy: -4.726 flat angles P-C4'-P energy: -4.704 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: 10 ===================================== Write number: 431 Temperature: 1.300000 Total energy: -23.726944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.726944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.726944 (E_RNA) where: Base-Base interactions energy: -6.003 where: short stacking energy: -6.003 Base-Backbone interact. energy: -0.014 local terms energy: -17.709744 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -1.640 flat angles P-C4'-P energy: -4.277 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: 1 ===================================== Write number: 431 Temperature: 1.350000 Total energy: -26.437371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.437371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.437371 (E_RNA) where: Base-Base interactions energy: -6.792 where: short stacking energy: -6.792 Base-Backbone interact. energy: -0.000 local terms energy: -19.645372 where: bonds (distance) C4'-P energy: -5.312 bonds (distance) P-C4' energy: -4.783 flat angles C4'-P-C4' energy: -3.748 flat angles P-C4'-P energy: -2.591 tors. eta vs tors. theta energy: -3.211 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: 1, replica: 3 ===================================== Write number: 432 Temperature: 0.900000 Total energy: -35.660292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.660292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.660292 (E_RNA) where: Base-Base interactions energy: -12.288 where: short stacking energy: -13.188 Base-Backbone interact. energy: -0.000 local terms energy: -23.372595 where: bonds (distance) C4'-P energy: -4.405 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -4.321 flat angles P-C4'-P energy: -2.794 tors. eta vs tors. theta energy: -6.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 432 Temperature: 0.950000 Total energy: -35.698123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.698123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.698123 (E_RNA) where: Base-Base interactions energy: -14.392 where: short stacking energy: -14.392 Base-Backbone interact. energy: -0.022 local terms energy: -21.284495 where: bonds (distance) C4'-P energy: -4.537 bonds (distance) P-C4' energy: -4.224 flat angles C4'-P-C4' energy: -4.033 flat angles P-C4'-P energy: -4.676 tors. eta vs tors. theta energy: -3.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 432 Temperature: 1.000000 Total energy: -38.075525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.075525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.075525 (E_RNA) where: Base-Base interactions energy: -14.717 where: short stacking energy: -14.717 Base-Backbone interact. energy: -0.000 local terms energy: -23.358329 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -4.747 flat angles P-C4'-P energy: -4.031 tors. eta vs tors. theta energy: -4.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 432 Temperature: 1.050000 Total energy: -29.015974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.015974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.015974 (E_RNA) where: Base-Base interactions energy: -10.860 where: short stacking energy: -10.860 Base-Backbone interact. energy: -0.002 local terms energy: -18.153848 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -6.020 flat angles C4'-P-C4' energy: -2.029 flat angles P-C4'-P energy: -2.240 tors. eta vs tors. theta energy: -2.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 432 Temperature: 1.100000 Total energy: -26.778393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.778393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.778393 (E_RNA) where: Base-Base interactions energy: -10.033 where: short stacking energy: -10.033 Base-Backbone interact. energy: -0.009 local terms energy: -16.736373 where: bonds (distance) C4'-P energy: -4.405 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.634 flat angles P-C4'-P energy: -1.097 tors. eta vs tors. theta energy: -0.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 432 Temperature: 1.150000 Total energy: -25.933363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.933363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.933363 (E_RNA) where: Base-Base interactions energy: -5.240 where: short stacking energy: -5.240 Base-Backbone interact. energy: -0.000 local terms energy: -20.693737 where: bonds (distance) C4'-P energy: -4.041 bonds (distance) P-C4' energy: -4.706 flat angles C4'-P-C4' energy: -4.920 flat angles P-C4'-P energy: -4.586 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: 7, replica: 7 ===================================== Write number: 432 Temperature: 1.200000 Total energy: -27.205015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.205015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.205015 (E_RNA) where: Base-Base interactions energy: -9.639 where: short stacking energy: -9.639 Base-Backbone interact. energy: -0.002 local terms energy: -17.564135 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.767 flat angles P-C4'-P energy: -0.663 tors. eta vs tors. theta energy: -1.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 432 Temperature: 1.250000 Total energy: -26.048383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.048383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.048383 (E_RNA) where: Base-Base interactions energy: -10.681 where: short stacking energy: -10.681 Base-Backbone interact. energy: -0.015 local terms energy: -15.351547 where: bonds (distance) C4'-P energy: -3.251 bonds (distance) P-C4' energy: -4.642 flat angles C4'-P-C4' energy: -3.328 flat angles P-C4'-P energy: -2.253 tors. eta vs tors. theta energy: -1.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 432 Temperature: 1.300000 Total energy: -22.411250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.411250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.411250 (E_RNA) where: Base-Base interactions energy: -7.118 where: short stacking energy: -7.118 Base-Backbone interact. energy: -0.005 local terms energy: -15.288026 where: bonds (distance) C4'-P energy: -3.109 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -3.254 flat angles P-C4'-P energy: -3.193 tors. eta vs tors. theta energy: 0.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 432 Temperature: 1.350000 Total energy: -24.558023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.558023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.558023 (E_RNA) where: Base-Base interactions energy: -4.191 where: short stacking energy: -4.191 Base-Backbone interact. energy: -0.027 local terms energy: -20.340001 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -4.476 flat angles C4'-P-C4' energy: -4.973 flat angles P-C4'-P energy: -4.408 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: 3 ===================================== Write number: 433 Temperature: 0.900000 Total energy: -39.283037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.283037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.283037 (E_RNA) where: Base-Base interactions energy: -16.104 where: short stacking energy: -16.104 Base-Backbone interact. energy: -0.000 local terms energy: -23.178466 where: bonds (distance) C4'-P energy: -4.041 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -3.992 flat angles P-C4'-P energy: -3.161 tors. eta vs tors. theta energy: -6.232 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: 4 ===================================== Write number: 433 Temperature: 0.950000 Total energy: -34.404765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.404765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.404765 (E_RNA) where: Base-Base interactions energy: -12.262 where: short stacking energy: -12.262 Base-Backbone interact. energy: -0.000 local terms energy: -22.142882 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -4.931 flat angles P-C4'-P energy: -3.891 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: 5 ===================================== Write number: 433 Temperature: 1.000000 Total energy: -30.294204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.294204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.294204 (E_RNA) where: Base-Base interactions energy: -8.993 where: short stacking energy: -8.993 Base-Backbone interact. energy: -0.008 local terms energy: -21.293194 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -5.047 flat angles C4'-P-C4' energy: -4.426 flat angles P-C4'-P energy: -4.570 tors. eta vs tors. theta energy: -2.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 433 Temperature: 1.050000 Total energy: -34.029337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.029337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.029337 (E_RNA) where: Base-Base interactions energy: -12.904 where: short stacking energy: -12.904 Base-Backbone interact. energy: -0.000 local terms energy: -21.125600 where: bonds (distance) C4'-P energy: -4.049 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.587 flat angles P-C4'-P energy: -3.047 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: 5, replica: 9 ===================================== Write number: 433 Temperature: 1.100000 Total energy: -29.757906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.757906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.757906 (E_RNA) where: Base-Base interactions energy: -9.705 where: short stacking energy: -9.705 Base-Backbone interact. energy: -0.096 local terms energy: -19.957218 where: bonds (distance) C4'-P energy: -5.283 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -3.876 flat angles P-C4'-P energy: -3.895 tors. eta vs tors. theta energy: -0.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 433 Temperature: 1.150000 Total energy: -29.581429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.581429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.581429 (E_RNA) where: Base-Base interactions energy: -12.207 where: short stacking energy: -12.207 Base-Backbone interact. energy: -0.000 local terms energy: -17.374764 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -1.301 flat angles P-C4'-P energy: -2.641 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: 7, replica: 8 ===================================== Write number: 433 Temperature: 1.200000 Total energy: -28.255729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.255729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.255729 (E_RNA) where: Base-Base interactions energy: -10.565 where: short stacking energy: -10.565 Base-Backbone interact. energy: -0.016 local terms energy: -17.674974 where: bonds (distance) C4'-P energy: -3.995 bonds (distance) P-C4' energy: -5.466 flat angles C4'-P-C4' energy: -4.149 flat angles P-C4'-P energy: -2.811 tors. eta vs tors. theta energy: -1.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 433 Temperature: 1.250000 Total energy: -25.241328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.241328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.241328 (E_RNA) where: Base-Base interactions energy: -7.579 where: short stacking energy: -7.579 Base-Backbone interact. energy: -0.023 local terms energy: -17.639412 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.516 flat angles C4'-P-C4' energy: -5.010 flat angles P-C4'-P energy: -1.790 tors. eta vs tors. theta energy: -0.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 433 Temperature: 1.300000 Total energy: -23.846089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.846089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.846089 (E_RNA) where: Base-Base interactions energy: -7.812 where: short stacking energy: -7.812 Base-Backbone interact. energy: -0.022 local terms energy: -16.011477 where: bonds (distance) C4'-P energy: -4.227 bonds (distance) P-C4' energy: -3.376 flat angles C4'-P-C4' energy: -4.666 flat angles P-C4'-P energy: -3.293 tors. eta vs tors. theta energy: -0.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 433 Temperature: 1.350000 Total energy: -26.273101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.273101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.273101 (E_RNA) where: Base-Base interactions energy: -9.327 where: short stacking energy: -9.327 Base-Backbone interact. energy: -0.017 local terms energy: -16.929209 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -3.240 flat angles C4'-P-C4' energy: -3.550 flat angles P-C4'-P energy: -3.318 tors. eta vs tors. theta energy: -1.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 434 Temperature: 0.900000 Total energy: -34.028932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.028932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.028932 (E_RNA) where: Base-Base interactions energy: -12.406 where: short stacking energy: -12.406 Base-Backbone interact. energy: -0.000 local terms energy: -21.622730 where: bonds (distance) C4'-P energy: -3.661 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -5.313 flat angles P-C4'-P energy: -4.419 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: 2, replica: 3 ===================================== Write number: 434 Temperature: 0.950000 Total energy: -31.361296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.361296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.361296 (E_RNA) where: Base-Base interactions energy: -11.279 where: short stacking energy: -11.279 Base-Backbone interact. energy: -0.000 local terms energy: -20.082461 where: bonds (distance) C4'-P energy: -4.513 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -5.011 flat angles P-C4'-P energy: -1.050 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: 3, replica: 6 ===================================== Write number: 434 Temperature: 1.000000 Total energy: -34.024632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.024632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.024632 (E_RNA) where: Base-Base interactions energy: -13.564 where: short stacking energy: -13.564 Base-Backbone interact. energy: -0.001 local terms energy: -20.459745 where: bonds (distance) C4'-P energy: -4.033 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -3.798 flat angles P-C4'-P energy: -3.657 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: 4, replica: 5 ===================================== Write number: 434 Temperature: 1.050000 Total energy: -26.981419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.981419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.981419 (E_RNA) where: Base-Base interactions energy: -7.197 where: short stacking energy: -7.197 Base-Backbone interact. energy: 0.368 local terms energy: -20.152170 where: bonds (distance) C4'-P energy: -5.018 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.835 flat angles P-C4'-P energy: -3.876 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: 5, replica: 7 ===================================== Write number: 434 Temperature: 1.100000 Total energy: -28.366066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.366066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.366066 (E_RNA) where: Base-Base interactions energy: -9.684 where: short stacking energy: -9.684 Base-Backbone interact. energy: -0.022 local terms energy: -18.659661 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -3.966 flat angles C4'-P-C4' energy: -4.971 flat angles P-C4'-P energy: -2.444 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: 6, replica: 9 ===================================== Write number: 434 Temperature: 1.150000 Total energy: -27.695898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.695898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.695898 (E_RNA) where: Base-Base interactions energy: -7.406 where: short stacking energy: -7.406 Base-Backbone interact. energy: -0.097 local terms energy: -20.191984 where: bonds (distance) C4'-P energy: -2.389 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.131 flat angles P-C4'-P energy: -4.197 tors. eta vs tors. theta energy: -3.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 434 Temperature: 1.200000 Total energy: -26.017273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.017273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.017273 (E_RNA) where: Base-Base interactions energy: -3.361 where: short stacking energy: -3.361 Base-Backbone interact. energy: -0.001 local terms energy: -22.655201 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -4.995 flat angles P-C4'-P energy: -4.220 tors. eta vs tors. theta energy: -2.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 434 Temperature: 1.250000 Total energy: -29.048426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.048426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.048426 (E_RNA) where: Base-Base interactions energy: -8.062 where: short stacking energy: -8.062 Base-Backbone interact. energy: -0.000 local terms energy: -20.986434 where: bonds (distance) C4'-P energy: -5.126 bonds (distance) P-C4' energy: -4.642 flat angles C4'-P-C4' energy: -5.466 flat angles P-C4'-P energy: -2.442 tors. eta vs tors. theta energy: -3.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 434 Temperature: 1.300000 Total energy: -30.007301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.007301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.007301 (E_RNA) where: Base-Base interactions energy: -11.947 where: short stacking energy: -11.947 Base-Backbone interact. energy: -0.012 local terms energy: -18.047948 where: bonds (distance) C4'-P energy: -2.882 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -4.744 flat angles P-C4'-P energy: -2.701 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: 10, replica: 10 ===================================== Write number: 434 Temperature: 1.350000 Total energy: -24.843064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.843064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.843064 (E_RNA) where: Base-Base interactions energy: -7.842 where: short stacking energy: -7.842 Base-Backbone interact. energy: -0.000 local terms energy: -17.001333 where: bonds (distance) C4'-P energy: -4.157 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -4.519 flat angles P-C4'-P energy: -1.344 tors. eta vs tors. theta energy: -1.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 435 Temperature: 0.900000 Total energy: -39.810648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.810648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.810648 (E_RNA) where: Base-Base interactions energy: -16.372 where: short stacking energy: -16.372 Base-Backbone interact. energy: -0.000 local terms energy: -23.438398 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -4.446 flat angles P-C4'-P energy: -4.523 tors. eta vs tors. theta energy: -3.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 435 Temperature: 0.950000 Total energy: -34.959805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.959805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.959805 (E_RNA) where: Base-Base interactions energy: -12.962 where: short stacking energy: -12.962 Base-Backbone interact. energy: -0.001 local terms energy: -21.996690 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -4.270 flat angles P-C4'-P energy: -3.839 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: 3, replica: 3 ===================================== Write number: 435 Temperature: 1.000000 Total energy: -31.881248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.881248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.881248 (E_RNA) where: Base-Base interactions energy: -10.252 where: short stacking energy: -10.252 Base-Backbone interact. energy: -0.000 local terms energy: -21.628926 where: bonds (distance) C4'-P energy: -3.279 bonds (distance) P-C4' energy: -5.566 flat angles C4'-P-C4' energy: -4.741 flat angles P-C4'-P energy: -3.297 tors. eta vs tors. theta energy: -4.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 435 Temperature: 1.050000 Total energy: -35.017100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.017100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.017100 (E_RNA) where: Base-Base interactions energy: -10.827 where: short stacking energy: -10.827 Base-Backbone interact. energy: -0.000 local terms energy: -24.190461 where: bonds (distance) C4'-P energy: -3.934 bonds (distance) P-C4' energy: -6.023 flat angles C4'-P-C4' energy: -5.018 flat angles P-C4'-P energy: -3.539 tors. eta vs tors. theta energy: -5.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 435 Temperature: 1.100000 Total energy: -30.491201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.491201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.491201 (E_RNA) where: Base-Base interactions energy: -12.585 where: short stacking energy: -12.585 Base-Backbone interact. energy: -0.090 local terms energy: -17.816116 where: bonds (distance) C4'-P energy: -4.501 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -3.363 flat angles P-C4'-P energy: -2.098 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: 1 ===================================== Write number: 435 Temperature: 1.150000 Total energy: -26.025146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.025146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.025146 (E_RNA) where: Base-Base interactions energy: -5.871 where: short stacking energy: -5.871 Base-Backbone interact. energy: -0.004 local terms energy: -20.149925 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -5.279 flat angles P-C4'-P energy: -3.689 tors. eta vs tors. theta energy: -0.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 435 Temperature: 1.200000 Total energy: -26.527842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.527842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.527842 (E_RNA) where: Base-Base interactions energy: -6.880 where: short stacking energy: -6.880 Base-Backbone interact. energy: -0.019 local terms energy: -19.628524 where: bonds (distance) C4'-P energy: -4.840 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -3.633 flat angles P-C4'-P energy: -4.587 tors. eta vs tors. theta energy: -0.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 435 Temperature: 1.250000 Total energy: -27.127600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.127600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.127600 (E_RNA) where: Base-Base interactions energy: -9.958 where: short stacking energy: -9.958 Base-Backbone interact. energy: -0.007 local terms energy: -17.162549 where: bonds (distance) C4'-P energy: -4.563 bonds (distance) P-C4' energy: -4.706 flat angles C4'-P-C4' energy: -4.675 flat angles P-C4'-P energy: -2.202 tors. eta vs tors. theta energy: -1.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 435 Temperature: 1.300000 Total energy: -28.017932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.017932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.017932 (E_RNA) where: Base-Base interactions energy: -7.884 where: short stacking energy: -7.884 Base-Backbone interact. energy: -0.000 local terms energy: -20.134108 where: bonds (distance) C4'-P energy: -3.127 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.956 flat angles P-C4'-P energy: -3.137 tors. eta vs tors. theta energy: -2.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 435 Temperature: 1.350000 Total energy: -22.998384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.998384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.998384 (E_RNA) where: Base-Base interactions energy: -7.822 where: short stacking energy: -7.822 Base-Backbone interact. energy: -0.000 local terms energy: -15.175978 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -4.252 flat angles C4'-P-C4' energy: -4.251 flat angles P-C4'-P energy: -2.344 tors. eta vs tors. theta energy: 0.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 436 Temperature: 0.900000 Total energy: -34.879575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.879575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.879575 (E_RNA) where: Base-Base interactions energy: -15.088 where: short stacking energy: -15.088 Base-Backbone interact. energy: -0.002 local terms energy: -19.789265 where: bonds (distance) C4'-P energy: -3.714 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.225 flat angles P-C4'-P energy: -2.656 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: 2, replica: 4 ===================================== Write number: 436 Temperature: 0.950000 Total energy: -32.934560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.934560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.934560 (E_RNA) where: Base-Base interactions energy: -12.278 where: short stacking energy: -12.278 Base-Backbone interact. energy: -0.000 local terms energy: -20.656863 where: bonds (distance) C4'-P energy: -4.165 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.736 flat angles P-C4'-P energy: -3.155 tors. eta vs tors. theta energy: -2.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 436 Temperature: 1.000000 Total energy: -32.716653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.716653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.716653 (E_RNA) where: Base-Base interactions energy: -11.023 where: short stacking energy: -11.023 Base-Backbone interact. energy: -0.100 local terms energy: -21.593322 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -5.501 flat angles P-C4'-P energy: -3.332 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: 4, replica: 3 ===================================== Write number: 436 Temperature: 1.050000 Total energy: -31.223507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.223507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.223507 (E_RNA) where: Base-Base interactions energy: -11.903 where: short stacking energy: -11.903 Base-Backbone interact. energy: -0.017 local terms energy: -19.303164 where: bonds (distance) C4'-P energy: -4.025 bonds (distance) P-C4' energy: -5.202 flat angles C4'-P-C4' energy: -4.905 flat angles P-C4'-P energy: -4.287 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: 5, replica: 1 ===================================== Write number: 436 Temperature: 1.100000 Total energy: -29.625933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.625933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.625933 (E_RNA) where: Base-Base interactions energy: -11.160 where: short stacking energy: -11.160 Base-Backbone interact. energy: -0.000 local terms energy: -18.466376 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -4.051 flat angles P-C4'-P energy: -0.171 tors. eta vs tors. theta energy: -3.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 436 Temperature: 1.150000 Total energy: -36.819251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.819251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.819251 (E_RNA) where: Base-Base interactions energy: -11.519 where: short stacking energy: -11.519 Base-Backbone interact. energy: -0.000 local terms energy: -25.300379 where: bonds (distance) C4'-P energy: -3.375 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -5.416 flat angles P-C4'-P energy: -4.285 tors. eta vs tors. theta energy: -6.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 436 Temperature: 1.200000 Total energy: -29.644388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.644388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.644388 (E_RNA) where: Base-Base interactions energy: -8.923 where: short stacking energy: -8.923 Base-Backbone interact. energy: -0.000 local terms energy: -20.721573 where: bonds (distance) C4'-P energy: -3.775 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -5.329 flat angles P-C4'-P energy: -2.313 tors. eta vs tors. theta energy: -3.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 436 Temperature: 1.250000 Total energy: -28.200089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.200089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.200089 (E_RNA) where: Base-Base interactions energy: -10.979 where: short stacking energy: -10.979 Base-Backbone interact. energy: -0.002 local terms energy: -17.219110 where: bonds (distance) C4'-P energy: -4.397 bonds (distance) P-C4' energy: -5.298 flat angles C4'-P-C4' energy: -4.636 flat angles P-C4'-P energy: -2.218 tors. eta vs tors. theta energy: -0.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 436 Temperature: 1.300000 Total energy: -26.268781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.268781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.268781 (E_RNA) where: Base-Base interactions energy: -7.445 where: short stacking energy: -7.445 Base-Backbone interact. energy: -0.011 local terms energy: -18.813040 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -4.255 flat angles C4'-P-C4' energy: -4.369 flat angles P-C4'-P energy: -3.085 tors. eta vs tors. theta energy: -1.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 436 Temperature: 1.350000 Total energy: -24.578471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.578471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.578471 (E_RNA) where: Base-Base interactions energy: -7.829 where: short stacking energy: -7.829 Base-Backbone interact. energy: -0.000 local terms energy: -16.749735 where: bonds (distance) C4'-P energy: -2.447 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -5.280 flat angles P-C4'-P energy: -1.885 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: 1, replica: 6 ===================================== Write number: 437 Temperature: 0.900000 Total energy: -32.859523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.859523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.859523 (E_RNA) where: Base-Base interactions energy: -11.658 where: short stacking energy: -11.658 Base-Backbone interact. energy: -0.000 local terms energy: -21.201207 where: bonds (distance) C4'-P energy: -4.663 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.832 flat angles P-C4'-P energy: -2.777 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: 2, replica: 7 ===================================== Write number: 437 Temperature: 0.950000 Total energy: -36.547526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.547526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.547526 (E_RNA) where: Base-Base interactions energy: -15.578 where: short stacking energy: -15.578 Base-Backbone interact. energy: -0.000 local terms energy: -20.969511 where: bonds (distance) C4'-P energy: -4.513 bonds (distance) P-C4' energy: -5.333 flat angles C4'-P-C4' energy: -5.904 flat angles P-C4'-P energy: -1.851 tors. eta vs tors. theta energy: -3.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 437 Temperature: 1.000000 Total energy: -32.543579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.543579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.543579 (E_RNA) where: Base-Base interactions energy: -11.286 where: short stacking energy: -11.286 Base-Backbone interact. energy: -0.000 local terms energy: -21.257593 where: bonds (distance) C4'-P energy: -4.227 bonds (distance) P-C4' energy: -4.939 flat angles C4'-P-C4' energy: -3.388 flat angles P-C4'-P energy: -4.335 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: 4, replica: 3 ===================================== Write number: 437 Temperature: 1.050000 Total energy: -32.714937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.714937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.714937 (E_RNA) where: Base-Base interactions energy: -10.719 where: short stacking energy: -10.719 Base-Backbone interact. energy: -0.000 local terms energy: -21.995601 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -4.318 flat angles P-C4'-P energy: -4.068 tors. eta vs tors. theta energy: -2.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 437 Temperature: 1.100000 Total energy: -30.843123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.843123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.843123 (E_RNA) where: Base-Base interactions energy: -11.146 where: short stacking energy: -11.146 Base-Backbone interact. energy: -0.000 local terms energy: -19.697528 where: bonds (distance) C4'-P energy: -3.003 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -5.147 flat angles P-C4'-P energy: -3.436 tors. eta vs tors. theta energy: -2.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 437 Temperature: 1.150000 Total energy: -29.202139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.202139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.202139 (E_RNA) where: Base-Base interactions energy: -7.245 where: short stacking energy: -7.245 Base-Backbone interact. energy: -0.001 local terms energy: -21.956041 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -3.245 flat angles P-C4'-P energy: -4.648 tors. eta vs tors. theta energy: -3.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 437 Temperature: 1.200000 Total energy: -27.193727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.193727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.193727 (E_RNA) where: Base-Base interactions energy: -7.875 where: short stacking energy: -7.875 Base-Backbone interact. energy: -0.002 local terms energy: -19.316656 where: bonds (distance) C4'-P energy: -3.660 bonds (distance) P-C4' energy: -3.909 flat angles C4'-P-C4' energy: -5.588 flat angles P-C4'-P energy: -3.821 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: 8, replica: 10 ===================================== Write number: 437 Temperature: 1.250000 Total energy: -23.948134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.948134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.948134 (E_RNA) where: Base-Base interactions energy: -6.954 where: short stacking energy: -6.954 Base-Backbone interact. energy: -0.000 local terms energy: -16.993550 where: bonds (distance) C4'-P energy: -3.428 bonds (distance) P-C4' energy: -5.065 flat angles C4'-P-C4' energy: -5.078 flat angles P-C4'-P energy: -3.251 tors. eta vs tors. theta energy: -0.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 437 Temperature: 1.300000 Total energy: -23.871331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.871331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.871331 (E_RNA) where: Base-Base interactions energy: -3.931 where: short stacking energy: -3.931 Base-Backbone interact. energy: -0.124 local terms energy: -19.816827 where: bonds (distance) C4'-P energy: -4.840 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -5.128 flat angles P-C4'-P energy: -4.044 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: 10, replica: 8 ===================================== Write number: 437 Temperature: 1.350000 Total energy: -26.284370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.284370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.284370 (E_RNA) where: Base-Base interactions energy: -6.852 where: short stacking energy: -6.852 Base-Backbone interact. energy: 0.565 local terms energy: -19.997061 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -5.572 flat angles C4'-P-C4' energy: -4.358 flat angles P-C4'-P energy: -3.876 tors. eta vs tors. theta energy: -1.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 438 Temperature: 0.900000 Total energy: -35.129812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.129812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.129812 (E_RNA) where: Base-Base interactions energy: -13.738 where: short stacking energy: -13.738 Base-Backbone interact. energy: -0.000 local terms energy: -21.391554 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -3.369 flat angles P-C4'-P energy: -4.236 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: 2, replica: 6 ===================================== Write number: 438 Temperature: 0.950000 Total energy: -31.911087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.911087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.911087 (E_RNA) where: Base-Base interactions energy: -10.219 where: short stacking energy: -10.219 Base-Backbone interact. energy: -0.000 local terms energy: -21.691960 where: bonds (distance) C4'-P energy: -4.227 bonds (distance) P-C4' energy: -5.494 flat angles C4'-P-C4' energy: -4.833 flat angles P-C4'-P energy: -2.708 tors. eta vs tors. theta energy: -4.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 438 Temperature: 1.000000 Total energy: -33.550588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.550588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.550588 (E_RNA) where: Base-Base interactions energy: -14.017 where: short stacking energy: -14.017 Base-Backbone interact. energy: -0.000 local terms energy: -19.533367 where: bonds (distance) C4'-P energy: -4.132 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -4.988 flat angles P-C4'-P energy: -0.999 tors. eta vs tors. theta energy: -3.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 438 Temperature: 1.050000 Total energy: -27.619989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.619989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.619989 (E_RNA) where: Base-Base interactions energy: -11.438 where: short stacking energy: -11.438 Base-Backbone interact. energy: 0.685 local terms energy: -16.866288 where: bonds (distance) C4'-P energy: -2.878 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -5.151 flat angles P-C4'-P energy: -1.998 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: 5, replica: 2 ===================================== Write number: 438 Temperature: 1.100000 Total energy: -30.028398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.028398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.028398 (E_RNA) where: Base-Base interactions energy: -10.737 where: short stacking energy: -10.737 Base-Backbone interact. energy: -0.001 local terms energy: -19.290510 where: bonds (distance) C4'-P energy: -3.623 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -3.741 flat angles P-C4'-P energy: -4.171 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: 6, replica: 1 ===================================== Write number: 438 Temperature: 1.150000 Total energy: -28.106180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.106180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.106180 (E_RNA) where: Base-Base interactions energy: -9.140 where: short stacking energy: -9.140 Base-Backbone interact. energy: -0.000 local terms energy: -18.966198 where: bonds (distance) C4'-P energy: -3.839 bonds (distance) P-C4' energy: -6.020 flat angles C4'-P-C4' energy: -3.607 flat angles P-C4'-P energy: -2.739 tors. eta vs tors. theta energy: -2.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 438 Temperature: 1.200000 Total energy: -28.535228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.535228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.535228 (E_RNA) where: Base-Base interactions energy: -9.528 where: short stacking energy: -9.528 Base-Backbone interact. energy: -0.000 local terms energy: -19.006620 where: bonds (distance) C4'-P energy: -3.266 bonds (distance) P-C4' energy: -3.621 flat angles C4'-P-C4' energy: -4.234 flat angles P-C4'-P energy: -3.894 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: 8, replica: 5 ===================================== Write number: 438 Temperature: 1.250000 Total energy: -28.240919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.240919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.240919 (E_RNA) where: Base-Base interactions energy: -6.086 where: short stacking energy: -6.086 Base-Backbone interact. energy: -0.091 local terms energy: -22.064086 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -3.836 flat angles C4'-P-C4' energy: -4.988 flat angles P-C4'-P energy: -3.648 tors. eta vs tors. theta energy: -4.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 438 Temperature: 1.300000 Total energy: -25.475099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.475099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.475099 (E_RNA) where: Base-Base interactions energy: -6.806 where: short stacking energy: -6.806 Base-Backbone interact. energy: -0.000 local terms energy: -18.669004 where: bonds (distance) C4'-P energy: -4.240 bonds (distance) P-C4' energy: -4.219 flat angles C4'-P-C4' energy: -5.644 flat angles P-C4'-P energy: -2.147 tors. eta vs tors. theta energy: -2.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 438 Temperature: 1.350000 Total energy: -20.922196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.922196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.922196 (E_RNA) where: Base-Base interactions energy: -4.266 where: short stacking energy: -4.266 Base-Backbone interact. energy: -0.013 local terms energy: -16.643600 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -4.219 flat angles P-C4'-P energy: -2.723 tors. eta vs tors. theta energy: 0.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 439 Temperature: 0.900000 Total energy: -26.880531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.880531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.880531 (E_RNA) where: Base-Base interactions energy: -8.447 where: short stacking energy: -8.447 Base-Backbone interact. energy: -0.011 local terms energy: -18.421817 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -5.033 flat angles P-C4'-P energy: -3.570 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: 2, replica: 4 ===================================== Write number: 439 Temperature: 0.950000 Total energy: -33.120613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.120613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.120613 (E_RNA) where: Base-Base interactions energy: -14.142 where: short stacking energy: -14.142 Base-Backbone interact. energy: -0.002 local terms energy: -18.976972 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -4.945 flat angles C4'-P-C4' energy: -5.520 flat angles P-C4'-P energy: -0.746 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: 3, replica: 6 ===================================== Write number: 439 Temperature: 1.000000 Total energy: -30.716126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.716126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.716126 (E_RNA) where: Base-Base interactions energy: -8.388 where: short stacking energy: -8.388 Base-Backbone interact. energy: -0.000 local terms energy: -22.328090 where: bonds (distance) C4'-P energy: -3.428 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -5.553 flat angles P-C4'-P energy: -4.121 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: 2 ===================================== Write number: 439 Temperature: 1.050000 Total energy: -29.730064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.730064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.730064 (E_RNA) where: Base-Base interactions energy: -8.800 where: short stacking energy: -8.800 Base-Backbone interact. energy: -0.036 local terms energy: -20.894448 where: bonds (distance) C4'-P energy: -4.911 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.568 flat angles P-C4'-P energy: -4.005 tors. eta vs tors. theta energy: -1.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 439 Temperature: 1.100000 Total energy: -27.109162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.109162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.109162 (E_RNA) where: Base-Base interactions energy: -7.155 where: short stacking energy: -7.155 Base-Backbone interact. energy: -0.000 local terms energy: -19.953788 where: bonds (distance) C4'-P energy: -4.397 bonds (distance) P-C4' energy: -4.860 flat angles C4'-P-C4' energy: -3.668 flat angles P-C4'-P energy: -4.521 tors. eta vs tors. theta energy: -2.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 439 Temperature: 1.150000 Total energy: -31.982241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.982241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.982241 (E_RNA) where: Base-Base interactions energy: -10.591 where: short stacking energy: -10.591 Base-Backbone interact. energy: -0.003 local terms energy: -21.387890 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.128 flat angles P-C4'-P energy: -4.360 tors. eta vs tors. theta energy: -0.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 439 Temperature: 1.200000 Total energy: -24.527099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.527099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.527099 (E_RNA) where: Base-Base interactions energy: -7.499 where: short stacking energy: -8.399 Base-Backbone interact. energy: -0.002 local terms energy: -17.026328 where: bonds (distance) C4'-P energy: -4.645 bonds (distance) P-C4' energy: -3.314 flat angles C4'-P-C4' energy: -4.196 flat angles P-C4'-P energy: -3.417 tors. eta vs tors. theta energy: -1.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 439 Temperature: 1.250000 Total energy: -29.426953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.426953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.426953 (E_RNA) where: Base-Base interactions energy: -10.554 where: short stacking energy: -10.554 Base-Backbone interact. energy: -0.014 local terms energy: -18.859017 where: bonds (distance) C4'-P energy: -2.613 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.111 flat angles P-C4'-P energy: -3.792 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: 9, replica: 5 ===================================== Write number: 439 Temperature: 1.300000 Total energy: -24.810118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.810118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.810118 (E_RNA) where: Base-Base interactions energy: -4.896 where: short stacking energy: -4.896 Base-Backbone interact. energy: -0.000 local terms energy: -19.913990 where: bonds (distance) C4'-P energy: -4.501 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -5.152 flat angles P-C4'-P energy: -3.641 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: 10, replica: 9 ===================================== Write number: 439 Temperature: 1.350000 Total energy: -26.447409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.447409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.447409 (E_RNA) where: Base-Base interactions energy: -7.737 where: short stacking energy: -7.737 Base-Backbone interact. energy: -0.002 local terms energy: -18.708845 where: bonds (distance) C4'-P energy: -4.227 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -5.236 flat angles P-C4'-P energy: -1.435 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: 1, replica: 4 ===================================== Write number: 440 Temperature: 0.900000 Total energy: -35.495022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.495022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.495022 (E_RNA) where: Base-Base interactions energy: -11.475 where: short stacking energy: -11.475 Base-Backbone interact. energy: -0.100 local terms energy: -23.920429 where: bonds (distance) C4'-P energy: -5.018 bonds (distance) P-C4' energy: -5.783 flat angles C4'-P-C4' energy: -4.628 flat angles P-C4'-P energy: -4.206 tors. eta vs tors. theta energy: -4.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 440 Temperature: 0.950000 Total energy: -31.317728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.317728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.317728 (E_RNA) where: Base-Base interactions energy: -10.466 where: short stacking energy: -10.466 Base-Backbone interact. energy: -0.000 local terms energy: -20.851915 where: bonds (distance) C4'-P energy: -3.661 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -4.842 flat angles P-C4'-P energy: -4.159 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: 2 ===================================== Write number: 440 Temperature: 1.000000 Total energy: -31.014707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.014707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.014707 (E_RNA) where: Base-Base interactions energy: -10.044 where: short stacking energy: -10.044 Base-Backbone interact. energy: -0.043 local terms energy: -20.927531 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.258 flat angles C4'-P-C4' energy: -4.940 flat angles P-C4'-P energy: -2.400 tors. eta vs tors. theta energy: -3.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 440 Temperature: 1.050000 Total energy: -32.394289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.394289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.394289 (E_RNA) where: Base-Base interactions energy: -11.179 where: short stacking energy: -11.179 Base-Backbone interact. energy: -0.000 local terms energy: -21.214958 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -3.463 flat angles P-C4'-P energy: -2.529 tors. eta vs tors. theta energy: -4.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 440 Temperature: 1.100000 Total energy: -31.673394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.673394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.673394 (E_RNA) where: Base-Base interactions energy: -12.887 where: short stacking energy: -12.887 Base-Backbone interact. energy: -0.001 local terms energy: -18.785052 where: bonds (distance) C4'-P energy: -4.356 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -3.603 flat angles P-C4'-P energy: -3.991 tors. eta vs tors. theta energy: -1.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 440 Temperature: 1.150000 Total energy: -30.711075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.711075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.711075 (E_RNA) where: Base-Base interactions energy: -8.015 where: short stacking energy: -8.015 Base-Backbone interact. energy: -0.000 local terms energy: -22.695806 where: bonds (distance) C4'-P energy: -3.420 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -5.308 flat angles P-C4'-P energy: -4.761 tors. eta vs tors. theta energy: -2.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 440 Temperature: 1.200000 Total energy: -27.481049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.481049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.481049 (E_RNA) where: Base-Base interactions energy: -7.142 where: short stacking energy: -7.142 Base-Backbone interact. energy: 0.369 local terms energy: -20.707355 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.516 flat angles C4'-P-C4' energy: -4.795 flat angles P-C4'-P energy: -2.903 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: 8, replica: 1 ===================================== Write number: 440 Temperature: 1.250000 Total energy: -29.145800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.145800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.145800 (E_RNA) where: Base-Base interactions energy: -6.614 where: short stacking energy: -6.614 Base-Backbone interact. energy: -0.000 local terms energy: -22.531243 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.425 flat angles P-C4'-P energy: -2.646 tors. eta vs tors. theta energy: -3.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 440 Temperature: 1.300000 Total energy: -31.841975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.841975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.841975 (E_RNA) where: Base-Base interactions energy: -10.147 where: short stacking energy: -10.147 Base-Backbone interact. energy: -0.000 local terms energy: -21.695269 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -3.074 flat angles P-C4'-P energy: -3.475 tors. eta vs tors. theta energy: -4.409 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: 440 Temperature: 1.350000 Total energy: -26.490445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.490445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.490445 (E_RNA) where: Base-Base interactions energy: -7.213 where: short stacking energy: -7.213 Base-Backbone interact. energy: -0.858 local terms energy: -18.419281 where: bonds (distance) C4'-P energy: -3.661 bonds (distance) P-C4' energy: -4.646 flat angles C4'-P-C4' energy: -4.277 flat angles P-C4'-P energy: -4.378 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: 1, replica: 4 ===================================== Write number: 441 Temperature: 0.900000 Total energy: -34.888767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.888767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.888767 (E_RNA) where: Base-Base interactions energy: -15.534 where: short stacking energy: -15.534 Base-Backbone interact. energy: -0.000 local terms energy: -19.354109 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -4.684 flat angles C4'-P-C4' energy: -5.175 flat angles P-C4'-P energy: -2.254 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: 2, replica: 2 ===================================== Write number: 441 Temperature: 0.950000 Total energy: -31.319809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.319809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.319809 (E_RNA) where: Base-Base interactions energy: -13.090 where: short stacking energy: -13.090 Base-Backbone interact. energy: -0.092 local terms energy: -18.138174 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -4.691 flat angles P-C4'-P energy: -2.295 tors. eta vs tors. theta energy: -1.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 441 Temperature: 1.000000 Total energy: -36.627875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.627875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.627875 (E_RNA) where: Base-Base interactions energy: -15.383 where: short stacking energy: -15.383 Base-Backbone interact. energy: -0.000 local terms energy: -21.244697 where: bonds (distance) C4'-P energy: -5.188 bonds (distance) P-C4' energy: -4.001 flat angles C4'-P-C4' energy: -5.324 flat angles P-C4'-P energy: -3.638 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: 4, replica: 6 ===================================== Write number: 441 Temperature: 1.050000 Total energy: -31.248548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.248548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.248548 (E_RNA) where: Base-Base interactions energy: -11.288 where: short stacking energy: -11.288 Base-Backbone interact. energy: -0.001 local terms energy: -19.959746 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -5.283 flat angles C4'-P-C4' energy: -4.250 flat angles P-C4'-P energy: -4.698 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: 5, replica: 10 ===================================== Write number: 441 Temperature: 1.100000 Total energy: -28.401887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.401887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.401887 (E_RNA) where: Base-Base interactions energy: -7.406 where: short stacking energy: -7.406 Base-Backbone interact. energy: -0.000 local terms energy: -20.996168 where: bonds (distance) C4'-P energy: -4.529 bonds (distance) P-C4' energy: -5.995 flat angles C4'-P-C4' energy: -4.237 flat angles P-C4'-P energy: -3.522 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: 6, replica: 8 ===================================== Write number: 441 Temperature: 1.150000 Total energy: -26.470446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.470446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.470446 (E_RNA) where: Base-Base interactions energy: -7.568 where: short stacking energy: -7.568 Base-Backbone interact. energy: -0.000 local terms energy: -18.902326 where: bonds (distance) C4'-P energy: -4.617 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -3.761 flat angles P-C4'-P energy: -4.607 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: 3 ===================================== Write number: 441 Temperature: 1.200000 Total energy: -26.716478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.716478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.716478 (E_RNA) where: Base-Base interactions energy: -7.371 where: short stacking energy: -7.371 Base-Backbone interact. energy: -0.000 local terms energy: -19.344707 where: bonds (distance) C4'-P energy: -2.699 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -3.349 flat angles P-C4'-P energy: -3.322 tors. eta vs tors. theta energy: -3.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 441 Temperature: 1.250000 Total energy: -29.855402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.855402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.855402 (E_RNA) where: Base-Base interactions energy: -9.221 where: short stacking energy: -9.221 Base-Backbone interact. energy: -0.000 local terms energy: -20.634650 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -3.964 flat angles P-C4'-P energy: -1.990 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: 1 ===================================== Write number: 441 Temperature: 1.300000 Total energy: -24.442876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.442876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.442876 (E_RNA) where: Base-Base interactions energy: -5.463 where: short stacking energy: -5.463 Base-Backbone interact. energy: -0.212 local terms energy: -18.768464 where: bonds (distance) C4'-P energy: -4.053 bonds (distance) P-C4' energy: -5.072 flat angles C4'-P-C4' energy: -4.519 flat angles P-C4'-P energy: -4.521 tors. eta vs tors. theta energy: -0.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 441 Temperature: 1.350000 Total energy: -25.549290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.549290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.549290 (E_RNA) where: Base-Base interactions energy: -7.630 where: short stacking energy: -7.630 Base-Backbone interact. energy: -0.000 local terms energy: -17.919329 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -4.224 flat angles C4'-P-C4' energy: -4.935 flat angles P-C4'-P energy: -1.979 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: 1, replica: 4 ===================================== Write number: 442 Temperature: 0.900000 Total energy: -36.467438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.467438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.467438 (E_RNA) where: Base-Base interactions energy: -11.291 where: short stacking energy: -11.291 Base-Backbone interact. energy: -0.000 local terms energy: -25.176730 where: bonds (distance) C4'-P energy: -5.159 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.172 flat angles P-C4'-P energy: -3.877 tors. eta vs tors. theta energy: -4.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 442 Temperature: 0.950000 Total energy: -32.558710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.558710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.558710 (E_RNA) where: Base-Base interactions energy: -12.420 where: short stacking energy: -12.420 Base-Backbone interact. energy: -0.000 local terms energy: -20.138632 where: bonds (distance) C4'-P energy: -4.248 bonds (distance) P-C4' energy: -4.252 flat angles C4'-P-C4' energy: -4.919 flat angles P-C4'-P energy: -2.619 tors. eta vs tors. theta energy: -4.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 442 Temperature: 1.000000 Total energy: -38.116909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.116909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.116909 (E_RNA) where: Base-Base interactions energy: -13.950 where: short stacking energy: -13.950 Base-Backbone interact. energy: -0.000 local terms energy: -24.166538 where: bonds (distance) C4'-P energy: -4.911 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.447 flat angles P-C4'-P energy: -3.874 tors. eta vs tors. theta energy: -4.159 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: 4, replica: 6 ===================================== Write number: 442 Temperature: 1.050000 Total energy: -29.260348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.260348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.260348 (E_RNA) where: Base-Base interactions energy: -7.064 where: short stacking energy: -7.193 Base-Backbone interact. energy: -0.000 local terms energy: -22.196792 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.365 flat angles P-C4'-P energy: -3.004 tors. eta vs tors. theta energy: -3.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 442 Temperature: 1.100000 Total energy: -32.957872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.957872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.957872 (E_RNA) where: Base-Base interactions energy: -9.959 where: short stacking energy: -9.959 Base-Backbone interact. energy: -0.000 local terms energy: -22.999051 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -3.906 flat angles P-C4'-P energy: -2.699 tors. eta vs tors. theta energy: -5.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 442 Temperature: 1.150000 Total energy: -23.569260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.569260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.569260 (E_RNA) where: Base-Base interactions energy: -4.486 where: short stacking energy: -4.486 Base-Backbone interact. energy: -0.058 local terms energy: -19.025293 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -4.975 flat angles P-C4'-P energy: -3.395 tors. eta vs tors. theta energy: -0.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 442 Temperature: 1.200000 Total energy: -30.538549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.538549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.538549 (E_RNA) where: Base-Base interactions energy: -12.190 where: short stacking energy: -12.190 Base-Backbone interact. energy: -0.000 local terms energy: -18.348713 where: bonds (distance) C4'-P energy: -3.316 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.371 flat angles P-C4'-P energy: -1.511 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: 8, replica: 3 ===================================== Write number: 442 Temperature: 1.250000 Total energy: -27.445577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.445577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.445577 (E_RNA) where: Base-Base interactions energy: -7.166 where: short stacking energy: -7.166 Base-Backbone interact. energy: -0.005 local terms energy: -20.274136 where: bonds (distance) C4'-P energy: -5.018 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -4.006 flat angles P-C4'-P energy: -4.724 tors. eta vs tors. theta energy: -0.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 442 Temperature: 1.300000 Total energy: -24.894420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.894420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.894420 (E_RNA) where: Base-Base interactions energy: -5.075 where: short stacking energy: -5.075 Base-Backbone interact. energy: -0.031 local terms energy: -19.788502 where: bonds (distance) C4'-P energy: -5.188 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -4.602 flat angles P-C4'-P energy: -3.525 tors. eta vs tors. theta energy: -1.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 442 Temperature: 1.350000 Total energy: -28.813534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.813534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.813534 (E_RNA) where: Base-Base interactions energy: -10.789 where: short stacking energy: -10.789 Base-Backbone interact. energy: -0.010 local terms energy: -18.014108 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -2.383 flat angles P-C4'-P energy: -2.067 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: 4 ===================================== Write number: 443 Temperature: 0.900000 Total energy: -30.541272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.541272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.541272 (E_RNA) where: Base-Base interactions energy: -11.088 where: short stacking energy: -11.088 Base-Backbone interact. energy: -0.001 local terms energy: -19.451480 where: bonds (distance) C4'-P energy: -4.981 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -3.781 flat angles P-C4'-P energy: -2.414 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: 2, replica: 7 ===================================== Write number: 443 Temperature: 0.950000 Total energy: -37.293379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.293379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.293379 (E_RNA) where: Base-Base interactions energy: -15.427 where: short stacking energy: -15.427 Base-Backbone interact. energy: -0.045 local terms energy: -21.821161 where: bonds (distance) C4'-P energy: -4.111 bonds (distance) P-C4' energy: -5.463 flat angles C4'-P-C4' energy: -5.849 flat angles P-C4'-P energy: -4.439 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: 3, replica: 2 ===================================== Write number: 443 Temperature: 1.000000 Total energy: -32.149917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.149917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.149917 (E_RNA) where: Base-Base interactions energy: -11.055 where: short stacking energy: -11.055 Base-Backbone interact. energy: -0.000 local terms energy: -21.094528 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -4.439 flat angles C4'-P-C4' energy: -3.882 flat angles P-C4'-P energy: -1.998 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: 4, replica: 6 ===================================== Write number: 443 Temperature: 1.050000 Total energy: -25.792338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.792338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.792338 (E_RNA) where: Base-Base interactions energy: -7.012 where: short stacking energy: -7.012 Base-Backbone interact. energy: -0.003 local terms energy: -18.777964 where: bonds (distance) C4'-P energy: -4.663 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.462 flat angles P-C4'-P energy: -3.933 tors. eta vs tors. theta energy: 0.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 443 Temperature: 1.100000 Total energy: -33.122799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.122799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.122799 (E_RNA) where: Base-Base interactions energy: -12.465 where: short stacking energy: -12.465 Base-Backbone interact. energy: -0.178 local terms energy: -20.479909 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.342 flat angles P-C4'-P energy: -2.553 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: 6, replica: 9 ===================================== Write number: 443 Temperature: 1.150000 Total energy: -26.756367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.756367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.756367 (E_RNA) where: Base-Base interactions energy: -7.560 where: short stacking energy: -7.560 Base-Backbone interact. energy: -0.106 local terms energy: -19.090068 where: bonds (distance) C4'-P energy: -4.270 bonds (distance) P-C4' energy: -5.305 flat angles C4'-P-C4' energy: -5.605 flat angles P-C4'-P energy: -2.941 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: 7, replica: 10 ===================================== Write number: 443 Temperature: 1.200000 Total energy: -30.973092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.973092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.973092 (E_RNA) where: Base-Base interactions energy: -11.894 where: short stacking energy: -11.894 Base-Backbone interact. energy: -0.037 local terms energy: -19.041945 where: bonds (distance) C4'-P energy: -3.899 bonds (distance) P-C4' energy: -5.463 flat angles C4'-P-C4' energy: -4.893 flat angles P-C4'-P energy: -2.722 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: 8, replica: 5 ===================================== Write number: 443 Temperature: 1.250000 Total energy: -23.659336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.659336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.659336 (E_RNA) where: Base-Base interactions energy: -8.077 where: short stacking energy: -8.077 Base-Backbone interact. energy: -0.077 local terms energy: -15.504931 where: bonds (distance) C4'-P energy: -3.768 bonds (distance) P-C4' energy: -4.603 flat angles C4'-P-C4' energy: -4.843 flat angles P-C4'-P energy: -3.123 tors. eta vs tors. theta energy: 0.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 443 Temperature: 1.300000 Total energy: -27.914635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.914635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.914635 (E_RNA) where: Base-Base interactions energy: -9.473 where: short stacking energy: -9.473 Base-Backbone interact. energy: -0.095 local terms energy: -18.346409 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.869 flat angles P-C4'-P energy: -0.007 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: 10, replica: 1 ===================================== Write number: 443 Temperature: 1.350000 Total energy: -28.184444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.184444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.184444 (E_RNA) where: Base-Base interactions energy: -6.297 where: short stacking energy: -6.297 Base-Backbone interact. energy: -0.000 local terms energy: -21.887730 where: bonds (distance) C4'-P energy: -4.157 bonds (distance) P-C4' energy: -4.706 flat angles C4'-P-C4' energy: -5.278 flat angles P-C4'-P energy: -3.944 tors. eta vs tors. theta energy: -3.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 444 Temperature: 0.900000 Total energy: -36.223521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.223521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.223521 (E_RNA) where: Base-Base interactions energy: -12.369 where: short stacking energy: -12.369 Base-Backbone interact. energy: -0.000 local terms energy: -23.854359 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.273 flat angles P-C4'-P energy: -3.330 tors. eta vs tors. theta energy: -3.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 444 Temperature: 0.950000 Total energy: -34.101329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.101329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.101329 (E_RNA) where: Base-Base interactions energy: -12.889 where: short stacking energy: -12.889 Base-Backbone interact. energy: -0.001 local terms energy: -21.211594 where: bonds (distance) C4'-P energy: -5.089 bonds (distance) P-C4' energy: -4.783 flat angles C4'-P-C4' energy: -4.562 flat angles P-C4'-P energy: -2.431 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: 3, replica: 2 ===================================== Write number: 444 Temperature: 1.000000 Total energy: -42.049317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.049317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.049317 (E_RNA) where: Base-Base interactions energy: -16.141 where: short stacking energy: -16.141 Base-Backbone interact. energy: -0.000 local terms energy: -25.908441 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -5.349 flat angles P-C4'-P energy: -4.018 tors. eta vs tors. theta energy: -5.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 444 Temperature: 1.050000 Total energy: -30.389713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.389713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.389713 (E_RNA) where: Base-Base interactions energy: -11.860 where: short stacking energy: -11.860 Base-Backbone interact. energy: -0.001 local terms energy: -18.528366 where: bonds (distance) C4'-P energy: -4.281 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -2.651 flat angles P-C4'-P energy: -3.134 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: 5, replica: 9 ===================================== Write number: 444 Temperature: 1.100000 Total energy: -27.621705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.621705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.621705 (E_RNA) where: Base-Base interactions energy: -7.723 where: short stacking energy: -7.723 Base-Backbone interact. energy: -0.032 local terms energy: -19.866761 where: bonds (distance) C4'-P energy: -4.165 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -4.624 flat angles P-C4'-P energy: -1.751 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: 6, replica: 8 ===================================== Write number: 444 Temperature: 1.150000 Total energy: -29.318541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.318541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.318541 (E_RNA) where: Base-Base interactions energy: -7.141 where: short stacking energy: -7.141 Base-Backbone interact. energy: -0.007 local terms energy: -22.171399 where: bonds (distance) C4'-P energy: -4.547 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -3.531 flat angles P-C4'-P energy: -4.560 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: 7, replica: 5 ===================================== Write number: 444 Temperature: 1.200000 Total energy: -27.776756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.776756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.776756 (E_RNA) where: Base-Base interactions energy: -8.520 where: short stacking energy: -8.520 Base-Backbone interact. energy: -0.000 local terms energy: -19.256781 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.111 flat angles P-C4'-P energy: -3.037 tors. eta vs tors. theta energy: -0.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 444 Temperature: 1.250000 Total energy: -23.900720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.900720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.900720 (E_RNA) where: Base-Base interactions energy: -5.348 where: short stacking energy: -5.348 Base-Backbone interact. energy: 0.711 local terms energy: -19.263467 where: bonds (distance) C4'-P energy: -4.617 bonds (distance) P-C4' energy: -5.566 flat angles C4'-P-C4' energy: -3.683 flat angles P-C4'-P energy: -2.755 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: 9, replica: 1 ===================================== Write number: 444 Temperature: 1.300000 Total energy: -28.322233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.322233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.322233 (E_RNA) where: Base-Base interactions energy: -7.569 where: short stacking energy: -7.569 Base-Backbone interact. energy: -0.000 local terms energy: -20.752989 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -4.642 flat angles C4'-P-C4' energy: -4.075 flat angles P-C4'-P energy: -4.258 tors. eta vs tors. theta energy: -2.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 444 Temperature: 1.350000 Total energy: -26.623124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.623124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.623124 (E_RNA) where: Base-Base interactions energy: -8.360 where: short stacking energy: -7.113 Base-Backbone interact. energy: -0.019 local terms energy: -18.243903 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -4.473 flat angles C4'-P-C4' energy: -4.397 flat angles P-C4'-P energy: -2.525 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: 1, replica: 4 ===================================== Write number: 445 Temperature: 0.900000 Total energy: -35.713916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.713916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.713916 (E_RNA) where: Base-Base interactions energy: -13.075 where: short stacking energy: -13.075 Base-Backbone interact. energy: -0.000 local terms energy: -22.638792 where: bonds (distance) C4'-P energy: -4.281 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.842 flat angles P-C4'-P energy: -3.732 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: 2 ===================================== Write number: 445 Temperature: 0.950000 Total energy: -34.026677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.026677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.026677 (E_RNA) where: Base-Base interactions energy: -12.546 where: short stacking energy: -12.546 Base-Backbone interact. energy: -0.010 local terms energy: -21.470367 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -5.482 flat angles P-C4'-P energy: -4.055 tors. eta vs tors. theta energy: -2.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 445 Temperature: 1.000000 Total energy: -32.019347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.019347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.019347 (E_RNA) where: Base-Base interactions energy: -12.921 where: short stacking energy: -12.921 Base-Backbone interact. energy: -0.014 local terms energy: -19.083969 where: bonds (distance) C4'-P energy: -2.071 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.658 flat angles P-C4'-P energy: -3.309 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: 4, replica: 6 ===================================== Write number: 445 Temperature: 1.050000 Total energy: -31.485832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.485832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.485832 (E_RNA) where: Base-Base interactions energy: -11.697 where: short stacking energy: -11.697 Base-Backbone interact. energy: -0.082 local terms energy: -19.706969 where: bonds (distance) C4'-P energy: -4.609 bonds (distance) P-C4' energy: -3.394 flat angles C4'-P-C4' energy: -5.167 flat angles P-C4'-P energy: -3.538 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: 9 ===================================== Write number: 445 Temperature: 1.100000 Total energy: -29.375880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.375880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.375880 (E_RNA) where: Base-Base interactions energy: -9.538 where: short stacking energy: -9.538 Base-Backbone interact. energy: -0.000 local terms energy: -19.837684 where: bonds (distance) C4'-P energy: -4.645 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -5.348 flat angles P-C4'-P energy: -2.131 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: 8 ===================================== Write number: 445 Temperature: 1.150000 Total energy: -28.425733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.425733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.425733 (E_RNA) where: Base-Base interactions energy: -11.181 where: short stacking energy: -11.181 Base-Backbone interact. energy: -0.001 local terms energy: -17.243971 where: bonds (distance) C4'-P energy: -2.179 bonds (distance) P-C4' energy: -4.470 flat angles C4'-P-C4' energy: -3.953 flat angles P-C4'-P energy: -3.662 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: 7, replica: 5 ===================================== Write number: 445 Temperature: 1.200000 Total energy: -28.025258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.025258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.025258 (E_RNA) where: Base-Base interactions energy: -10.147 where: short stacking energy: -10.147 Base-Backbone interact. energy: -0.005 local terms energy: -17.873517 where: bonds (distance) C4'-P energy: -4.351 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -3.742 flat angles P-C4'-P energy: -2.947 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: 8, replica: 1 ===================================== Write number: 445 Temperature: 1.250000 Total energy: -23.451258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.451258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.451258 (E_RNA) where: Base-Base interactions energy: -8.720 where: short stacking energy: -8.720 Base-Backbone interact. energy: -0.009 local terms energy: -14.721930 where: bonds (distance) C4'-P energy: -2.667 bonds (distance) P-C4' energy: -6.256 flat angles C4'-P-C4' energy: -4.195 flat angles P-C4'-P energy: -3.085 tors. eta vs tors. theta energy: 1.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 445 Temperature: 1.300000 Total energy: -26.707189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.707189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.707189 (E_RNA) where: Base-Base interactions energy: -8.570 where: short stacking energy: -8.570 Base-Backbone interact. energy: -0.000 local terms energy: -18.136876 where: bonds (distance) C4'-P energy: -2.795 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.377 flat angles P-C4'-P energy: -2.805 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: 10, replica: 3 ===================================== Write number: 445 Temperature: 1.350000 Total energy: -27.175868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.175868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.175868 (E_RNA) where: Base-Base interactions energy: -8.496 where: short stacking energy: -8.496 Base-Backbone interact. energy: -0.014 local terms energy: -18.665863 where: bonds (distance) C4'-P energy: -4.529 bonds (distance) P-C4' energy: -4.832 flat angles C4'-P-C4' energy: -5.097 flat angles P-C4'-P energy: -2.055 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: 1, replica: 2 ===================================== Write number: 446 Temperature: 0.900000 Total energy: -36.081985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.081985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.081985 (E_RNA) where: Base-Base interactions energy: -15.841 where: short stacking energy: -15.841 Base-Backbone interact. energy: -0.000 local terms energy: -20.241093 where: bonds (distance) C4'-P energy: -3.723 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -4.005 flat angles P-C4'-P energy: -3.966 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: 2, replica: 4 ===================================== Write number: 446 Temperature: 0.950000 Total energy: -37.620866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.620866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.620866 (E_RNA) where: Base-Base interactions energy: -15.729 where: short stacking energy: -15.729 Base-Backbone interact. energy: -0.002 local terms energy: -21.889429 where: bonds (distance) C4'-P energy: -4.911 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.356 flat angles P-C4'-P energy: -3.182 tors. eta vs tors. theta energy: -3.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 446 Temperature: 1.000000 Total energy: -35.076478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.076478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.076478 (E_RNA) where: Base-Base interactions energy: -15.546 where: short stacking energy: -15.546 Base-Backbone interact. energy: -0.004 local terms energy: -19.526317 where: bonds (distance) C4'-P energy: -4.493 bonds (distance) P-C4' energy: -4.019 flat angles C4'-P-C4' energy: -4.484 flat angles P-C4'-P energy: -2.940 tors. eta vs tors. theta energy: -3.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 446 Temperature: 1.050000 Total energy: -29.599778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.599778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.599778 (E_RNA) where: Base-Base interactions energy: -10.269 where: short stacking energy: -10.269 Base-Backbone interact. energy: -0.011 local terms energy: -19.320155 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -3.880 flat angles P-C4'-P energy: -4.121 tors. eta vs tors. theta energy: -0.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 446 Temperature: 1.100000 Total energy: -29.365939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.365939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.365939 (E_RNA) where: Base-Base interactions energy: -7.662 where: short stacking energy: -7.662 Base-Backbone interact. energy: -0.005 local terms energy: -21.698477 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.460 flat angles C4'-P-C4' energy: -5.206 flat angles P-C4'-P energy: -2.909 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: 9 ===================================== Write number: 446 Temperature: 1.150000 Total energy: -31.386982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.386982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.386982 (E_RNA) where: Base-Base interactions energy: -12.829 where: short stacking energy: -12.829 Base-Backbone interact. energy: -0.000 local terms energy: -18.557583 where: bonds (distance) C4'-P energy: -3.180 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -2.765 flat angles P-C4'-P energy: -3.769 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: 7, replica: 1 ===================================== Write number: 446 Temperature: 1.200000 Total energy: -30.429489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.429489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.429489 (E_RNA) where: Base-Base interactions energy: -11.818 where: short stacking energy: -11.818 Base-Backbone interact. energy: -0.002 local terms energy: -18.609269 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -4.949 flat angles C4'-P-C4' energy: -2.493 flat angles P-C4'-P energy: -3.678 tors. eta vs tors. theta energy: -2.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 446 Temperature: 1.250000 Total energy: -26.636890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.636890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.636890 (E_RNA) where: Base-Base interactions energy: -6.970 where: short stacking energy: -6.970 Base-Backbone interact. energy: -0.043 local terms energy: -19.623541 where: bonds (distance) C4'-P energy: -3.375 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.103 flat angles P-C4'-P energy: -3.746 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: 9, replica: 3 ===================================== Write number: 446 Temperature: 1.300000 Total energy: -25.524560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.524560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.524560 (E_RNA) where: Base-Base interactions energy: -9.598 where: short stacking energy: -9.598 Base-Backbone interact. energy: -0.000 local terms energy: -15.926525 where: bonds (distance) C4'-P energy: -4.413 bonds (distance) P-C4' energy: -4.702 flat angles C4'-P-C4' energy: -4.659 flat angles P-C4'-P energy: -0.981 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: 10 ===================================== Write number: 446 Temperature: 1.350000 Total energy: -26.566443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.566443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.566443 (E_RNA) where: Base-Base interactions energy: -10.638 where: short stacking energy: -10.638 Base-Backbone interact. energy: -0.001 local terms energy: -15.927403 where: bonds (distance) C4'-P energy: -4.513 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -3.429 flat angles P-C4'-P energy: -1.289 tors. eta vs tors. theta energy: -0.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 447 Temperature: 0.900000 Total energy: -39.902118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.902118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.902118 (E_RNA) where: Base-Base interactions energy: -14.465 where: short stacking energy: -14.465 Base-Backbone interact. energy: -0.000 local terms energy: -25.437273 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -6.002 flat angles C4'-P-C4' energy: -5.786 flat angles P-C4'-P energy: -4.561 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: 2, replica: 6 ===================================== Write number: 447 Temperature: 0.950000 Total energy: -33.486966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.486966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.486966 (E_RNA) where: Base-Base interactions energy: -11.708 where: short stacking energy: -11.708 Base-Backbone interact. energy: -0.001 local terms energy: -21.778156 where: bonds (distance) C4'-P energy: -3.520 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -5.292 flat angles P-C4'-P energy: -4.342 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: 3, replica: 4 ===================================== Write number: 447 Temperature: 1.000000 Total energy: -32.167278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.167278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.167278 (E_RNA) where: Base-Base interactions energy: -12.932 where: short stacking energy: -12.932 Base-Backbone interact. energy: 0.214 local terms energy: -19.449204 where: bonds (distance) C4'-P energy: -3.374 bonds (distance) P-C4' energy: -6.020 flat angles C4'-P-C4' energy: -4.282 flat angles P-C4'-P energy: -4.739 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: 4, replica: 8 ===================================== Write number: 447 Temperature: 1.050000 Total energy: -29.984213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.984213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.984213 (E_RNA) where: Base-Base interactions energy: -11.366 where: short stacking energy: -11.366 Base-Backbone interact. energy: -0.011 local terms energy: -18.607438 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.693 flat angles P-C4'-P energy: -3.232 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: 5, replica: 7 ===================================== Write number: 447 Temperature: 1.100000 Total energy: -32.917996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.917996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.917996 (E_RNA) where: Base-Base interactions energy: -11.588 where: short stacking energy: -11.588 Base-Backbone interact. energy: -0.000 local terms energy: -21.330169 where: bonds (distance) C4'-P energy: -4.389 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -3.558 flat angles P-C4'-P energy: -4.180 tors. eta vs tors. theta energy: -3.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 447 Temperature: 1.150000 Total energy: -29.014732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.014732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.014732 (E_RNA) where: Base-Base interactions energy: -13.813 where: short stacking energy: -13.813 Base-Backbone interact. energy: -0.000 local terms energy: -15.201070 where: bonds (distance) C4'-P energy: -2.737 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -1.207 flat angles P-C4'-P energy: -3.924 tors. eta vs tors. theta energy: -1.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 447 Temperature: 1.200000 Total energy: -30.372703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.372703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.372703 (E_RNA) where: Base-Base interactions energy: -10.177 where: short stacking energy: -10.177 Base-Backbone interact. energy: -0.103 local terms energy: -20.093112 where: bonds (distance) C4'-P energy: -4.609 bonds (distance) P-C4' energy: -5.516 flat angles C4'-P-C4' energy: -5.011 flat angles P-C4'-P energy: -3.312 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: 3 ===================================== Write number: 447 Temperature: 1.250000 Total energy: -31.555527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.555527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.555527 (E_RNA) where: Base-Base interactions energy: -11.228 where: short stacking energy: -11.228 Base-Backbone interact. energy: -0.000 local terms energy: -20.327557 where: bonds (distance) C4'-P energy: -4.663 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -4.181 flat angles P-C4'-P energy: -2.884 tors. eta vs tors. theta energy: -3.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 447 Temperature: 1.300000 Total energy: -25.945760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.945760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.945760 (E_RNA) where: Base-Base interactions energy: -6.429 where: short stacking energy: -6.429 Base-Backbone interact. energy: -0.030 local terms energy: -19.486518 where: bonds (distance) C4'-P energy: -4.555 bonds (distance) P-C4' energy: -5.498 flat angles C4'-P-C4' energy: -4.369 flat angles P-C4'-P energy: -3.902 tors. eta vs tors. theta energy: -1.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 447 Temperature: 1.350000 Total energy: -28.343785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.343785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.343785 (E_RNA) where: Base-Base interactions energy: -9.739 where: short stacking energy: -9.739 Base-Backbone interact. energy: -0.047 local terms energy: -18.558128 where: bonds (distance) C4'-P energy: -4.567 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -3.814 flat angles P-C4'-P energy: -4.480 tors. eta vs tors. theta energy: 0.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 448 Temperature: 0.900000 Total energy: -37.409850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.409850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.409850 (E_RNA) where: Base-Base interactions energy: -15.158 where: short stacking energy: -15.158 Base-Backbone interact. energy: -0.000 local terms energy: -22.251713 where: bonds (distance) C4'-P energy: -3.387 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.903 flat angles P-C4'-P energy: -3.451 tors. eta vs tors. theta energy: -4.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 448 Temperature: 0.950000 Total energy: -31.464594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.464594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.464594 (E_RNA) where: Base-Base interactions energy: -11.632 where: short stacking energy: -11.632 Base-Backbone interact. energy: -0.119 local terms energy: -19.713083 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.400 flat angles P-C4'-P energy: -0.704 tors. eta vs tors. theta energy: -2.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 448 Temperature: 1.000000 Total energy: -27.952550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.952550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.952550 (E_RNA) where: Base-Base interactions energy: -7.139 where: short stacking energy: -7.139 Base-Backbone interact. energy: -0.001 local terms energy: -20.812619 where: bonds (distance) C4'-P energy: -3.652 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -5.312 flat angles P-C4'-P energy: -4.038 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: 4, replica: 4 ===================================== Write number: 448 Temperature: 1.050000 Total energy: -34.376780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.376780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.376780 (E_RNA) where: Base-Base interactions energy: -12.377 where: short stacking energy: -12.377 Base-Backbone interact. energy: -0.100 local terms energy: -21.899846 where: bonds (distance) C4'-P energy: -4.335 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -5.179 flat angles P-C4'-P energy: -4.141 tors. eta vs tors. theta energy: -2.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 448 Temperature: 1.100000 Total energy: -28.519452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.519452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.519452 (E_RNA) where: Base-Base interactions energy: -7.473 where: short stacking energy: -7.473 Base-Backbone interact. energy: -0.000 local terms energy: -21.046072 where: bonds (distance) C4'-P energy: -4.315 bonds (distance) P-C4' energy: -5.540 flat angles C4'-P-C4' energy: -5.048 flat angles P-C4'-P energy: -4.168 tors. eta vs tors. theta energy: -1.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 448 Temperature: 1.150000 Total energy: -27.701043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.701043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.701043 (E_RNA) where: Base-Base interactions energy: -8.102 where: short stacking energy: -8.102 Base-Backbone interact. energy: -0.015 local terms energy: -19.584421 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -5.516 flat angles C4'-P-C4' energy: -5.450 flat angles P-C4'-P energy: -1.999 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: 7, replica: 9 ===================================== Write number: 448 Temperature: 1.200000 Total energy: -29.488434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.488434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.488434 (E_RNA) where: Base-Base interactions energy: -10.923 where: short stacking energy: -10.923 Base-Backbone interact. energy: -0.002 local terms energy: -18.564080 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -4.001 flat angles C4'-P-C4' energy: -4.087 flat angles P-C4'-P energy: -4.588 tors. eta vs tors. theta energy: -0.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 448 Temperature: 1.250000 Total energy: -24.839199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.839199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.839199 (E_RNA) where: Base-Base interactions energy: -6.786 where: short stacking energy: -6.786 Base-Backbone interact. energy: -0.088 local terms energy: -17.964855 where: bonds (distance) C4'-P energy: -3.723 bonds (distance) P-C4' energy: -2.138 flat angles C4'-P-C4' energy: -4.868 flat angles P-C4'-P energy: -3.374 tors. eta vs tors. theta energy: -3.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 448 Temperature: 1.300000 Total energy: -24.834427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.834427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.834427 (E_RNA) where: Base-Base interactions energy: -7.727 where: short stacking energy: -7.727 Base-Backbone interact. energy: -0.002 local terms energy: -17.105069 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -4.550 flat angles C4'-P-C4' energy: -3.921 flat angles P-C4'-P energy: -2.821 tors. eta vs tors. theta energy: -1.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 448 Temperature: 1.350000 Total energy: -28.093521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.093521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.093521 (E_RNA) where: Base-Base interactions energy: -6.538 where: short stacking energy: -6.538 Base-Backbone interact. energy: -0.000 local terms energy: -21.555411 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.130 flat angles P-C4'-P energy: -2.594 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: 1, replica: 6 ===================================== Write number: 449 Temperature: 0.900000 Total energy: -34.007940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.007940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.007940 (E_RNA) where: Base-Base interactions energy: -14.678 where: short stacking energy: -14.678 Base-Backbone interact. energy: -0.000 local terms energy: -19.330069 where: bonds (distance) C4'-P energy: -3.470 bonds (distance) P-C4' energy: -4.684 flat angles C4'-P-C4' energy: -4.262 flat angles P-C4'-P energy: -3.643 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: 2, replica: 8 ===================================== Write number: 449 Temperature: 0.950000 Total energy: -32.042400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.042400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.042400 (E_RNA) where: Base-Base interactions energy: -10.555 where: short stacking energy: -10.555 Base-Backbone interact. energy: -0.000 local terms energy: -21.487705 where: bonds (distance) C4'-P energy: -4.919 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -4.068 flat angles P-C4'-P energy: -2.968 tors. eta vs tors. theta energy: -4.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 449 Temperature: 1.000000 Total energy: -29.775127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.775127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.775127 (E_RNA) where: Base-Base interactions energy: -7.383 where: short stacking energy: -7.383 Base-Backbone interact. energy: -0.000 local terms energy: -22.391945 where: bonds (distance) C4'-P energy: -5.275 bonds (distance) P-C4' energy: -3.958 flat angles C4'-P-C4' energy: -4.378 flat angles P-C4'-P energy: -4.409 tors. eta vs tors. theta energy: -4.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 449 Temperature: 1.050000 Total energy: -26.709347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.709347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.709347 (E_RNA) where: Base-Base interactions energy: -7.027 where: short stacking energy: -7.027 Base-Backbone interact. energy: -0.000 local terms energy: -19.682667 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -4.832 flat angles C4'-P-C4' energy: -4.380 flat angles P-C4'-P energy: -3.244 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: 5, replica: 4 ===================================== Write number: 449 Temperature: 1.100000 Total energy: -27.577010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.577010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.577010 (E_RNA) where: Base-Base interactions energy: -8.379 where: short stacking energy: -8.379 Base-Backbone interact. energy: -0.000 local terms energy: -19.198104 where: bonds (distance) C4'-P energy: -5.018 bonds (distance) P-C4' energy: -5.522 flat angles C4'-P-C4' energy: -3.875 flat angles P-C4'-P energy: -1.923 tors. eta vs tors. theta energy: -2.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 449 Temperature: 1.150000 Total energy: -29.630256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.630256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.630256 (E_RNA) where: Base-Base interactions energy: -12.804 where: short stacking energy: -12.804 Base-Backbone interact. energy: -0.068 local terms energy: -16.758163 where: bonds (distance) C4'-P energy: -3.093 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.411 flat angles P-C4'-P energy: -1.261 tors. eta vs tors. theta energy: -2.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 449 Temperature: 1.200000 Total energy: -23.899105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.899105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.899105 (E_RNA) where: Base-Base interactions energy: -4.591 where: short stacking energy: -4.591 Base-Backbone interact. energy: -0.000 local terms energy: -19.308369 where: bonds (distance) C4'-P energy: -5.167 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -5.607 flat angles P-C4'-P energy: -2.310 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: 10 ===================================== Write number: 449 Temperature: 1.250000 Total energy: -31.574460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.574460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.574460 (E_RNA) where: Base-Base interactions energy: -10.393 where: short stacking energy: -10.393 Base-Backbone interact. energy: -0.300 local terms energy: -20.881539 where: bonds (distance) C4'-P energy: -4.513 bonds (distance) P-C4' energy: -5.494 flat angles C4'-P-C4' energy: -5.349 flat angles P-C4'-P energy: -2.263 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: 9, replica: 3 ===================================== Write number: 449 Temperature: 1.300000 Total energy: -23.859685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.859685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.859685 (E_RNA) where: Base-Base interactions energy: -4.790 where: short stacking energy: -4.790 Base-Backbone interact. energy: -0.000 local terms energy: -19.069055 where: bonds (distance) C4'-P energy: -2.034 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -5.435 flat angles P-C4'-P energy: -4.251 tors. eta vs tors. theta energy: -1.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 449 Temperature: 1.350000 Total energy: -24.284605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.284605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.284605 (E_RNA) where: Base-Base interactions energy: -6.888 where: short stacking energy: -6.888 Base-Backbone interact. energy: -0.027 local terms energy: -17.369571 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -2.631 flat angles P-C4'-P energy: -2.975 tors. eta vs tors. theta energy: -1.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 450 Temperature: 0.900000 Total energy: -36.716935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.716935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.716935 (E_RNA) where: Base-Base interactions energy: -13.189 where: short stacking energy: -13.189 Base-Backbone interact. energy: -0.001 local terms energy: -23.526495 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.301 flat angles P-C4'-P energy: -3.720 tors. eta vs tors. theta energy: -4.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 450 Temperature: 0.950000 Total energy: -31.244275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.244275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.244275 (E_RNA) where: Base-Base interactions energy: -10.226 where: short stacking energy: -10.226 Base-Backbone interact. energy: -0.000 local terms energy: -21.018657 where: bonds (distance) C4'-P energy: -4.285 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.663 flat angles P-C4'-P energy: -3.590 tors. eta vs tors. theta energy: -2.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 450 Temperature: 1.000000 Total energy: -33.668775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.668775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.668775 (E_RNA) where: Base-Base interactions energy: -12.989 where: short stacking energy: -12.989 Base-Backbone interact. energy: -0.090 local terms energy: -20.589897 where: bonds (distance) C4'-P energy: -4.423 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -4.865 flat angles P-C4'-P energy: -1.136 tors. eta vs tors. theta energy: -4.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 450 Temperature: 1.050000 Total energy: -28.628453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.628453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.628453 (E_RNA) where: Base-Base interactions energy: -7.758 where: short stacking energy: -7.758 Base-Backbone interact. energy: -0.088 local terms energy: -20.783077 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -3.191 flat angles P-C4'-P energy: -4.232 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: 5, replica: 9 ===================================== Write number: 450 Temperature: 1.100000 Total energy: -30.022268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.022268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.022268 (E_RNA) where: Base-Base interactions energy: -8.827 where: short stacking energy: -8.827 Base-Backbone interact. energy: -0.001 local terms energy: -21.194050 where: bonds (distance) C4'-P energy: -4.628 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -4.678 flat angles P-C4'-P energy: -2.583 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: 4 ===================================== Write number: 450 Temperature: 1.150000 Total energy: -29.402263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.402263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.402263 (E_RNA) where: Base-Base interactions energy: -8.729 where: short stacking energy: -8.729 Base-Backbone interact. energy: -0.000 local terms energy: -20.673480 where: bonds (distance) C4'-P energy: -3.537 bonds (distance) P-C4' energy: -5.305 flat angles C4'-P-C4' energy: -4.218 flat angles P-C4'-P energy: -3.184 tors. eta vs tors. theta energy: -4.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 450 Temperature: 1.200000 Total energy: -26.288495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.288495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.288495 (E_RNA) where: Base-Base interactions energy: -10.993 where: short stacking energy: -10.993 Base-Backbone interact. energy: -0.100 local terms energy: -15.195430 where: bonds (distance) C4'-P energy: -1.715 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -2.400 flat angles P-C4'-P energy: -3.029 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: 8, replica: 7 ===================================== Write number: 450 Temperature: 1.250000 Total energy: -28.294853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.294853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.294853 (E_RNA) where: Base-Base interactions energy: -7.714 where: short stacking energy: -7.714 Base-Backbone interact. energy: -0.034 local terms energy: -20.546914 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -3.923 flat angles P-C4'-P energy: -2.616 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: 9, replica: 5 ===================================== Write number: 450 Temperature: 1.300000 Total energy: -27.738237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.738237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.738237 (E_RNA) where: Base-Base interactions energy: -9.235 where: short stacking energy: -9.235 Base-Backbone interact. energy: -0.000 local terms energy: -18.503546 where: bonds (distance) C4'-P energy: -4.137 bonds (distance) P-C4' energy: -5.477 flat angles C4'-P-C4' energy: -5.345 flat angles P-C4'-P energy: 0.414 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: 10, replica: 3 ===================================== Write number: 450 Temperature: 1.350000 Total energy: -21.502637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.502637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.502637 (E_RNA) where: Base-Base interactions energy: -6.614 where: short stacking energy: -7.614 Base-Backbone interact. energy: -0.002 local terms energy: -14.887062 where: bonds (distance) C4'-P energy: -4.600 bonds (distance) P-C4' energy: -3.638 flat angles C4'-P-C4' energy: -2.980 flat angles P-C4'-P energy: -3.880 tors. eta vs tors. theta energy: 0.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 451 Temperature: 0.900000 Total energy: -34.227979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.227979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.227979 (E_RNA) where: Base-Base interactions energy: -12.334 where: short stacking energy: -12.334 Base-Backbone interact. energy: -0.000 local terms energy: -21.894099 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -5.098 flat angles P-C4'-P energy: -3.540 tors. eta vs tors. theta energy: -2.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 451 Temperature: 0.950000 Total energy: -34.399575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.399575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.399575 (E_RNA) where: Base-Base interactions energy: -12.898 where: short stacking energy: -12.898 Base-Backbone interact. energy: -0.000 local terms energy: -21.501113 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -6.256 flat angles C4'-P-C4' energy: -4.396 flat angles P-C4'-P energy: -2.973 tors. eta vs tors. theta energy: -2.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 451 Temperature: 1.000000 Total energy: -33.393885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.393885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.393885 (E_RNA) where: Base-Base interactions energy: -15.453 where: short stacking energy: -15.453 Base-Backbone interact. energy: -0.000 local terms energy: -17.940935 where: bonds (distance) C4'-P energy: -1.553 bonds (distance) P-C4' energy: -5.469 flat angles C4'-P-C4' energy: -5.147 flat angles P-C4'-P energy: -2.413 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: 2 ===================================== Write number: 451 Temperature: 1.050000 Total energy: -33.210692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.210692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.210692 (E_RNA) where: Base-Base interactions energy: -12.185 where: short stacking energy: -12.185 Base-Backbone interact. energy: -0.003 local terms energy: -21.022814 where: bonds (distance) C4'-P energy: -4.405 bonds (distance) P-C4' energy: -4.879 flat angles C4'-P-C4' energy: -4.658 flat angles P-C4'-P energy: -4.007 tors. eta vs tors. theta energy: -3.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 451 Temperature: 1.100000 Total energy: -28.454086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.454086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.454086 (E_RNA) where: Base-Base interactions energy: -11.901 where: short stacking energy: -11.901 Base-Backbone interact. energy: -0.000 local terms energy: -16.553360 where: bonds (distance) C4'-P energy: -3.127 bonds (distance) P-C4' energy: -1.808 flat angles C4'-P-C4' energy: -5.220 flat angles P-C4'-P energy: -3.359 tors. eta vs tors. theta energy: -3.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 451 Temperature: 1.150000 Total energy: -24.564340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.564340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.564340 (E_RNA) where: Base-Base interactions energy: -7.406 where: short stacking energy: -7.406 Base-Backbone interact. energy: -0.033 local terms energy: -17.124980 where: bonds (distance) C4'-P energy: -3.632 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.848 flat angles P-C4'-P energy: -2.075 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: 7, replica: 4 ===================================== Write number: 451 Temperature: 1.200000 Total energy: -27.743893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.743893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.743893 (E_RNA) where: Base-Base interactions energy: -11.239 where: short stacking energy: -11.239 Base-Backbone interact. energy: -0.010 local terms energy: -16.494502 where: bonds (distance) C4'-P energy: -2.977 bonds (distance) P-C4' energy: -1.252 flat angles C4'-P-C4' energy: -3.932 flat angles P-C4'-P energy: -3.454 tors. eta vs tors. theta energy: -4.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 451 Temperature: 1.250000 Total energy: -31.748127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.748127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.748127 (E_RNA) where: Base-Base interactions energy: -11.529 where: short stacking energy: -11.529 Base-Backbone interact. energy: -0.000 local terms energy: -20.218820 where: bonds (distance) C4'-P energy: -4.219 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.021 flat angles P-C4'-P energy: -1.803 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: 9, replica: 7 ===================================== Write number: 451 Temperature: 1.300000 Total energy: -26.595578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.595578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.595578 (E_RNA) where: Base-Base interactions energy: -9.012 where: short stacking energy: -9.012 Base-Backbone interact. energy: -0.026 local terms energy: -17.557562 where: bonds (distance) C4'-P energy: -4.369 bonds (distance) P-C4' energy: -3.525 flat angles C4'-P-C4' energy: -4.248 flat angles P-C4'-P energy: -4.646 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: 451 Temperature: 1.350000 Total energy: -23.460899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.460899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.460899 (E_RNA) where: Base-Base interactions energy: -8.843 where: short stacking energy: -9.043 Base-Backbone interact. energy: -0.001 local terms energy: -14.616885 where: bonds (distance) C4'-P energy: -3.155 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -2.825 flat angles P-C4'-P energy: -1.292 tors. eta vs tors. theta energy: -1.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 452 Temperature: 0.900000 Total energy: -39.660578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.660578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.660578 (E_RNA) where: Base-Base interactions energy: -15.789 where: short stacking energy: -15.789 Base-Backbone interact. energy: -0.000 local terms energy: -23.871471 where: bonds (distance) C4'-P energy: -4.025 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -4.982 flat angles P-C4'-P energy: -4.741 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: 2, replica: 8 ===================================== Write number: 452 Temperature: 0.950000 Total energy: -30.521835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.521835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.521835 (E_RNA) where: Base-Base interactions energy: -10.383 where: short stacking energy: -10.383 Base-Backbone interact. energy: -0.000 local terms energy: -20.138452 where: bonds (distance) C4'-P energy: -4.240 bonds (distance) P-C4' energy: -5.522 flat angles C4'-P-C4' energy: -5.431 flat angles P-C4'-P energy: -2.499 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: 3, replica: 2 ===================================== Write number: 452 Temperature: 1.000000 Total energy: -31.327213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.327213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.327213 (E_RNA) where: Base-Base interactions energy: -11.372 where: short stacking energy: -11.372 Base-Backbone interact. energy: -0.045 local terms energy: -19.909676 where: bonds (distance) C4'-P energy: -3.586 bonds (distance) P-C4' energy: -5.547 flat angles C4'-P-C4' energy: -4.712 flat angles P-C4'-P energy: -4.343 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: 4, replica: 6 ===================================== Write number: 452 Temperature: 1.050000 Total energy: -29.512867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.512867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.512867 (E_RNA) where: Base-Base interactions energy: -11.590 where: short stacking energy: -11.590 Base-Backbone interact. energy: -0.000 local terms energy: -17.922480 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.283 flat angles C4'-P-C4' energy: -4.153 flat angles P-C4'-P energy: -1.936 tors. eta vs tors. theta energy: -1.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 452 Temperature: 1.100000 Total energy: -26.742244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.742244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.742244 (E_RNA) where: Base-Base interactions energy: -9.201 where: short stacking energy: -9.201 Base-Backbone interact. energy: -0.001 local terms energy: -17.540913 where: bonds (distance) C4'-P energy: -2.825 bonds (distance) P-C4' energy: -4.642 flat angles C4'-P-C4' energy: -5.016 flat angles P-C4'-P energy: -1.148 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: 6, replica: 9 ===================================== Write number: 452 Temperature: 1.150000 Total energy: -30.090627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.090627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.090627 (E_RNA) where: Base-Base interactions energy: -10.679 where: short stacking energy: -10.679 Base-Backbone interact. energy: -0.000 local terms energy: -19.410778 where: bonds (distance) C4'-P energy: -4.663 bonds (distance) P-C4' energy: -5.305 flat angles C4'-P-C4' energy: -4.885 flat angles P-C4'-P energy: -2.038 tors. eta vs tors. theta energy: -2.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 452 Temperature: 1.200000 Total energy: -33.121738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.121738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.121738 (E_RNA) where: Base-Base interactions energy: -11.113 where: short stacking energy: -11.113 Base-Backbone interact. energy: -0.000 local terms energy: -22.008912 where: bonds (distance) C4'-P energy: -5.159 bonds (distance) P-C4' energy: -5.333 flat angles C4'-P-C4' energy: -4.356 flat angles P-C4'-P energy: -2.591 tors. eta vs tors. theta energy: -4.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 452 Temperature: 1.250000 Total energy: -26.342931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.342931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.342931 (E_RNA) where: Base-Base interactions energy: -10.665 where: short stacking energy: -10.665 Base-Backbone interact. energy: -0.001 local terms energy: -15.677159 where: bonds (distance) C4'-P energy: -4.645 bonds (distance) P-C4' energy: -3.277 flat angles C4'-P-C4' energy: -4.122 flat angles P-C4'-P energy: -2.174 tors. eta vs tors. theta energy: -1.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 452 Temperature: 1.300000 Total energy: -26.446509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.446509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.446509 (E_RNA) where: Base-Base interactions energy: -6.986 where: short stacking energy: -6.986 Base-Backbone interact. energy: -0.000 local terms energy: -19.460632 where: bonds (distance) C4'-P energy: -3.979 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -4.173 flat angles P-C4'-P energy: -3.182 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: 10, replica: 7 ===================================== Write number: 452 Temperature: 1.350000 Total energy: -26.334905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.334905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.334905 (E_RNA) where: Base-Base interactions energy: -5.956 where: short stacking energy: -5.956 Base-Backbone interact. energy: -0.000 local terms energy: -20.378903 where: bonds (distance) C4'-P energy: -2.294 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.890 flat angles P-C4'-P energy: -4.787 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: 1, replica: 1 ===================================== Write number: 453 Temperature: 0.900000 Total energy: -35.192913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.192913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.192913 (E_RNA) where: Base-Base interactions energy: -15.132 where: short stacking energy: -15.132 Base-Backbone interact. energy: -0.000 local terms energy: -20.060528 where: bonds (distance) C4'-P energy: -4.405 bonds (distance) P-C4' energy: -4.026 flat angles C4'-P-C4' energy: -3.825 flat angles P-C4'-P energy: -4.240 tors. eta vs tors. theta energy: -3.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 453 Temperature: 0.950000 Total energy: -34.198832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.198832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.198832 (E_RNA) where: Base-Base interactions energy: -12.528 where: short stacking energy: -12.528 Base-Backbone interact. energy: -0.000 local terms energy: -21.670463 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.615 flat angles P-C4'-P energy: -3.488 tors. eta vs tors. theta energy: -2.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 453 Temperature: 1.000000 Total energy: -34.415804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.415804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.415804 (E_RNA) where: Base-Base interactions energy: -11.402 where: short stacking energy: -11.402 Base-Backbone interact. energy: -0.001 local terms energy: -23.012877 where: bonds (distance) C4'-P energy: -4.609 bonds (distance) P-C4' energy: -5.308 flat angles C4'-P-C4' energy: -5.337 flat angles P-C4'-P energy: -4.476 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: 4, replica: 6 ===================================== Write number: 453 Temperature: 1.050000 Total energy: -28.646783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.646783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.646783 (E_RNA) where: Base-Base interactions energy: -10.510 where: short stacking energy: -10.510 Base-Backbone interact. energy: -0.114 local terms energy: -18.022771 where: bonds (distance) C4'-P energy: -4.227 bonds (distance) P-C4' energy: -4.681 flat angles C4'-P-C4' energy: -2.682 flat angles P-C4'-P energy: -3.757 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: 5, replica: 10 ===================================== Write number: 453 Temperature: 1.100000 Total energy: -28.185733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.185733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.185733 (E_RNA) where: Base-Base interactions energy: -8.920 where: short stacking energy: -6.997 Base-Backbone interact. energy: -0.058 local terms energy: -19.208412 where: bonds (distance) C4'-P energy: -4.493 bonds (distance) P-C4' energy: -5.065 flat angles C4'-P-C4' energy: -4.541 flat angles P-C4'-P energy: -3.925 tors. eta vs tors. theta energy: -1.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 453 Temperature: 1.150000 Total energy: -30.635643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.635643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.635643 (E_RNA) where: Base-Base interactions energy: -10.711 where: short stacking energy: -10.711 Base-Backbone interact. energy: -0.099 local terms energy: -19.826049 where: bonds (distance) C4'-P energy: -4.045 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -5.569 flat angles P-C4'-P energy: -3.084 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: 7, replica: 9 ===================================== Write number: 453 Temperature: 1.200000 Total energy: -29.717216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.717216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.717216 (E_RNA) where: Base-Base interactions energy: -10.369 where: short stacking energy: -10.369 Base-Backbone interact. energy: -0.001 local terms energy: -19.347428 where: bonds (distance) C4'-P energy: -3.768 bonds (distance) P-C4' energy: -4.646 flat angles C4'-P-C4' energy: -3.223 flat angles P-C4'-P energy: -4.617 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: 8, replica: 4 ===================================== Write number: 453 Temperature: 1.250000 Total energy: -32.769210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.769210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.769210 (E_RNA) where: Base-Base interactions energy: -8.464 where: short stacking energy: -8.464 Base-Backbone interact. energy: -0.000 local terms energy: -24.304961 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -4.019 flat angles C4'-P-C4' energy: -5.216 flat angles P-C4'-P energy: -3.884 tors. eta vs tors. theta energy: -5.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 453 Temperature: 1.300000 Total energy: -30.230768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.230768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.230768 (E_RNA) where: Base-Base interactions energy: -10.927 where: short stacking energy: -10.927 Base-Backbone interact. energy: -0.000 local terms energy: -19.303100 where: bonds (distance) C4'-P energy: -4.103 bonds (distance) P-C4' energy: -2.715 flat angles C4'-P-C4' energy: -5.343 flat angles P-C4'-P energy: -4.599 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: 10, replica: 7 ===================================== Write number: 453 Temperature: 1.350000 Total energy: -27.003134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.003134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.003134 (E_RNA) where: Base-Base interactions energy: -9.713 where: short stacking energy: -9.713 Base-Backbone interact. energy: -0.097 local terms energy: -17.193770 where: bonds (distance) C4'-P energy: -1.271 bonds (distance) P-C4' energy: -5.516 flat angles C4'-P-C4' energy: -5.155 flat angles P-C4'-P energy: -3.010 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: 1, replica: 1 ===================================== Write number: 454 Temperature: 0.900000 Total energy: -41.390198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.390198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.390198 (E_RNA) where: Base-Base interactions energy: -15.712 where: short stacking energy: -15.712 Base-Backbone interact. energy: -0.000 local terms energy: -25.678223 where: bonds (distance) C4'-P energy: -4.600 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.574 flat angles P-C4'-P energy: -4.037 tors. eta vs tors. theta energy: -6.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 454 Temperature: 0.950000 Total energy: -27.328149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.328149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.328149 (E_RNA) where: Base-Base interactions energy: -7.571 where: short stacking energy: -7.571 Base-Backbone interact. energy: 0.169 local terms energy: -19.925957 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -5.231 flat angles C4'-P-C4' energy: -3.795 flat angles P-C4'-P energy: -4.116 tors. eta vs tors. theta energy: -1.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 454 Temperature: 1.000000 Total energy: -34.522425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.522425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.522425 (E_RNA) where: Base-Base interactions energy: -12.835 where: short stacking energy: -12.835 Base-Backbone interact. energy: -0.000 local terms energy: -21.687238 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.212 flat angles P-C4'-P energy: -3.084 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: 4, replica: 8 ===================================== Write number: 454 Temperature: 1.050000 Total energy: -28.428633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.428633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.428633 (E_RNA) where: Base-Base interactions energy: -10.237 where: short stacking energy: -10.237 Base-Backbone interact. energy: -0.003 local terms energy: -18.187825 where: bonds (distance) C4'-P energy: -3.106 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -3.593 flat angles P-C4'-P energy: -4.045 tors. eta vs tors. theta energy: -1.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 454 Temperature: 1.100000 Total energy: -28.622680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.622680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.622680 (E_RNA) where: Base-Base interactions energy: -7.998 where: short stacking energy: -7.998 Base-Backbone interact. energy: -0.125 local terms energy: -20.500412 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -5.237 flat angles C4'-P-C4' energy: -4.087 flat angles P-C4'-P energy: -4.365 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: 6, replica: 10 ===================================== Write number: 454 Temperature: 1.150000 Total energy: -27.571465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.571465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.571465 (E_RNA) where: Base-Base interactions energy: -12.263 where: short stacking energy: -12.263 Base-Backbone interact. energy: -0.000 local terms energy: -15.308120 where: bonds (distance) C4'-P energy: -3.640 bonds (distance) P-C4' energy: -2.951 flat angles C4'-P-C4' energy: -4.999 flat angles P-C4'-P energy: -1.273 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: 7, replica: 4 ===================================== Write number: 454 Temperature: 1.200000 Total energy: -30.907139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.907139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.907139 (E_RNA) where: Base-Base interactions energy: -9.998 where: short stacking energy: -9.998 Base-Backbone interact. energy: -0.097 local terms energy: -20.812640 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -4.942 flat angles C4'-P-C4' energy: -4.908 flat angles P-C4'-P energy: -3.521 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: 8, replica: 9 ===================================== Write number: 454 Temperature: 1.250000 Total energy: -25.791574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.791574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.791574 (E_RNA) where: Base-Base interactions energy: -9.790 where: short stacking energy: -9.790 Base-Backbone interact. energy: -0.098 local terms energy: -15.903509 where: bonds (distance) C4'-P energy: -2.016 bonds (distance) P-C4' energy: -4.427 flat angles C4'-P-C4' energy: -3.380 flat angles P-C4'-P energy: -3.909 tors. eta vs tors. theta energy: -2.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 454 Temperature: 1.300000 Total energy: -28.043738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.043738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.043738 (E_RNA) where: Base-Base interactions energy: -8.036 where: short stacking energy: -8.036 Base-Backbone interact. energy: -0.000 local terms energy: -20.007624 where: bonds (distance) C4'-P energy: -4.547 bonds (distance) P-C4' energy: -5.333 flat angles C4'-P-C4' energy: -3.831 flat angles P-C4'-P energy: -2.304 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: 10, replica: 3 ===================================== Write number: 454 Temperature: 1.350000 Total energy: -28.049314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.049314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.049314 (E_RNA) where: Base-Base interactions energy: -8.672 where: short stacking energy: -8.672 Base-Backbone interact. energy: -0.002 local terms energy: -19.376148 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.241 flat angles P-C4'-P energy: -2.477 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: 455 Temperature: 0.900000 Total energy: -36.387134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.387134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.387134 (E_RNA) where: Base-Base interactions energy: -14.004 where: short stacking energy: -14.004 Base-Backbone interact. energy: -0.000 local terms energy: -22.383288 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.460 flat angles P-C4'-P energy: -3.557 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: 6 ===================================== Write number: 455 Temperature: 0.950000 Total energy: -35.881877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.881877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.881877 (E_RNA) where: Base-Base interactions energy: -13.634 where: short stacking energy: -13.634 Base-Backbone interact. energy: -0.000 local terms energy: -22.247665 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -4.148 flat angles P-C4'-P energy: -2.144 tors. eta vs tors. theta energy: -5.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 455 Temperature: 1.000000 Total energy: -32.651624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.651624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.651624 (E_RNA) where: Base-Base interactions energy: -9.890 where: short stacking energy: -9.890 Base-Backbone interact. energy: -0.093 local terms energy: -22.667933 where: bonds (distance) C4'-P energy: -4.157 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -4.973 flat angles P-C4'-P energy: -3.788 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: 4, replica: 5 ===================================== Write number: 455 Temperature: 1.050000 Total energy: -28.908675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.908675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.908675 (E_RNA) where: Base-Base interactions energy: -9.418 where: short stacking energy: -9.418 Base-Backbone interact. energy: -0.000 local terms energy: -19.490557 where: bonds (distance) C4'-P energy: -2.887 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.584 flat angles P-C4'-P energy: -4.053 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: 5, replica: 8 ===================================== Write number: 455 Temperature: 1.100000 Total energy: -33.176780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.176780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.176780 (E_RNA) where: Base-Base interactions energy: -10.472 where: short stacking energy: -10.472 Base-Backbone interact. energy: -0.006 local terms energy: -22.698801 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.305 flat angles P-C4'-P energy: -4.018 tors. eta vs tors. theta energy: -3.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 455 Temperature: 1.150000 Total energy: -28.700323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.700323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.700323 (E_RNA) where: Base-Base interactions energy: -6.658 where: short stacking energy: -6.658 Base-Backbone interact. energy: -0.003 local terms energy: -22.039114 where: bonds (distance) C4'-P energy: -4.485 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -4.937 flat angles P-C4'-P energy: -4.202 tors. eta vs tors. theta energy: -2.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 455 Temperature: 1.200000 Total energy: -30.749382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.749382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.749382 (E_RNA) where: Base-Base interactions energy: -7.944 where: short stacking energy: -7.944 Base-Backbone interact. energy: -0.000 local terms energy: -22.805203 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -4.734 flat angles P-C4'-P energy: -3.162 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: 8, replica: 7 ===================================== Write number: 455 Temperature: 1.250000 Total energy: -27.095848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.095848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.095848 (E_RNA) where: Base-Base interactions energy: -8.708 where: short stacking energy: -8.708 Base-Backbone interact. energy: -0.000 local terms energy: -18.388042 where: bonds (distance) C4'-P energy: -3.118 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -4.629 flat angles P-C4'-P energy: -1.472 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: 9, replica: 9 ===================================== Write number: 455 Temperature: 1.300000 Total energy: -25.881504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.881504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.881504 (E_RNA) where: Base-Base interactions energy: -5.715 where: short stacking energy: -5.715 Base-Backbone interact. energy: -0.000 local terms energy: -20.166482 where: bonds (distance) C4'-P energy: -4.493 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -4.957 flat angles P-C4'-P energy: -4.179 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: 10, replica: 3 ===================================== Write number: 455 Temperature: 1.350000 Total energy: -24.797893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.797893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.797893 (E_RNA) where: Base-Base interactions energy: -7.251 where: short stacking energy: -7.251 Base-Backbone interact. energy: -0.000 local terms energy: -17.546686 where: bonds (distance) C4'-P energy: -5.498 bonds (distance) P-C4' energy: -5.258 flat angles C4'-P-C4' energy: -3.755 flat angles P-C4'-P energy: -2.337 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: 1, replica: 6 ===================================== Write number: 456 Temperature: 0.900000 Total energy: -33.536778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.536778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.536778 (E_RNA) where: Base-Base interactions energy: -11.051 where: short stacking energy: -11.051 Base-Backbone interact. energy: -0.028 local terms energy: -22.458329 where: bonds (distance) C4'-P energy: -5.196 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -4.254 flat angles P-C4'-P energy: -3.854 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: 2, replica: 1 ===================================== Write number: 456 Temperature: 0.950000 Total energy: -36.687283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.687283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.687283 (E_RNA) where: Base-Base interactions energy: -13.339 where: short stacking energy: -13.339 Base-Backbone interact. energy: -0.000 local terms energy: -23.347950 where: bonds (distance) C4'-P energy: -4.529 bonds (distance) P-C4' energy: -5.522 flat angles C4'-P-C4' energy: -5.296 flat angles P-C4'-P energy: -4.571 tors. eta vs tors. theta energy: -3.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 456 Temperature: 1.000000 Total energy: -38.595193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.595193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.595193 (E_RNA) where: Base-Base interactions energy: -14.458 where: short stacking energy: -14.458 Base-Backbone interact. energy: -0.000 local terms energy: -24.137017 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.293 flat angles P-C4'-P energy: -1.502 tors. eta vs tors. theta energy: -5.838 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: 2 ===================================== Write number: 456 Temperature: 1.050000 Total energy: -28.884216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.884216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.884216 (E_RNA) where: Base-Base interactions energy: -8.404 where: short stacking energy: -8.404 Base-Backbone interact. energy: -0.067 local terms energy: -20.413383 where: bonds (distance) C4'-P energy: -4.600 bonds (distance) P-C4' energy: -5.333 flat angles C4'-P-C4' energy: -4.699 flat angles P-C4'-P energy: -3.935 tors. eta vs tors. theta energy: -1.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 456 Temperature: 1.100000 Total energy: -32.472734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.472734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.472734 (E_RNA) where: Base-Base interactions energy: -11.052 where: short stacking energy: -11.052 Base-Backbone interact. energy: -0.043 local terms energy: -21.378040 where: bonds (distance) C4'-P energy: -4.911 bonds (distance) P-C4' energy: -5.522 flat angles C4'-P-C4' energy: -4.495 flat angles P-C4'-P energy: -3.239 tors. eta vs tors. theta energy: -3.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 456 Temperature: 1.150000 Total energy: -28.233305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.233305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.233305 (E_RNA) where: Base-Base interactions energy: -12.013 where: short stacking energy: -12.013 Base-Backbone interact. energy: -0.006 local terms energy: -16.214847 where: bonds (distance) C4'-P energy: -5.018 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -3.542 flat angles P-C4'-P energy: -0.701 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: 7, replica: 7 ===================================== Write number: 456 Temperature: 1.200000 Total energy: -26.539554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.539554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.539554 (E_RNA) where: Base-Base interactions energy: -6.585 where: short stacking energy: -6.585 Base-Backbone interact. energy: -0.015 local terms energy: -19.939693 where: bonds (distance) C4'-P energy: -4.663 bonds (distance) P-C4' energy: -5.566 flat angles C4'-P-C4' energy: -4.746 flat angles P-C4'-P energy: -4.069 tors. eta vs tors. theta energy: -0.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 456 Temperature: 1.250000 Total energy: -26.098326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.098326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.098326 (E_RNA) where: Base-Base interactions energy: -7.342 where: short stacking energy: -7.795 Base-Backbone interact. energy: -0.009 local terms energy: -18.747566 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -3.025 flat angles P-C4'-P energy: -2.611 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: 9, replica: 3 ===================================== Write number: 456 Temperature: 1.300000 Total energy: -27.047885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.047885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.047885 (E_RNA) where: Base-Base interactions energy: -6.068 where: short stacking energy: -6.068 Base-Backbone interact. energy: -0.000 local terms energy: -20.979415 where: bonds (distance) C4'-P energy: -4.600 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.695 flat angles P-C4'-P energy: -1.841 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: 10, replica: 9 ===================================== Write number: 456 Temperature: 1.350000 Total energy: -24.949160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.949160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.949160 (E_RNA) where: Base-Base interactions energy: -6.744 where: short stacking energy: -3.481 Base-Backbone interact. energy: -0.004 local terms energy: -18.201507 where: bonds (distance) C4'-P energy: -4.600 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -5.712 flat angles P-C4'-P energy: -3.216 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: 6 ===================================== Write number: 457 Temperature: 0.900000 Total energy: -30.291103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.291103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.291103 (E_RNA) where: Base-Base interactions energy: -10.568 where: short stacking energy: -10.568 Base-Backbone interact. energy: -0.016 local terms energy: -19.707028 where: bonds (distance) C4'-P energy: -4.654 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -3.795 flat angles P-C4'-P energy: -4.066 tors. eta vs tors. theta energy: -0.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 457 Temperature: 0.950000 Total energy: -25.998355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.998355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.998355 (E_RNA) where: Base-Base interactions energy: -8.766 where: short stacking energy: -8.766 Base-Backbone interact. energy: -0.022 local terms energy: -17.210328 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.436 flat angles P-C4'-P energy: -1.531 tors. eta vs tors. theta energy: 1.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 457 Temperature: 1.000000 Total energy: -30.359511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.359511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.359511 (E_RNA) where: Base-Base interactions energy: -11.435 where: short stacking energy: -11.435 Base-Backbone interact. energy: -0.157 local terms energy: -18.767455 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -3.622 flat angles P-C4'-P energy: -2.057 tors. eta vs tors. theta energy: -2.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 457 Temperature: 1.050000 Total energy: -34.009102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.009102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.009102 (E_RNA) where: Base-Base interactions energy: -11.070 where: short stacking energy: -11.070 Base-Backbone interact. energy: -0.000 local terms energy: -22.938846 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -5.278 flat angles P-C4'-P energy: -4.207 tors. eta vs tors. theta energy: -2.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 457 Temperature: 1.100000 Total energy: -29.186963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.186963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.186963 (E_RNA) where: Base-Base interactions energy: -10.204 where: short stacking energy: -10.204 Base-Backbone interact. energy: -0.001 local terms energy: -18.981921 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -5.349 flat angles P-C4'-P energy: -2.058 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: 6, replica: 7 ===================================== Write number: 457 Temperature: 1.150000 Total energy: -30.520087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.520087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.520087 (E_RNA) where: Base-Base interactions energy: -11.812 where: short stacking energy: -11.812 Base-Backbone interact. energy: -0.000 local terms energy: -18.708307 where: bonds (distance) C4'-P energy: -3.536 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -4.536 flat angles P-C4'-P energy: -1.007 tors. eta vs tors. theta energy: -4.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 457 Temperature: 1.200000 Total energy: -25.067725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.067725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.067725 (E_RNA) where: Base-Base interactions energy: -5.838 where: short stacking energy: -5.838 Base-Backbone interact. energy: -0.005 local terms energy: -19.224163 where: bonds (distance) C4'-P energy: -4.307 bonds (distance) P-C4' energy: -4.875 flat angles C4'-P-C4' energy: -4.625 flat angles P-C4'-P energy: -3.226 tors. eta vs tors. theta energy: -2.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 457 Temperature: 1.250000 Total energy: -30.098534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.098534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.098534 (E_RNA) where: Base-Base interactions energy: -12.159 where: short stacking energy: -12.159 Base-Backbone interact. energy: -0.003 local terms energy: -17.936426 where: bonds (distance) C4'-P energy: -3.305 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -3.780 flat angles P-C4'-P energy: -2.879 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: 9, replica: 4 ===================================== Write number: 457 Temperature: 1.300000 Total energy: -27.710172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.710172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.710172 (E_RNA) where: Base-Base interactions energy: -6.339 where: short stacking energy: -6.339 Base-Backbone interact. energy: -0.002 local terms energy: -21.369130 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -4.852 flat angles P-C4'-P energy: -3.488 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: 10, replica: 9 ===================================== Write number: 457 Temperature: 1.350000 Total energy: -26.007520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.007520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.007520 (E_RNA) where: Base-Base interactions energy: -6.820 where: short stacking energy: -6.820 Base-Backbone interact. energy: -0.000 local terms energy: -19.187017 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -2.959 flat angles P-C4'-P energy: -1.990 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: 1, replica: 6 ===================================== Write number: 458 Temperature: 0.900000 Total energy: -32.944602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.944602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.944602 (E_RNA) where: Base-Base interactions energy: -12.019 where: short stacking energy: -12.019 Base-Backbone interact. energy: -0.003 local terms energy: -20.922142 where: bonds (distance) C4'-P energy: -5.196 bonds (distance) P-C4' energy: -5.494 flat angles C4'-P-C4' energy: -4.272 flat angles P-C4'-P energy: -4.372 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: 2, replica: 5 ===================================== Write number: 458 Temperature: 0.950000 Total energy: -35.972900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.972900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.972900 (E_RNA) where: Base-Base interactions energy: -16.275 where: short stacking energy: -16.275 Base-Backbone interact. energy: -0.001 local terms energy: -19.696661 where: bonds (distance) C4'-P energy: -4.297 bonds (distance) P-C4' energy: -5.569 flat angles C4'-P-C4' energy: -3.760 flat angles P-C4'-P energy: -3.699 tors. eta vs tors. theta energy: -2.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 458 Temperature: 1.000000 Total energy: -28.028181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.028181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.028181 (E_RNA) where: Base-Base interactions energy: -7.465 where: short stacking energy: -7.465 Base-Backbone interact. energy: -0.051 local terms energy: -20.512808 where: bonds (distance) C4'-P energy: -3.453 bonds (distance) P-C4' energy: -4.603 flat angles C4'-P-C4' energy: -4.710 flat angles P-C4'-P energy: -3.762 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: 4, replica: 1 ===================================== Write number: 458 Temperature: 1.050000 Total energy: -29.630261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.630261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.630261 (E_RNA) where: Base-Base interactions energy: -9.692 where: short stacking energy: -9.692 Base-Backbone interact. energy: -0.001 local terms energy: -19.936957 where: bonds (distance) C4'-P energy: -2.744 bonds (distance) P-C4' energy: -4.942 flat angles C4'-P-C4' energy: -3.851 flat angles P-C4'-P energy: -3.892 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: 5, replica: 7 ===================================== Write number: 458 Temperature: 1.100000 Total energy: -32.048513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.048513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.048513 (E_RNA) where: Base-Base interactions energy: -12.631 where: short stacking energy: -12.631 Base-Backbone interact. energy: -0.000 local terms energy: -19.417061 where: bonds (distance) C4'-P energy: -5.275 bonds (distance) P-C4' energy: -4.599 flat angles C4'-P-C4' energy: -3.895 flat angles P-C4'-P energy: -2.140 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: 6, replica: 2 ===================================== Write number: 458 Temperature: 1.150000 Total energy: -27.259886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.259886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.259886 (E_RNA) where: Base-Base interactions energy: -6.183 where: short stacking energy: -6.183 Base-Backbone interact. energy: -0.010 local terms energy: -21.067835 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.458 flat angles P-C4'-P energy: -4.668 tors. eta vs tors. theta energy: -0.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 458 Temperature: 1.200000 Total energy: -24.563757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.563757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.563757 (E_RNA) where: Base-Base interactions energy: -10.610 where: short stacking energy: -10.610 Base-Backbone interact. energy: -0.007 local terms energy: -13.947479 where: bonds (distance) C4'-P energy: -4.679 bonds (distance) P-C4' energy: -1.550 flat angles C4'-P-C4' energy: -4.299 flat angles P-C4'-P energy: -2.794 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: 8, replica: 10 ===================================== Write number: 458 Temperature: 1.250000 Total energy: -25.872263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.872263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.872263 (E_RNA) where: Base-Base interactions energy: -6.916 where: short stacking energy: -6.916 Base-Backbone interact. energy: -0.005 local terms energy: -18.950587 where: bonds (distance) C4'-P energy: -4.235 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.510 flat angles P-C4'-P energy: -3.557 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: 9, replica: 4 ===================================== Write number: 458 Temperature: 1.300000 Total energy: -27.468170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.468170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.468170 (E_RNA) where: Base-Base interactions energy: -7.483 where: short stacking energy: -7.483 Base-Backbone interact. energy: -0.084 local terms energy: -19.901180 where: bonds (distance) C4'-P energy: -4.132 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -3.948 flat angles P-C4'-P energy: -4.019 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: 9 ===================================== Write number: 458 Temperature: 1.350000 Total energy: -25.820896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.820896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.820896 (E_RNA) where: Base-Base interactions energy: -11.032 where: short stacking energy: -11.032 Base-Backbone interact. energy: -0.104 local terms energy: -14.684559 where: bonds (distance) C4'-P energy: -1.992 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -3.770 flat angles P-C4'-P energy: -0.099 tors. eta vs tors. theta energy: -2.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 459 Temperature: 0.900000 Total energy: -33.794157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.794157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.794157 (E_RNA) where: Base-Base interactions energy: -12.761 where: short stacking energy: -12.761 Base-Backbone interact. energy: -0.043 local terms energy: -20.990165 where: bonds (distance) C4'-P energy: -4.111 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.708 flat angles P-C4'-P energy: -3.288 tors. eta vs tors. theta energy: -2.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 459 Temperature: 0.950000 Total energy: -35.553409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.553409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.553409 (E_RNA) where: Base-Base interactions energy: -14.945 where: short stacking energy: -14.945 Base-Backbone interact. energy: -0.000 local terms energy: -20.608341 where: bonds (distance) C4'-P energy: -4.485 bonds (distance) P-C4' energy: -2.755 flat angles C4'-P-C4' energy: -4.737 flat angles P-C4'-P energy: -3.740 tors. eta vs tors. theta energy: -4.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 459 Temperature: 1.000000 Total energy: -32.576671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.576671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.576671 (E_RNA) where: Base-Base interactions energy: -13.460 where: short stacking energy: -13.460 Base-Backbone interact. energy: -0.026 local terms energy: -19.090726 where: bonds (distance) C4'-P energy: -4.600 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.079 flat angles P-C4'-P energy: -2.487 tors. eta vs tors. theta energy: -1.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 459 Temperature: 1.050000 Total energy: -31.438109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.438109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.438109 (E_RNA) where: Base-Base interactions energy: -14.619 where: short stacking energy: -14.619 Base-Backbone interact. energy: -0.000 local terms energy: -16.819015 where: bonds (distance) C4'-P energy: -4.493 bonds (distance) P-C4' energy: -2.156 flat angles C4'-P-C4' energy: -4.429 flat angles P-C4'-P energy: -2.382 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: 5, replica: 7 ===================================== Write number: 459 Temperature: 1.100000 Total energy: -27.190666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.190666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.190666 (E_RNA) where: Base-Base interactions energy: -7.726 where: short stacking energy: -7.726 Base-Backbone interact. energy: -0.003 local terms energy: -19.461576 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -5.100 flat angles C4'-P-C4' energy: -5.431 flat angles P-C4'-P energy: -3.345 tors. eta vs tors. theta energy: -0.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 459 Temperature: 1.150000 Total energy: -29.593394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.593394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.593394 (E_RNA) where: Base-Base interactions energy: -8.480 where: short stacking energy: -8.480 Base-Backbone interact. energy: -0.065 local terms energy: -21.048650 where: bonds (distance) C4'-P energy: -4.173 bonds (distance) P-C4' energy: -4.702 flat angles C4'-P-C4' energy: -5.311 flat angles P-C4'-P energy: -4.621 tors. eta vs tors. theta energy: -2.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 459 Temperature: 1.200000 Total energy: -30.076832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.076832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.076832 (E_RNA) where: Base-Base interactions energy: -11.038 where: short stacking energy: -11.038 Base-Backbone interact. energy: -0.005 local terms energy: -19.033634 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -4.681 flat angles C4'-P-C4' energy: -2.674 flat angles P-C4'-P energy: -3.921 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: 8, replica: 4 ===================================== Write number: 459 Temperature: 1.250000 Total energy: -26.234892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.234892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.234892 (E_RNA) where: Base-Base interactions energy: -11.371 where: short stacking energy: -11.371 Base-Backbone interact. energy: -0.020 local terms energy: -14.844234 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -2.820 flat angles C4'-P-C4' energy: -5.103 flat angles P-C4'-P energy: -1.956 tors. eta vs tors. theta energy: -0.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 459 Temperature: 1.300000 Total energy: -23.307584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.307584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.307584 (E_RNA) where: Base-Base interactions energy: -4.002 where: short stacking energy: -4.002 Base-Backbone interact. energy: -0.014 local terms energy: -19.291229 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.764 flat angles P-C4'-P energy: -2.090 tors. eta vs tors. theta energy: -0.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 459 Temperature: 1.350000 Total energy: -24.798380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.798380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.798380 (E_RNA) where: Base-Base interactions energy: -4.467 where: short stacking energy: -4.467 Base-Backbone interact. energy: -0.000 local terms energy: -20.331089 where: bonds (distance) C4'-P energy: -4.016 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -3.812 flat angles P-C4'-P energy: -3.562 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: 1, replica: 8 ===================================== Write number: 460 Temperature: 0.900000 Total energy: -35.497650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.497650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.497650 (E_RNA) where: Base-Base interactions energy: -11.731 where: short stacking energy: -11.731 Base-Backbone interact. energy: -0.000 local terms energy: -23.766284 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.378 flat angles P-C4'-P energy: -4.420 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: 6 ===================================== Write number: 460 Temperature: 0.950000 Total energy: -38.533907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.533907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.533907 (E_RNA) where: Base-Base interactions energy: -14.479 where: short stacking energy: -14.479 Base-Backbone interact. energy: -0.000 local terms energy: -24.055057 where: bonds (distance) C4'-P energy: -4.111 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -5.481 flat angles P-C4'-P energy: -1.724 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: 3, replica: 1 ===================================== Write number: 460 Temperature: 1.000000 Total energy: -28.167983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.167983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.167983 (E_RNA) where: Base-Base interactions energy: -9.106 where: short stacking energy: -9.106 Base-Backbone interact. energy: -0.010 local terms energy: -19.052283 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.540 flat angles C4'-P-C4' energy: -3.844 flat angles P-C4'-P energy: -3.443 tors. eta vs tors. theta energy: -1.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 460 Temperature: 1.050000 Total energy: -28.872928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.872928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.872928 (E_RNA) where: Base-Base interactions energy: -8.037 where: short stacking energy: -8.037 Base-Backbone interact. energy: -0.041 local terms energy: -20.795402 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -4.655 flat angles P-C4'-P energy: -3.188 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: 2 ===================================== Write number: 460 Temperature: 1.100000 Total energy: -33.110800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.110800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.110800 (E_RNA) where: Base-Base interactions energy: -10.557 where: short stacking energy: -10.557 Base-Backbone interact. energy: -0.000 local terms energy: -22.554097 where: bonds (distance) C4'-P energy: -5.018 bonds (distance) P-C4' energy: -4.252 flat angles C4'-P-C4' energy: -5.362 flat angles P-C4'-P energy: -1.854 tors. eta vs tors. theta energy: -6.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 460 Temperature: 1.150000 Total energy: -26.461848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.461848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.461848 (E_RNA) where: Base-Base interactions energy: -8.559 where: short stacking energy: -8.559 Base-Backbone interact. energy: -0.027 local terms energy: -17.876207 where: bonds (distance) C4'-P energy: -3.561 bonds (distance) P-C4' energy: -3.789 flat angles C4'-P-C4' energy: -4.550 flat angles P-C4'-P energy: -3.882 tors. eta vs tors. theta energy: -2.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 460 Temperature: 1.200000 Total energy: -25.821513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.821513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.821513 (E_RNA) where: Base-Base interactions energy: -8.413 where: short stacking energy: -8.413 Base-Backbone interact. energy: -0.001 local terms energy: -17.408483 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -3.988 flat angles P-C4'-P energy: -3.344 tors. eta vs tors. theta energy: 0.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 460 Temperature: 1.250000 Total energy: -25.485720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.485720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.485720 (E_RNA) where: Base-Base interactions energy: -3.152 where: short stacking energy: -3.152 Base-Backbone interact. energy: -0.000 local terms energy: -22.333221 where: bonds (distance) C4'-P energy: -4.803 bonds (distance) P-C4' energy: -4.385 flat angles C4'-P-C4' energy: -5.779 flat angles P-C4'-P energy: -3.340 tors. eta vs tors. theta energy: -4.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 460 Temperature: 1.300000 Total energy: -29.973081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.973081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.973081 (E_RNA) where: Base-Base interactions energy: -11.181 where: short stacking energy: -11.181 Base-Backbone interact. energy: -0.000 local terms energy: -18.791885 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.812 flat angles P-C4'-P energy: -2.564 tors. eta vs tors. theta energy: -1.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 460 Temperature: 1.350000 Total energy: -22.634571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.634571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.634571 (E_RNA) where: Base-Base interactions energy: -5.090 where: short stacking energy: -5.090 Base-Backbone interact. energy: -0.011 local terms energy: -17.533430 where: bonds (distance) C4'-P energy: -3.809 bonds (distance) P-C4' energy: -4.872 flat angles C4'-P-C4' energy: -4.640 flat angles P-C4'-P energy: -3.840 tors. eta vs tors. theta energy: -0.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 461 Temperature: 0.900000 Total energy: -27.766574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.766574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.766574 (E_RNA) where: Base-Base interactions energy: -6.098 where: short stacking energy: -6.098 Base-Backbone interact. energy: -0.003 local terms energy: -21.665374 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.654 flat angles P-C4'-P energy: -3.907 tors. eta vs tors. theta energy: -1.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 461 Temperature: 0.950000 Total energy: -38.953428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.953428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.953428 (E_RNA) where: Base-Base interactions energy: -14.078 where: short stacking energy: -14.078 Base-Backbone interact. energy: -0.000 local terms energy: -24.874958 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -4.112 flat angles P-C4'-P energy: -4.930 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: 6 ===================================== Write number: 461 Temperature: 1.000000 Total energy: -32.677545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.677545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.677545 (E_RNA) where: Base-Base interactions energy: -12.128 where: short stacking energy: -12.128 Base-Backbone interact. energy: -0.080 local terms energy: -20.469875 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -3.301 flat angles P-C4'-P energy: -3.128 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: 4, replica: 5 ===================================== Write number: 461 Temperature: 1.050000 Total energy: -34.176689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.176689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.176689 (E_RNA) where: Base-Base interactions energy: -14.263 where: short stacking energy: -14.263 Base-Backbone interact. energy: -0.000 local terms energy: -19.913413 where: bonds (distance) C4'-P energy: -4.795 bonds (distance) P-C4' energy: -4.684 flat angles C4'-P-C4' energy: -3.711 flat angles P-C4'-P energy: -3.118 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: 5, replica: 2 ===================================== Write number: 461 Temperature: 1.100000 Total energy: -29.012463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.012463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.012463 (E_RNA) where: Base-Base interactions energy: -8.075 where: short stacking energy: -8.075 Base-Backbone interact. energy: -0.012 local terms energy: -20.925134 where: bonds (distance) C4'-P energy: -5.027 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -4.462 flat angles P-C4'-P energy: -3.874 tors. eta vs tors. theta energy: -1.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 461 Temperature: 1.150000 Total energy: -29.157439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.157439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.157439 (E_RNA) where: Base-Base interactions energy: -11.236 where: short stacking energy: -11.236 Base-Backbone interact. energy: -0.043 local terms energy: -17.879177 where: bonds (distance) C4'-P energy: -3.676 bonds (distance) P-C4' energy: -6.020 flat angles C4'-P-C4' energy: -2.778 flat angles P-C4'-P energy: -4.192 tors. eta vs tors. theta energy: -1.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 461 Temperature: 1.200000 Total energy: -24.499610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.499610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.499610 (E_RNA) where: Base-Base interactions energy: -5.122 where: short stacking energy: -5.122 Base-Backbone interact. energy: -0.003 local terms energy: -19.374900 where: bonds (distance) C4'-P energy: -4.786 bonds (distance) P-C4' energy: -5.463 flat angles C4'-P-C4' energy: -4.496 flat angles P-C4'-P energy: -2.365 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: 8, replica: 9 ===================================== Write number: 461 Temperature: 1.250000 Total energy: -29.346433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.346433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.346433 (E_RNA) where: Base-Base interactions energy: -11.435 where: short stacking energy: -11.435 Base-Backbone interact. energy: -0.000 local terms energy: -17.911492 where: bonds (distance) C4'-P energy: -3.615 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -2.907 flat angles P-C4'-P energy: -4.183 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: 9, replica: 3 ===================================== Write number: 461 Temperature: 1.300000 Total energy: -27.035468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.035468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.035468 (E_RNA) where: Base-Base interactions energy: -7.433 where: short stacking energy: -7.433 Base-Backbone interact. energy: -0.000 local terms energy: -19.602931 where: bonds (distance) C4'-P energy: -2.455 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.264 flat angles P-C4'-P energy: -4.400 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: 10 ===================================== Write number: 461 Temperature: 1.350000 Total energy: -25.179867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.179867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.179867 (E_RNA) where: Base-Base interactions energy: -6.214 where: short stacking energy: -6.214 Base-Backbone interact. energy: -0.074 local terms energy: -18.892388 where: bonds (distance) C4'-P energy: -4.628 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.084 flat angles P-C4'-P energy: -2.109 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: 1 ===================================== Write number: 462 Temperature: 0.900000 Total energy: -32.452536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.452536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.452536 (E_RNA) where: Base-Base interactions energy: -10.146 where: short stacking energy: -10.146 Base-Backbone interact. energy: -0.001 local terms energy: -22.305851 where: bonds (distance) C4'-P energy: -4.981 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -5.348 flat angles P-C4'-P energy: -3.374 tors. eta vs tors. theta energy: -2.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 462 Temperature: 0.950000 Total energy: -36.134418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.134418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.134418 (E_RNA) where: Base-Base interactions energy: -12.784 where: short stacking energy: -12.784 Base-Backbone interact. energy: -0.000 local terms energy: -23.350492 where: bonds (distance) C4'-P energy: -5.275 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -5.072 flat angles P-C4'-P energy: -3.288 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: 3, replica: 5 ===================================== Write number: 462 Temperature: 1.000000 Total energy: -32.643746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.643746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.643746 (E_RNA) where: Base-Base interactions energy: -11.311 where: short stacking energy: -11.311 Base-Backbone interact. energy: -0.001 local terms energy: -21.331980 where: bonds (distance) C4'-P energy: -2.560 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.148 flat angles P-C4'-P energy: -4.094 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: 4, replica: 6 ===================================== Write number: 462 Temperature: 1.050000 Total energy: -30.324228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.324228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.324228 (E_RNA) where: Base-Base interactions energy: -12.292 where: short stacking energy: -12.292 Base-Backbone interact. energy: 0.542 local terms energy: -18.573908 where: bonds (distance) C4'-P energy: -2.932 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -5.624 flat angles P-C4'-P energy: -2.697 tors. eta vs tors. theta energy: -1.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 462 Temperature: 1.100000 Total energy: -28.161202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.161202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.161202 (E_RNA) where: Base-Base interactions energy: -12.504 where: short stacking energy: -12.504 Base-Backbone interact. energy: -0.000 local terms energy: -15.657037 where: bonds (distance) C4'-P energy: -3.768 bonds (distance) P-C4' energy: -3.473 flat angles C4'-P-C4' energy: -4.834 flat angles P-C4'-P energy: -0.393 tors. eta vs tors. theta energy: -3.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 462 Temperature: 1.150000 Total energy: -32.063424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.063424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.063424 (E_RNA) where: Base-Base interactions energy: -10.916 where: short stacking energy: -10.916 Base-Backbone interact. energy: -0.000 local terms energy: -21.147696 where: bonds (distance) C4'-P energy: -4.485 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -3.939 flat angles P-C4'-P energy: -3.788 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: 7, replica: 7 ===================================== Write number: 462 Temperature: 1.200000 Total energy: -33.033080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.033080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.033080 (E_RNA) where: Base-Base interactions energy: -13.114 where: short stacking energy: -13.114 Base-Backbone interact. energy: 0.321 local terms energy: -20.240950 where: bonds (distance) C4'-P energy: -2.708 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.433 flat angles P-C4'-P energy: -4.094 tors. eta vs tors. theta energy: -2.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 462 Temperature: 1.250000 Total energy: -26.930844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.930844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.930844 (E_RNA) where: Base-Base interactions energy: -8.811 where: short stacking energy: -8.811 Base-Backbone interact. energy: -0.000 local terms energy: -18.119667 where: bonds (distance) C4'-P energy: -4.235 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -5.312 flat angles P-C4'-P energy: -0.551 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: 9, replica: 3 ===================================== Write number: 462 Temperature: 1.300000 Total energy: -27.575008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.575008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.575008 (E_RNA) where: Base-Base interactions energy: -9.169 where: short stacking energy: -9.169 Base-Backbone interact. energy: -0.099 local terms energy: -18.306686 where: bonds (distance) C4'-P energy: -4.451 bonds (distance) P-C4' energy: -3.783 flat angles C4'-P-C4' energy: -4.970 flat angles P-C4'-P energy: -3.677 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: 10, replica: 10 ===================================== Write number: 462 Temperature: 1.350000 Total energy: -26.965858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.965858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.965858 (E_RNA) where: Base-Base interactions energy: -11.076 where: short stacking energy: -11.076 Base-Backbone interact. energy: -0.000 local terms energy: -15.889908 where: bonds (distance) C4'-P energy: -3.925 bonds (distance) P-C4' energy: -4.476 flat angles C4'-P-C4' energy: -5.696 flat angles P-C4'-P energy: -2.842 tors. eta vs tors. theta energy: 1.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 463 Temperature: 0.900000 Total energy: -32.369943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.369943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.369943 (E_RNA) where: Base-Base interactions energy: -11.362 where: short stacking energy: -11.362 Base-Backbone interact. energy: -0.024 local terms energy: -20.983741 where: bonds (distance) C4'-P energy: -4.919 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.955 flat angles P-C4'-P energy: -4.213 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: 2, replica: 8 ===================================== Write number: 463 Temperature: 0.950000 Total energy: -36.227668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.227668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.227668 (E_RNA) where: Base-Base interactions energy: -13.120 where: short stacking energy: -13.120 Base-Backbone interact. energy: -0.000 local terms energy: -23.107655 where: bonds (distance) C4'-P energy: -4.628 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.363 flat angles P-C4'-P energy: -2.836 tors. eta vs tors. theta energy: -4.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 463 Temperature: 1.000000 Total energy: -29.754153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.754153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.754153 (E_RNA) where: Base-Base interactions energy: -10.346 where: short stacking energy: -10.346 Base-Backbone interact. energy: -0.089 local terms energy: -19.318469 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.231 flat angles C4'-P-C4' energy: -4.135 flat angles P-C4'-P energy: -3.039 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: 4, replica: 4 ===================================== Write number: 463 Temperature: 1.050000 Total energy: -27.600671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.600671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.600671 (E_RNA) where: Base-Base interactions energy: -7.085 where: short stacking energy: -7.085 Base-Backbone interact. energy: -0.051 local terms energy: -20.465326 where: bonds (distance) C4'-P energy: -5.159 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.298 flat angles P-C4'-P energy: -3.904 tors. eta vs tors. theta energy: -0.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 463 Temperature: 1.100000 Total energy: -34.274559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.274559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.274559 (E_RNA) where: Base-Base interactions energy: -12.702 where: short stacking energy: -12.702 Base-Backbone interact. energy: -0.001 local terms energy: -21.572271 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -5.214 flat angles P-C4'-P energy: -3.949 tors. eta vs tors. theta energy: -1.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 463 Temperature: 1.150000 Total energy: -25.105221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.105221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.105221 (E_RNA) where: Base-Base interactions energy: -7.166 where: short stacking energy: -7.166 Base-Backbone interact. energy: -0.091 local terms energy: -17.849030 where: bonds (distance) C4'-P energy: -3.528 bonds (distance) P-C4' energy: -4.258 flat angles C4'-P-C4' energy: -5.148 flat angles P-C4'-P energy: -2.537 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: 7, replica: 2 ===================================== Write number: 463 Temperature: 1.200000 Total energy: -28.405606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.405606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.405606 (E_RNA) where: Base-Base interactions energy: -11.401 where: short stacking energy: -11.401 Base-Backbone interact. energy: -0.000 local terms energy: -17.004069 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -6.020 flat angles C4'-P-C4' energy: -2.743 flat angles P-C4'-P energy: -3.383 tors. eta vs tors. theta energy: 0.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 463 Temperature: 1.250000 Total energy: -32.023955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.023955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.023955 (E_RNA) where: Base-Base interactions energy: -9.842 where: short stacking energy: -9.842 Base-Backbone interact. energy: -0.018 local terms energy: -22.163403 where: bonds (distance) C4'-P energy: -4.663 bonds (distance) P-C4' energy: -4.544 flat angles C4'-P-C4' energy: -3.831 flat angles P-C4'-P energy: -4.406 tors. eta vs tors. theta energy: -4.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 463 Temperature: 1.300000 Total energy: -26.936263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.936263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.936263 (E_RNA) where: Base-Base interactions energy: -7.903 where: short stacking energy: -7.903 Base-Backbone interact. energy: -0.076 local terms energy: -18.957390 where: bonds (distance) C4'-P energy: -3.644 bonds (distance) P-C4' energy: -5.566 flat angles C4'-P-C4' energy: -4.520 flat angles P-C4'-P energy: -3.846 tors. eta vs tors. theta energy: -1.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 463 Temperature: 1.350000 Total energy: -22.527102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.527102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.527102 (E_RNA) where: Base-Base interactions energy: -6.841 where: short stacking energy: -7.041 Base-Backbone interact. energy: -0.009 local terms energy: -15.677338 where: bonds (distance) C4'-P energy: -3.098 bonds (distance) P-C4' energy: -4.480 flat angles C4'-P-C4' energy: -3.057 flat angles P-C4'-P energy: -4.006 tors. eta vs tors. theta energy: -1.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 464 Temperature: 0.900000 Total energy: -32.256294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.256294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.256294 (E_RNA) where: Base-Base interactions energy: -12.512 where: short stacking energy: -12.512 Base-Backbone interact. energy: -0.000 local terms energy: -19.743915 where: bonds (distance) C4'-P energy: -4.795 bonds (distance) P-C4' energy: -4.678 flat angles C4'-P-C4' energy: -4.911 flat angles P-C4'-P energy: -3.432 tors. eta vs tors. theta energy: -1.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 464 Temperature: 0.950000 Total energy: -32.491588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.491588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.491588 (E_RNA) where: Base-Base interactions energy: -12.980 where: short stacking energy: -12.980 Base-Backbone interact. energy: -0.001 local terms energy: -19.510307 where: bonds (distance) C4'-P energy: -4.716 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.472 flat angles P-C4'-P energy: -4.059 tors. eta vs tors. theta energy: -0.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 464 Temperature: 1.000000 Total energy: -27.998876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.998876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.998876 (E_RNA) where: Base-Base interactions energy: -7.510 where: short stacking energy: -7.510 Base-Backbone interact. energy: -0.035 local terms energy: -20.454599 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -4.939 flat angles C4'-P-C4' energy: -5.171 flat angles P-C4'-P energy: -3.424 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: 4, replica: 4 ===================================== Write number: 464 Temperature: 1.050000 Total energy: -32.142576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.142576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.142576 (E_RNA) where: Base-Base interactions energy: -9.535 where: short stacking energy: -9.535 Base-Backbone interact. energy: -0.001 local terms energy: -22.606686 where: bonds (distance) C4'-P energy: -4.600 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -5.286 flat angles P-C4'-P energy: -3.649 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: 5, replica: 7 ===================================== Write number: 464 Temperature: 1.100000 Total energy: -29.555153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.555153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.555153 (E_RNA) where: Base-Base interactions energy: -9.960 where: short stacking energy: -9.960 Base-Backbone interact. energy: -0.013 local terms energy: -19.582470 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -4.470 flat angles C4'-P-C4' energy: -4.209 flat angles P-C4'-P energy: -1.123 tors. eta vs tors. theta energy: -4.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 464 Temperature: 1.150000 Total energy: -30.335575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.335575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.335575 (E_RNA) where: Base-Base interactions energy: -11.440 where: short stacking energy: -11.440 Base-Backbone interact. energy: -0.000 local terms energy: -18.895217 where: bonds (distance) C4'-P energy: -1.130 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -4.515 flat angles P-C4'-P energy: -4.438 tors. eta vs tors. theta energy: -3.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 464 Temperature: 1.200000 Total energy: -29.393388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.393388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.393388 (E_RNA) where: Base-Base interactions energy: -8.364 where: short stacking energy: -8.364 Base-Backbone interact. energy: -0.000 local terms energy: -21.029141 where: bonds (distance) C4'-P energy: -4.413 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -3.927 flat angles P-C4'-P energy: -1.577 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: 8, replica: 3 ===================================== Write number: 464 Temperature: 1.250000 Total energy: -30.735108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.735108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.735108 (E_RNA) where: Base-Base interactions energy: -12.090 where: short stacking energy: -12.090 Base-Backbone interact. energy: -0.003 local terms energy: -18.642410 where: bonds (distance) C4'-P energy: -4.132 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -3.667 flat angles P-C4'-P energy: -1.075 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: 9, replica: 10 ===================================== Write number: 464 Temperature: 1.300000 Total energy: -24.854821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.854821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.854821 (E_RNA) where: Base-Base interactions energy: -6.916 where: short stacking energy: -6.916 Base-Backbone interact. energy: -0.047 local terms energy: -17.891856 where: bonds (distance) C4'-P energy: -3.863 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -4.425 flat angles P-C4'-P energy: -2.749 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: 10, replica: 9 ===================================== Write number: 464 Temperature: 1.350000 Total energy: -26.650347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.650347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.650347 (E_RNA) where: Base-Base interactions energy: -7.505 where: short stacking energy: -7.505 Base-Backbone interact. energy: -0.015 local terms energy: -19.130224 where: bonds (distance) C4'-P energy: -3.818 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.434 flat angles P-C4'-P energy: -1.737 tors. eta vs tors. theta energy: -2.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 465 Temperature: 0.900000 Total energy: -37.859599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.859599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.859599 (E_RNA) where: Base-Base interactions energy: -16.781 where: short stacking energy: -16.781 Base-Backbone interact. energy: -0.000 local terms energy: -21.078129 where: bonds (distance) C4'-P energy: -4.413 bonds (distance) P-C4' energy: -5.476 flat angles C4'-P-C4' energy: -5.132 flat angles P-C4'-P energy: -2.135 tors. eta vs tors. theta energy: -3.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 465 Temperature: 0.950000 Total energy: -36.960431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.960431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.960431 (E_RNA) where: Base-Base interactions energy: -16.027 where: short stacking energy: -16.027 Base-Backbone interact. energy: -0.000 local terms energy: -20.933070 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -5.566 flat angles C4'-P-C4' energy: -2.673 flat angles P-C4'-P energy: -2.665 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: 3, replica: 1 ===================================== Write number: 465 Temperature: 1.000000 Total energy: -29.939196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.939196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.939196 (E_RNA) where: Base-Base interactions energy: -6.263 where: short stacking energy: -6.263 Base-Backbone interact. energy: -0.004 local terms energy: -23.672062 where: bonds (distance) C4'-P energy: -4.645 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.661 flat angles P-C4'-P energy: -4.209 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: 4, replica: 7 ===================================== Write number: 465 Temperature: 1.050000 Total energy: -33.515203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.515203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.515203 (E_RNA) where: Base-Base interactions energy: -14.091 where: short stacking energy: -14.091 Base-Backbone interact. energy: -0.034 local terms energy: -19.390207 where: bonds (distance) C4'-P energy: -2.683 bonds (distance) P-C4' energy: -5.734 flat angles C4'-P-C4' energy: -4.459 flat angles P-C4'-P energy: -3.451 tors. eta vs tors. theta energy: -3.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 465 Temperature: 1.100000 Total energy: -26.991065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.991065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.991065 (E_RNA) where: Base-Base interactions energy: -6.066 where: short stacking energy: -6.042 Base-Backbone interact. energy: -0.341 local terms energy: -20.584624 where: bonds (distance) C4'-P energy: -5.159 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.140 flat angles P-C4'-P energy: -2.576 tors. eta vs tors. theta energy: -2.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 465 Temperature: 1.150000 Total energy: -30.194127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.194127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.194127 (E_RNA) where: Base-Base interactions energy: -11.696 where: short stacking energy: -11.696 Base-Backbone interact. energy: -0.000 local terms energy: -18.497819 where: bonds (distance) C4'-P energy: -3.723 bonds (distance) P-C4' energy: -5.047 flat angles C4'-P-C4' energy: -4.125 flat angles P-C4'-P energy: -1.992 tors. eta vs tors. theta energy: -3.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 465 Temperature: 1.200000 Total energy: -33.441728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.441728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.441728 (E_RNA) where: Base-Base interactions energy: -12.140 where: short stacking energy: -12.140 Base-Backbone interact. energy: -0.000 local terms energy: -21.301795 where: bonds (distance) C4'-P energy: -5.018 bonds (distance) P-C4' energy: -4.713 flat angles C4'-P-C4' energy: -5.436 flat angles P-C4'-P energy: -3.769 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: 8, replica: 10 ===================================== Write number: 465 Temperature: 1.250000 Total energy: -25.556652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.556652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.556652 (E_RNA) where: Base-Base interactions energy: -7.277 where: short stacking energy: -7.231 Base-Backbone interact. energy: -0.116 local terms energy: -18.163384 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -5.286 flat angles C4'-P-C4' energy: -5.280 flat angles P-C4'-P energy: -3.867 tors. eta vs tors. theta energy: 1.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 465 Temperature: 1.300000 Total energy: -30.866551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.866551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.866551 (E_RNA) where: Base-Base interactions energy: -10.916 where: short stacking energy: -10.916 Base-Backbone interact. energy: -0.012 local terms energy: -19.939237 where: bonds (distance) C4'-P energy: -3.490 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -4.289 flat angles P-C4'-P energy: -3.600 tors. eta vs tors. theta energy: -2.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 465 Temperature: 1.350000 Total energy: -24.422422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.422422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.422422 (E_RNA) where: Base-Base interactions energy: -7.502 where: short stacking energy: -7.502 Base-Backbone interact. energy: -0.000 local terms energy: -16.920189 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -2.596 flat angles C4'-P-C4' energy: -4.501 flat angles P-C4'-P energy: -4.663 tors. eta vs tors. theta energy: -0.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 466 Temperature: 0.900000 Total energy: -39.468980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.468980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.468980 (E_RNA) where: Base-Base interactions energy: -15.744 where: short stacking energy: -15.744 Base-Backbone interact. energy: -0.007 local terms energy: -23.717620 where: bonds (distance) C4'-P energy: -3.536 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.621 flat angles P-C4'-P energy: -4.748 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: 2, replica: 8 ===================================== Write number: 466 Temperature: 0.950000 Total energy: -37.479658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.479658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.479658 (E_RNA) where: Base-Base interactions energy: -16.326 where: short stacking energy: -16.326 Base-Backbone interact. energy: -0.001 local terms energy: -21.153378 where: bonds (distance) C4'-P energy: -5.275 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -4.365 flat angles P-C4'-P energy: -2.424 tors. eta vs tors. theta energy: -3.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 466 Temperature: 1.000000 Total energy: -35.057377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.057377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.057377 (E_RNA) where: Base-Base interactions energy: -16.031 where: short stacking energy: -16.031 Base-Backbone interact. energy: -0.000 local terms energy: -19.026365 where: bonds (distance) C4'-P energy: -1.900 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.822 flat angles P-C4'-P energy: -2.442 tors. eta vs tors. theta energy: -3.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 466 Temperature: 1.050000 Total energy: -28.170031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.170031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.170031 (E_RNA) where: Base-Base interactions energy: -7.515 where: short stacking energy: -7.515 Base-Backbone interact. energy: -0.096 local terms energy: -20.558858 where: bonds (distance) C4'-P energy: -4.485 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -5.201 flat angles P-C4'-P energy: -3.850 tors. eta vs tors. theta energy: -0.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 466 Temperature: 1.100000 Total energy: -29.731001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.731001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.731001 (E_RNA) where: Base-Base interactions energy: -5.840 where: short stacking energy: -5.840 Base-Backbone interact. energy: -0.000 local terms energy: -23.890805 where: bonds (distance) C4'-P energy: -5.275 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -4.954 flat angles P-C4'-P energy: -4.335 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: 6, replica: 4 ===================================== Write number: 466 Temperature: 1.150000 Total energy: -32.258163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.258163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.258163 (E_RNA) where: Base-Base interactions energy: -12.550 where: short stacking energy: -12.550 Base-Backbone interact. energy: -0.000 local terms energy: -19.707813 where: bonds (distance) C4'-P energy: -4.219 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -4.087 flat angles P-C4'-P energy: -2.962 tors. eta vs tors. theta energy: -2.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 466 Temperature: 1.200000 Total energy: -29.519502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.519502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.519502 (E_RNA) where: Base-Base interactions energy: -12.172 where: short stacking energy: -12.172 Base-Backbone interact. energy: -0.000 local terms energy: -17.347044 where: bonds (distance) C4'-P energy: -4.169 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -3.826 flat angles P-C4'-P energy: -2.463 tors. eta vs tors. theta energy: -1.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 466 Temperature: 1.250000 Total energy: -25.053146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.053146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.053146 (E_RNA) where: Base-Base interactions energy: -7.908 where: short stacking energy: -7.908 Base-Backbone interact. energy: -0.000 local terms energy: -17.145050 where: bonds (distance) C4'-P energy: -4.609 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -2.742 flat angles P-C4'-P energy: -3.193 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: 9 ===================================== Write number: 466 Temperature: 1.300000 Total energy: -24.092848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.092848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.092848 (E_RNA) where: Base-Base interactions energy: -5.885 where: short stacking energy: -5.885 Base-Backbone interact. energy: -0.000 local terms energy: -18.207937 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -4.713 flat angles C4'-P-C4' energy: -5.380 flat angles P-C4'-P energy: -0.972 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: 10, replica: 3 ===================================== Write number: 466 Temperature: 1.350000 Total energy: -27.027380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.027380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.027380 (E_RNA) where: Base-Base interactions energy: -7.204 where: short stacking energy: -7.204 Base-Backbone interact. energy: -0.070 local terms energy: -19.752608 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -4.763 flat angles P-C4'-P energy: -2.777 tors. eta vs tors. theta energy: -2.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 467 Temperature: 0.900000 Total energy: -32.937362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.937362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.937362 (E_RNA) where: Base-Base interactions energy: -11.525 where: short stacking energy: -11.525 Base-Backbone interact. energy: -0.000 local terms energy: -21.412161 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -3.957 flat angles P-C4'-P energy: -2.763 tors. eta vs tors. theta energy: -4.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 467 Temperature: 0.950000 Total energy: -34.323715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.323715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.323715 (E_RNA) where: Base-Base interactions energy: -13.117 where: short stacking energy: -13.117 Base-Backbone interact. energy: -0.069 local terms energy: -21.137781 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -4.685 flat angles P-C4'-P energy: -3.576 tors. eta vs tors. theta energy: -2.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 467 Temperature: 1.000000 Total energy: -31.231404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.231404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.231404 (E_RNA) where: Base-Base interactions energy: -9.193 where: short stacking energy: -9.193 Base-Backbone interact. energy: -0.000 local terms energy: -22.038081 where: bonds (distance) C4'-P energy: -4.413 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.224 flat angles P-C4'-P energy: -3.521 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: 4, replica: 2 ===================================== Write number: 467 Temperature: 1.050000 Total energy: -28.355360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.355360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.355360 (E_RNA) where: Base-Base interactions energy: -7.758 where: short stacking energy: -7.758 Base-Backbone interact. energy: -0.000 local terms energy: -20.596636 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -4.544 flat angles C4'-P-C4' energy: -3.855 flat angles P-C4'-P energy: -3.788 tors. eta vs tors. theta energy: -2.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 467 Temperature: 1.100000 Total energy: -24.714805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.714805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.714805 (E_RNA) where: Base-Base interactions energy: -3.370 where: short stacking energy: -3.370 Base-Backbone interact. energy: -0.011 local terms energy: -21.334161 where: bonds (distance) C4'-P energy: -5.159 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.609 flat angles P-C4'-P energy: -3.371 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: 6, replica: 10 ===================================== Write number: 467 Temperature: 1.150000 Total energy: -29.216275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.216275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.216275 (E_RNA) where: Base-Base interactions energy: -11.269 where: short stacking energy: -11.269 Base-Backbone interact. energy: -0.000 local terms energy: -17.947258 where: bonds (distance) C4'-P energy: -4.413 bonds (distance) P-C4' energy: -4.872 flat angles C4'-P-C4' energy: -5.152 flat angles P-C4'-P energy: -1.231 tors. eta vs tors. theta energy: -2.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 467 Temperature: 1.200000 Total energy: -23.851784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.851784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.851784 (E_RNA) where: Base-Base interactions energy: -7.115 where: short stacking energy: -7.115 Base-Backbone interact. energy: -0.091 local terms energy: -16.646418 where: bonds (distance) C4'-P energy: -3.006 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -4.708 flat angles P-C4'-P energy: -3.201 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: 9 ===================================== Write number: 467 Temperature: 1.250000 Total energy: -26.439915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.439915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.439915 (E_RNA) where: Base-Base interactions energy: -9.176 where: short stacking energy: -9.176 Base-Backbone interact. energy: -0.000 local terms energy: -17.263599 where: bonds (distance) C4'-P energy: -5.196 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -3.721 flat angles P-C4'-P energy: -2.113 tors. eta vs tors. theta energy: -0.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 467 Temperature: 1.300000 Total energy: -28.822101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.822101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.822101 (E_RNA) where: Base-Base interactions energy: -10.013 where: short stacking energy: -10.013 Base-Backbone interact. energy: -0.000 local terms energy: -18.808565 where: bonds (distance) C4'-P energy: -3.234 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -4.263 flat angles P-C4'-P energy: -2.889 tors. eta vs tors. theta energy: -2.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 467 Temperature: 1.350000 Total energy: -26.337826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.337826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.337826 (E_RNA) where: Base-Base interactions energy: -8.016 where: short stacking energy: -8.016 Base-Backbone interact. energy: -0.001 local terms energy: -18.320386 where: bonds (distance) C4'-P energy: -3.420 bonds (distance) P-C4' energy: -5.333 flat angles C4'-P-C4' energy: -5.785 flat angles P-C4'-P energy: -3.444 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: 8 ===================================== Write number: 468 Temperature: 0.900000 Total energy: -41.934577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.934577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.934577 (E_RNA) where: Base-Base interactions energy: -16.460 where: short stacking energy: -16.460 Base-Backbone interact. energy: -0.000 local terms energy: -25.474322 where: bonds (distance) C4'-P energy: -5.089 bonds (distance) P-C4' energy: -4.842 flat angles C4'-P-C4' energy: -5.131 flat angles P-C4'-P energy: -4.590 tors. eta vs tors. theta energy: -5.822 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: 5 ===================================== Write number: 468 Temperature: 0.950000 Total energy: -30.340254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.340254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.340254 (E_RNA) where: Base-Base interactions energy: -9.874 where: short stacking energy: -9.874 Base-Backbone interact. energy: -0.000 local terms energy: -20.466739 where: bonds (distance) C4'-P energy: -4.165 bonds (distance) P-C4' energy: -5.261 flat angles C4'-P-C4' energy: -4.256 flat angles P-C4'-P energy: -2.446 tors. eta vs tors. theta energy: -4.339 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: 2 ===================================== Write number: 468 Temperature: 1.000000 Total energy: -35.378921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.378921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.378921 (E_RNA) where: Base-Base interactions energy: -14.620 where: short stacking energy: -14.620 Base-Backbone interact. energy: -0.000 local terms energy: -20.758872 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -3.021 flat angles C4'-P-C4' energy: -4.940 flat angles P-C4'-P energy: -4.779 tors. eta vs tors. theta energy: -2.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 468 Temperature: 1.050000 Total energy: -28.998896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.998896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.998896 (E_RNA) where: Base-Base interactions energy: -11.033 where: short stacking energy: -11.033 Base-Backbone interact. energy: -0.000 local terms energy: -17.965569 where: bonds (distance) C4'-P energy: -3.010 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -3.647 flat angles P-C4'-P energy: -2.590 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: 1 ===================================== Write number: 468 Temperature: 1.100000 Total energy: -24.229490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.229490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.229490 (E_RNA) where: Base-Base interactions energy: -4.941 where: short stacking energy: -4.941 Base-Backbone interact. energy: -0.000 local terms energy: -19.287889 where: bonds (distance) C4'-P energy: -4.637 bonds (distance) P-C4' energy: -5.001 flat angles C4'-P-C4' energy: -5.183 flat angles P-C4'-P energy: -4.122 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: 6, replica: 10 ===================================== Write number: 468 Temperature: 1.150000 Total energy: -27.303410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.303410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.303410 (E_RNA) where: Base-Base interactions energy: -7.728 where: short stacking energy: -7.728 Base-Backbone interact. energy: -0.001 local terms energy: -19.574027 where: bonds (distance) C4'-P energy: -4.227 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.027 flat angles P-C4'-P energy: -3.988 tors. eta vs tors. theta energy: -0.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 468 Temperature: 1.200000 Total energy: -27.404675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.404675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.404675 (E_RNA) where: Base-Base interactions energy: -7.653 where: short stacking energy: -7.653 Base-Backbone interact. energy: -0.000 local terms energy: -19.751266 where: bonds (distance) C4'-P energy: -3.436 bonds (distance) P-C4' energy: -4.872 flat angles C4'-P-C4' energy: -4.267 flat angles P-C4'-P energy: -3.352 tors. eta vs tors. theta energy: -3.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 468 Temperature: 1.250000 Total energy: -31.386331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.386331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.386331 (E_RNA) where: Base-Base interactions energy: -10.772 where: short stacking energy: -10.772 Base-Backbone interact. energy: -0.071 local terms energy: -20.543014 where: bonds (distance) C4'-P energy: -4.865 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -4.509 flat angles P-C4'-P energy: -3.300 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: 3 ===================================== Write number: 468 Temperature: 1.300000 Total energy: -25.567471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.567471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.567471 (E_RNA) where: Base-Base interactions energy: -10.127 where: short stacking energy: -10.127 Base-Backbone interact. energy: -0.001 local terms energy: -15.439816 where: bonds (distance) C4'-P energy: -2.902 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -3.439 flat angles P-C4'-P energy: -3.534 tors. eta vs tors. theta energy: 0.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 468 Temperature: 1.350000 Total energy: -26.592014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.592014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.592014 (E_RNA) where: Base-Base interactions energy: -10.048 where: short stacking energy: -10.048 Base-Backbone interact. energy: -0.000 local terms energy: -16.544177 where: bonds (distance) C4'-P energy: -5.167 bonds (distance) P-C4' energy: -4.618 flat angles C4'-P-C4' energy: -3.984 flat angles P-C4'-P energy: -1.620 tors. eta vs tors. theta energy: -1.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 469 Temperature: 0.900000 Total energy: -39.172235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.172235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.172235 (E_RNA) where: Base-Base interactions energy: -16.226 where: short stacking energy: -16.226 Base-Backbone interact. energy: -0.000 local terms energy: -22.946221 where: bonds (distance) C4'-P energy: -4.199 bonds (distance) P-C4' energy: -5.494 flat angles C4'-P-C4' energy: -5.317 flat angles P-C4'-P energy: -2.556 tors. eta vs tors. theta energy: -5.380 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: 5 ===================================== Write number: 469 Temperature: 0.950000 Total energy: -34.636145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.636145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.636145 (E_RNA) where: Base-Base interactions energy: -12.584 where: short stacking energy: -12.584 Base-Backbone interact. energy: -0.000 local terms energy: -22.051895 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.771 flat angles P-C4'-P energy: -2.409 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: 3, replica: 2 ===================================== Write number: 469 Temperature: 1.000000 Total energy: -30.901623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.901623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.901623 (E_RNA) where: Base-Base interactions energy: -12.130 where: short stacking energy: -12.130 Base-Backbone interact. energy: -0.001 local terms energy: -18.770327 where: bonds (distance) C4'-P energy: -3.925 bonds (distance) P-C4' energy: -4.998 flat angles C4'-P-C4' energy: -4.762 flat angles P-C4'-P energy: -3.691 tors. eta vs tors. theta energy: -1.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 469 Temperature: 1.050000 Total energy: -35.217710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.217710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.217710 (E_RNA) where: Base-Base interactions energy: -11.604 where: short stacking energy: -11.604 Base-Backbone interact. energy: -0.084 local terms energy: -23.529597 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.098 flat angles P-C4'-P energy: -3.366 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: 5, replica: 7 ===================================== Write number: 469 Temperature: 1.100000 Total energy: -25.714729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.714729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.714729 (E_RNA) where: Base-Base interactions energy: -6.222 where: short stacking energy: -6.222 Base-Backbone interact. energy: -0.000 local terms energy: -19.492756 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -4.731 flat angles P-C4'-P energy: -2.569 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: 6, replica: 9 ===================================== Write number: 469 Temperature: 1.150000 Total energy: -31.805348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.805348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.805348 (E_RNA) where: Base-Base interactions energy: -9.305 where: short stacking energy: -9.305 Base-Backbone interact. energy: -0.000 local terms energy: -22.500362 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -3.689 flat angles P-C4'-P energy: -2.841 tors. eta vs tors. theta energy: -4.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 469 Temperature: 1.200000 Total energy: -29.685695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.685695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.685695 (E_RNA) where: Base-Base interactions energy: -8.858 where: short stacking energy: -8.858 Base-Backbone interact. energy: -0.000 local terms energy: -20.828075 where: bonds (distance) C4'-P energy: -3.659 bonds (distance) P-C4' energy: -4.191 flat angles C4'-P-C4' energy: -4.570 flat angles P-C4'-P energy: -3.636 tors. eta vs tors. theta energy: -4.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 469 Temperature: 1.250000 Total energy: -25.876826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.876826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.876826 (E_RNA) where: Base-Base interactions energy: -7.631 where: short stacking energy: -7.631 Base-Backbone interact. energy: -0.000 local terms energy: -18.245801 where: bonds (distance) C4'-P energy: -4.778 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -1.070 flat angles P-C4'-P energy: -3.854 tors. eta vs tors. theta energy: -2.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 469 Temperature: 1.300000 Total energy: -27.872177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.872177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.872177 (E_RNA) where: Base-Base interactions energy: -8.451 where: short stacking energy: -8.451 Base-Backbone interact. energy: -0.001 local terms energy: -19.420839 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -4.815 flat angles P-C4'-P energy: -3.401 tors. eta vs tors. theta energy: -0.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 469 Temperature: 1.350000 Total energy: -27.767171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.767171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.767171 (E_RNA) where: Base-Base interactions energy: -10.470 where: short stacking energy: -10.470 Base-Backbone interact. energy: -0.005 local terms energy: -17.291708 where: bonds (distance) C4'-P energy: -4.008 bonds (distance) P-C4' energy: -4.713 flat angles C4'-P-C4' energy: -4.003 flat angles P-C4'-P energy: -3.061 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: 1, replica: 8 ===================================== Write number: 470 Temperature: 0.900000 Total energy: -35.299076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.299076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.299076 (E_RNA) where: Base-Base interactions energy: -13.142 where: short stacking energy: -13.142 Base-Backbone interact. energy: 0.666 local terms energy: -22.823012 where: bonds (distance) C4'-P energy: -5.498 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.566 flat angles P-C4'-P energy: -4.506 tors. eta vs tors. theta energy: -2.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 470 Temperature: 0.950000 Total energy: -32.600418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.600418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.600418 (E_RNA) where: Base-Base interactions energy: -11.065 where: short stacking energy: -11.065 Base-Backbone interact. energy: -0.001 local terms energy: -21.535056 where: bonds (distance) C4'-P energy: -5.498 bonds (distance) P-C4' energy: -4.022 flat angles C4'-P-C4' energy: -5.628 flat angles P-C4'-P energy: -3.490 tors. eta vs tors. theta energy: -2.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 470 Temperature: 1.000000 Total energy: -30.418803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.418803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.418803 (E_RNA) where: Base-Base interactions energy: -10.369 where: short stacking energy: -10.369 Base-Backbone interact. energy: -0.003 local terms energy: -20.047652 where: bonds (distance) C4'-P energy: -4.405 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.550 flat angles P-C4'-P energy: -3.662 tors. eta vs tors. theta energy: -1.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 470 Temperature: 1.050000 Total energy: -36.280262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.280262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.280262 (E_RNA) where: Base-Base interactions energy: -12.706 where: short stacking energy: -12.706 Base-Backbone interact. energy: -0.000 local terms energy: -23.574620 where: bonds (distance) C4'-P energy: -5.027 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.064 flat angles P-C4'-P energy: -3.939 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: 5, replica: 9 ===================================== Write number: 470 Temperature: 1.100000 Total energy: -28.448533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.448533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.448533 (E_RNA) where: Base-Base interactions energy: -6.759 where: short stacking energy: -7.159 Base-Backbone interact. energy: -0.002 local terms energy: -21.687156 where: bonds (distance) C4'-P energy: -4.628 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -4.106 flat angles P-C4'-P energy: -3.719 tors. eta vs tors. theta energy: -3.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 470 Temperature: 1.150000 Total energy: -29.710921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.710921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.710921 (E_RNA) where: Base-Base interactions energy: -7.864 where: short stacking energy: -7.864 Base-Backbone interact. energy: -0.000 local terms energy: -21.846636 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.065 flat angles C4'-P-C4' energy: -5.589 flat angles P-C4'-P energy: -3.053 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: 7, replica: 3 ===================================== Write number: 470 Temperature: 1.200000 Total energy: -28.586531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.586531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.586531 (E_RNA) where: Base-Base interactions energy: -7.137 where: short stacking energy: -7.137 Base-Backbone interact. energy: -0.002 local terms energy: -21.447941 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.298 flat angles C4'-P-C4' energy: -5.291 flat angles P-C4'-P energy: -3.087 tors. eta vs tors. theta energy: -2.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 470 Temperature: 1.250000 Total energy: -31.783728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.783728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.783728 (E_RNA) where: Base-Base interactions energy: -11.838 where: short stacking energy: -11.838 Base-Backbone interact. energy: -0.000 local terms energy: -19.945916 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -2.587 flat angles C4'-P-C4' energy: -4.615 flat angles P-C4'-P energy: -3.765 tors. eta vs tors. theta energy: -3.828 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: 9, replica: 6 ===================================== Write number: 470 Temperature: 1.300000 Total energy: -29.737671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.737671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.737671 (E_RNA) where: Base-Base interactions energy: -9.853 where: short stacking energy: -9.853 Base-Backbone interact. energy: -0.000 local terms energy: -19.884764 where: bonds (distance) C4'-P energy: -4.413 bonds (distance) P-C4' energy: -5.212 flat angles C4'-P-C4' energy: -3.236 flat angles P-C4'-P energy: -3.698 tors. eta vs tors. theta energy: -3.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 470 Temperature: 1.350000 Total energy: -26.227194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.227194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.227194 (E_RNA) where: Base-Base interactions energy: -6.213 where: short stacking energy: -6.213 Base-Backbone interact. energy: -0.011 local terms energy: -20.002541 where: bonds (distance) C4'-P energy: -4.840 bonds (distance) P-C4' energy: -5.491 flat angles C4'-P-C4' energy: -4.971 flat angles P-C4'-P energy: -3.420 tors. eta vs tors. theta energy: -1.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 471 Temperature: 0.900000 Total energy: -36.628401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.628401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.628401 (E_RNA) where: Base-Base interactions energy: -16.549 where: short stacking energy: -16.549 Base-Backbone interact. energy: -0.000 local terms energy: -20.079674 where: bonds (distance) C4'-P energy: -4.157 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -4.857 flat angles P-C4'-P energy: -2.919 tors. eta vs tors. theta energy: -2.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 471 Temperature: 0.950000 Total energy: -30.755356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.755356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.755356 (E_RNA) where: Base-Base interactions energy: -8.258 where: short stacking energy: -8.258 Base-Backbone interact. energy: -0.012 local terms energy: -22.484946 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -4.709 flat angles C4'-P-C4' energy: -5.131 flat angles P-C4'-P energy: -4.461 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: 3, replica: 5 ===================================== Write number: 471 Temperature: 1.000000 Total energy: -32.008097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.008097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.008097 (E_RNA) where: Base-Base interactions energy: -12.863 where: short stacking energy: -12.863 Base-Backbone interact. energy: 0.226 local terms energy: -19.370510 where: bonds (distance) C4'-P energy: -5.089 bonds (distance) P-C4' energy: -5.286 flat angles C4'-P-C4' energy: -4.942 flat angles P-C4'-P energy: -2.707 tors. eta vs tors. theta energy: -1.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 471 Temperature: 1.050000 Total energy: -37.960933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.960933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.960933 (E_RNA) where: Base-Base interactions energy: -15.870 where: short stacking energy: -15.870 Base-Backbone interact. energy: -0.006 local terms energy: -22.084993 where: bonds (distance) C4'-P energy: -4.165 bonds (distance) P-C4' energy: -5.783 flat angles C4'-P-C4' energy: -3.622 flat angles P-C4'-P energy: -4.232 tors. eta vs tors. theta energy: -4.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 471 Temperature: 1.100000 Total energy: -34.444531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.444531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.444531 (E_RNA) where: Base-Base interactions energy: -12.917 where: short stacking energy: -12.917 Base-Backbone interact. energy: -0.000 local terms energy: -21.527308 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -3.761 flat angles C4'-P-C4' energy: -4.757 flat angles P-C4'-P energy: -3.974 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: 6, replica: 3 ===================================== Write number: 471 Temperature: 1.150000 Total energy: -27.568969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.568969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.568969 (E_RNA) where: Base-Base interactions energy: -8.288 where: short stacking energy: -8.288 Base-Backbone interact. energy: -0.000 local terms energy: -19.280173 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -3.765 flat angles C4'-P-C4' energy: -5.466 flat angles P-C4'-P energy: -2.315 tors. eta vs tors. theta energy: -2.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 471 Temperature: 1.200000 Total energy: -27.872779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.872779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.872779 (E_RNA) where: Base-Base interactions energy: -8.055 where: short stacking energy: -8.055 Base-Backbone interact. energy: -0.000 local terms energy: -19.817890 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -4.173 flat angles C4'-P-C4' energy: -4.644 flat angles P-C4'-P energy: -3.786 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: 8, replica: 10 ===================================== Write number: 471 Temperature: 1.250000 Total energy: -28.471636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.471636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.471636 (E_RNA) where: Base-Base interactions energy: -11.556 where: short stacking energy: -11.556 Base-Backbone interact. energy: -0.211 local terms energy: -16.705141 where: bonds (distance) C4'-P energy: -3.544 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -3.602 flat angles P-C4'-P energy: -2.427 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: 9, replica: 6 ===================================== Write number: 471 Temperature: 1.300000 Total energy: -24.255161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.255161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.255161 (E_RNA) where: Base-Base interactions energy: -9.531 where: short stacking energy: -9.531 Base-Backbone interact. energy: -0.003 local terms energy: -14.721451 where: bonds (distance) C4'-P energy: -1.309 bonds (distance) P-C4' energy: -4.212 flat angles C4'-P-C4' energy: -4.416 flat angles P-C4'-P energy: -4.533 tors. eta vs tors. theta energy: -0.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 471 Temperature: 1.350000 Total energy: -26.799891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.799891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.799891 (E_RNA) where: Base-Base interactions energy: -8.102 where: short stacking energy: -8.102 Base-Backbone interact. energy: -0.002 local terms energy: -18.696054 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -3.768 flat angles C4'-P-C4' energy: -3.959 flat angles P-C4'-P energy: -2.593 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: 1, replica: 2 ===================================== Write number: 472 Temperature: 0.900000 Total energy: -36.472492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.472492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.472492 (E_RNA) where: Base-Base interactions energy: -15.791 where: short stacking energy: -15.791 Base-Backbone interact. energy: -0.008 local terms energy: -20.673269 where: bonds (distance) C4'-P energy: -4.004 bonds (distance) P-C4' energy: -4.603 flat angles C4'-P-C4' energy: -4.678 flat angles P-C4'-P energy: -4.171 tors. eta vs tors. theta energy: -3.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 472 Temperature: 0.950000 Total energy: -32.329206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.329206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.329206 (E_RNA) where: Base-Base interactions energy: -12.930 where: short stacking energy: -12.930 Base-Backbone interact. energy: -0.000 local terms energy: -19.399519 where: bonds (distance) C4'-P energy: -4.513 bonds (distance) P-C4' energy: -4.302 flat angles C4'-P-C4' energy: -3.534 flat angles P-C4'-P energy: -4.026 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: 3, replica: 1 ===================================== Write number: 472 Temperature: 1.000000 Total energy: -32.586901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.586901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.586901 (E_RNA) where: Base-Base interactions energy: -10.952 where: short stacking energy: -10.952 Base-Backbone interact. energy: -0.000 local terms energy: -21.635224 where: bonds (distance) C4'-P energy: -4.529 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -5.333 flat angles P-C4'-P energy: -2.561 tors. eta vs tors. theta energy: -4.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 472 Temperature: 1.050000 Total energy: -36.461756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.461756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.461756 (E_RNA) where: Base-Base interactions energy: -15.491 where: short stacking energy: -15.491 Base-Backbone interact. energy: -0.000 local terms energy: -20.970637 where: bonds (distance) C4'-P energy: -4.413 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.505 flat angles P-C4'-P energy: -0.532 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: 5, replica: 3 ===================================== Write number: 472 Temperature: 1.100000 Total energy: -29.349242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.349242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.349242 (E_RNA) where: Base-Base interactions energy: -11.305 where: short stacking energy: -11.305 Base-Backbone interact. energy: -0.081 local terms energy: -17.962826 where: bonds (distance) C4'-P energy: -3.454 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -3.555 flat angles P-C4'-P energy: -3.603 tors. eta vs tors. theta energy: -1.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 472 Temperature: 1.150000 Total energy: -33.245002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.245002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.245002 (E_RNA) where: Base-Base interactions energy: -12.542 where: short stacking energy: -12.542 Base-Backbone interact. energy: -0.000 local terms energy: -20.703040 where: bonds (distance) C4'-P energy: -4.529 bonds (distance) P-C4' energy: -4.367 flat angles C4'-P-C4' energy: -5.601 flat angles P-C4'-P energy: -3.996 tors. eta vs tors. theta energy: -2.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 472 Temperature: 1.200000 Total energy: -26.689823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.689823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.689823 (E_RNA) where: Base-Base interactions energy: -5.404 where: short stacking energy: -5.404 Base-Backbone interact. energy: 0.120 local terms energy: -21.405815 where: bonds (distance) C4'-P energy: -5.196 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -5.170 flat angles P-C4'-P energy: -3.407 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: 472 Temperature: 1.250000 Total energy: -25.516805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.516805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.516805 (E_RNA) where: Base-Base interactions energy: -6.911 where: short stacking energy: -6.911 Base-Backbone interact. energy: -0.000 local terms energy: -18.605971 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -5.072 flat angles C4'-P-C4' energy: -2.256 flat angles P-C4'-P energy: -3.374 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: 9, replica: 4 ===================================== Write number: 472 Temperature: 1.300000 Total energy: -26.754794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.754794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.754794 (E_RNA) where: Base-Base interactions energy: -7.528 where: short stacking energy: -7.528 Base-Backbone interact. energy: -0.000 local terms energy: -19.226688 where: bonds (distance) C4'-P energy: -4.459 bonds (distance) P-C4' energy: -4.280 flat angles C4'-P-C4' energy: -4.371 flat angles P-C4'-P energy: -4.579 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: 6 ===================================== Write number: 472 Temperature: 1.350000 Total energy: -26.671367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.671367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.671367 (E_RNA) where: Base-Base interactions energy: -7.993 where: short stacking energy: -7.993 Base-Backbone interact. energy: -0.000 local terms energy: -18.678419 where: bonds (distance) C4'-P energy: -3.135 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -5.226 flat angles P-C4'-P energy: -2.025 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: 1, replica: 2 ===================================== Write number: 473 Temperature: 0.900000 Total energy: -40.769656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.769656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.769656 (E_RNA) where: Base-Base interactions energy: -15.736 where: short stacking energy: -15.736 Base-Backbone interact. energy: -0.000 local terms energy: -25.033543 where: bonds (distance) C4'-P energy: -5.018 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -4.956 flat angles P-C4'-P energy: -3.697 tors. eta vs tors. theta energy: -6.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 473 Temperature: 0.950000 Total energy: -33.605836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.605836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.605836 (E_RNA) where: Base-Base interactions energy: -14.865 where: short stacking energy: -14.865 Base-Backbone interact. energy: -0.001 local terms energy: -18.740052 where: bonds (distance) C4'-P energy: -4.165 bonds (distance) P-C4' energy: -4.678 flat angles C4'-P-C4' energy: -4.132 flat angles P-C4'-P energy: -3.053 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: 8 ===================================== Write number: 473 Temperature: 1.000000 Total energy: -30.854181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.854181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.854181 (E_RNA) where: Base-Base interactions energy: -11.418 where: short stacking energy: -11.418 Base-Backbone interact. energy: -0.000 local terms energy: -19.436124 where: bonds (distance) C4'-P energy: -3.516 bonds (distance) P-C4' energy: -5.100 flat angles C4'-P-C4' energy: -4.874 flat angles P-C4'-P energy: -4.291 tors. eta vs tors. theta energy: -1.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 473 Temperature: 1.050000 Total energy: -28.424119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.424119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.424119 (E_RNA) where: Base-Base interactions energy: -10.042 where: short stacking energy: -10.042 Base-Backbone interact. energy: -0.002 local terms energy: -18.380680 where: bonds (distance) C4'-P energy: -3.668 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -5.319 flat angles P-C4'-P energy: -2.181 tors. eta vs tors. theta energy: -1.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 473 Temperature: 1.100000 Total energy: -29.773767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.773767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.773767 (E_RNA) where: Base-Base interactions energy: -10.719 where: short stacking energy: -10.719 Base-Backbone interact. energy: -0.100 local terms energy: -18.955124 where: bonds (distance) C4'-P energy: -4.016 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -4.178 flat angles P-C4'-P energy: -3.897 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: 6, replica: 10 ===================================== Write number: 473 Temperature: 1.150000 Total energy: -30.502760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.502760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.502760 (E_RNA) where: Base-Base interactions energy: -12.790 where: short stacking energy: -12.790 Base-Backbone interact. energy: -0.000 local terms energy: -17.711873 where: bonds (distance) C4'-P energy: -3.171 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.098 flat angles P-C4'-P energy: -1.991 tors. eta vs tors. theta energy: -1.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 473 Temperature: 1.200000 Total energy: -29.320889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.320889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.320889 (E_RNA) where: Base-Base interactions energy: -11.242 where: short stacking energy: -11.242 Base-Backbone interact. energy: -0.040 local terms energy: -18.038670 where: bonds (distance) C4'-P energy: -4.679 bonds (distance) P-C4' energy: -5.305 flat angles C4'-P-C4' energy: -3.743 flat angles P-C4'-P energy: -2.685 tors. eta vs tors. theta energy: -1.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 473 Temperature: 1.250000 Total energy: -30.771439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.771439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.771439 (E_RNA) where: Base-Base interactions energy: -12.528 where: short stacking energy: -12.528 Base-Backbone interact. energy: -0.083 local terms energy: -18.159613 where: bonds (distance) C4'-P energy: -4.725 bonds (distance) P-C4' energy: -5.526 flat angles C4'-P-C4' energy: -4.477 flat angles P-C4'-P energy: -1.622 tors. eta vs tors. theta energy: -1.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 473 Temperature: 1.300000 Total energy: -26.174202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.174202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.174202 (E_RNA) where: Base-Base interactions energy: -6.813 where: short stacking energy: -6.813 Base-Backbone interact. energy: -0.089 local terms energy: -19.271986 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -5.072 flat angles C4'-P-C4' energy: -4.586 flat angles P-C4'-P energy: -3.068 tors. eta vs tors. theta energy: -1.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 473 Temperature: 1.350000 Total energy: -25.990388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.990388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.990388 (E_RNA) where: Base-Base interactions energy: -9.275 where: short stacking energy: -9.275 Base-Backbone interact. energy: -0.000 local terms energy: -16.715126 where: bonds (distance) C4'-P energy: -4.057 bonds (distance) P-C4' energy: -3.752 flat angles C4'-P-C4' energy: -4.638 flat angles P-C4'-P energy: -3.825 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: 1, replica: 2 ===================================== Write number: 474 Temperature: 0.900000 Total energy: -38.580209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.580209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.580209 (E_RNA) where: Base-Base interactions energy: -16.297 where: short stacking energy: -16.297 Base-Backbone interact. energy: -0.000 local terms energy: -22.282485 where: bonds (distance) C4'-P energy: -4.219 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -5.486 flat angles P-C4'-P energy: -3.438 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: 474 Temperature: 0.950000 Total energy: -36.174402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.174402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.174402 (E_RNA) where: Base-Base interactions energy: -16.475 where: short stacking energy: -16.475 Base-Backbone interact. energy: -0.000 local terms energy: -19.698952 where: bonds (distance) C4'-P energy: -4.405 bonds (distance) P-C4' energy: -5.043 flat angles C4'-P-C4' energy: -5.049 flat angles P-C4'-P energy: -2.351 tors. eta vs tors. theta energy: -2.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 474 Temperature: 1.000000 Total energy: -31.746875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.746875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.746875 (E_RNA) where: Base-Base interactions energy: -11.793 where: short stacking energy: -11.793 Base-Backbone interact. energy: -0.000 local terms energy: -19.954097 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -4.212 flat angles P-C4'-P energy: -1.768 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: 4, replica: 8 ===================================== Write number: 474 Temperature: 1.050000 Total energy: -32.429363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.429363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.429363 (E_RNA) where: Base-Base interactions energy: -12.116 where: short stacking energy: -12.116 Base-Backbone interact. energy: -0.000 local terms energy: -20.313809 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -4.289 flat angles C4'-P-C4' energy: -4.502 flat angles P-C4'-P energy: -3.401 tors. eta vs tors. theta energy: -2.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 474 Temperature: 1.100000 Total energy: -36.427374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.427374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.427374 (E_RNA) where: Base-Base interactions energy: -14.558 where: short stacking energy: -14.558 Base-Backbone interact. energy: -0.000 local terms energy: -21.869019 where: bonds (distance) C4'-P energy: -4.600 bonds (distance) P-C4' energy: -5.265 flat angles C4'-P-C4' energy: -3.996 flat angles P-C4'-P energy: -2.701 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: 6, replica: 5 ===================================== Write number: 474 Temperature: 1.150000 Total energy: -29.069178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.069178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.069178 (E_RNA) where: Base-Base interactions energy: -8.992 where: short stacking energy: -8.992 Base-Backbone interact. energy: -0.043 local terms energy: -20.034045 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -5.501 flat angles C4'-P-C4' energy: -5.037 flat angles P-C4'-P energy: -3.207 tors. eta vs tors. theta energy: -1.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 474 Temperature: 1.200000 Total energy: -28.297851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.297851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.297851 (E_RNA) where: Base-Base interactions energy: -6.919 where: short stacking energy: -6.919 Base-Backbone interact. energy: -0.376 local terms energy: -21.003262 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -5.399 flat angles P-C4'-P energy: -2.575 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: 8, replica: 9 ===================================== Write number: 474 Temperature: 1.250000 Total energy: -28.605456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.605456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.605456 (E_RNA) where: Base-Base interactions energy: -9.532 where: short stacking energy: -9.532 Base-Backbone interact. energy: -0.000 local terms energy: -19.072950 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -5.040 flat angles C4'-P-C4' energy: -5.766 flat angles P-C4'-P energy: -0.626 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: 9, replica: 6 ===================================== Write number: 474 Temperature: 1.300000 Total energy: -25.688025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.688025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.688025 (E_RNA) where: Base-Base interactions energy: -6.243 where: short stacking energy: -6.243 Base-Backbone interact. energy: -0.100 local terms energy: -19.345274 where: bonds (distance) C4'-P energy: -2.062 bonds (distance) P-C4' energy: -5.072 flat angles C4'-P-C4' energy: -4.356 flat angles P-C4'-P energy: -3.517 tors. eta vs tors. theta energy: -4.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 474 Temperature: 1.350000 Total energy: -25.141978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.141978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.141978 (E_RNA) where: Base-Base interactions energy: -6.894 where: short stacking energy: -6.894 Base-Backbone interact. energy: -0.032 local terms energy: -18.215389 where: bonds (distance) C4'-P energy: -4.397 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -2.885 flat angles P-C4'-P energy: -2.692 tors. eta vs tors. theta energy: -2.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 475 Temperature: 0.900000 Total energy: -38.402074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.402074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.402074 (E_RNA) where: Base-Base interactions energy: -16.504 where: short stacking energy: -16.504 Base-Backbone interact. energy: -0.002 local terms energy: -21.896214 where: bonds (distance) C4'-P energy: -3.536 bonds (distance) P-C4' energy: -4.939 flat angles C4'-P-C4' energy: -5.608 flat angles P-C4'-P energy: -4.170 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: 2, replica: 3 ===================================== Write number: 475 Temperature: 0.950000 Total energy: -32.660625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.660625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.660625 (E_RNA) where: Base-Base interactions energy: -13.220 where: short stacking energy: -7.699 Base-Backbone interact. energy: -0.010 local terms energy: -19.430747 where: bonds (distance) C4'-P energy: -4.529 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -5.609 flat angles P-C4'-P energy: -4.036 tors. eta vs tors. theta energy: 0.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 475 Temperature: 1.000000 Total energy: -36.334702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.334702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.334702 (E_RNA) where: Base-Base interactions energy: -12.287 where: short stacking energy: -12.287 Base-Backbone interact. energy: -0.000 local terms energy: -24.047682 where: bonds (distance) C4'-P energy: -4.529 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -5.572 flat angles P-C4'-P energy: -3.466 tors. eta vs tors. theta energy: -4.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 475 Temperature: 1.050000 Total energy: -31.874690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.874690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.874690 (E_RNA) where: Base-Base interactions energy: -10.842 where: short stacking energy: -10.842 Base-Backbone interact. energy: -0.000 local terms energy: -21.033060 where: bonds (distance) C4'-P energy: -5.018 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -4.906 flat angles P-C4'-P energy: -2.672 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: 8 ===================================== Write number: 475 Temperature: 1.100000 Total energy: -27.838824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.838824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.838824 (E_RNA) where: Base-Base interactions energy: -8.572 where: short stacking energy: -8.572 Base-Backbone interact. energy: -0.017 local terms energy: -19.250495 where: bonds (distance) C4'-P energy: -4.307 bonds (distance) P-C4' energy: -5.231 flat angles C4'-P-C4' energy: -5.011 flat angles P-C4'-P energy: -3.854 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: 6, replica: 4 ===================================== Write number: 475 Temperature: 1.150000 Total energy: -25.460320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.460320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.460320 (E_RNA) where: Base-Base interactions energy: -8.597 where: short stacking energy: -8.597 Base-Backbone interact. energy: -0.000 local terms energy: -16.863499 where: bonds (distance) C4'-P energy: -4.140 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -4.734 flat angles P-C4'-P energy: 0.264 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: 7, replica: 5 ===================================== Write number: 475 Temperature: 1.200000 Total energy: -26.270947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.270947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.270947 (E_RNA) where: Base-Base interactions energy: -4.185 where: short stacking energy: -4.185 Base-Backbone interact. energy: -0.005 local terms energy: -22.081057 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -5.393 flat angles P-C4'-P energy: -4.058 tors. eta vs tors. theta energy: -2.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 475 Temperature: 1.250000 Total energy: -28.526208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.526208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.526208 (E_RNA) where: Base-Base interactions energy: -9.177 where: short stacking energy: -9.177 Base-Backbone interact. energy: -0.033 local terms energy: -19.316667 where: bonds (distance) C4'-P energy: -4.637 bonds (distance) P-C4' energy: -4.706 flat angles C4'-P-C4' energy: -4.189 flat angles P-C4'-P energy: -3.680 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: 475 Temperature: 1.300000 Total energy: -29.096641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.096641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.096641 (E_RNA) where: Base-Base interactions energy: -9.934 where: short stacking energy: -9.934 Base-Backbone interact. energy: -0.002 local terms energy: -19.160993 where: bonds (distance) C4'-P energy: -4.555 bonds (distance) P-C4' energy: -3.962 flat angles C4'-P-C4' energy: -4.631 flat angles P-C4'-P energy: -2.205 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: 10, replica: 7 ===================================== Write number: 475 Temperature: 1.350000 Total energy: -26.687069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.687069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.687069 (E_RNA) where: Base-Base interactions energy: -7.565 where: short stacking energy: -7.565 Base-Backbone interact. energy: -0.097 local terms energy: -19.025077 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -4.702 flat angles C4'-P-C4' energy: -4.928 flat angles P-C4'-P energy: -4.025 tors. eta vs tors. theta energy: 0.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 476 Temperature: 0.900000 Total energy: -36.216696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.216696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.216696 (E_RNA) where: Base-Base interactions energy: -14.734 where: short stacking energy: -14.734 Base-Backbone interact. energy: -0.092 local terms energy: -21.390488 where: bonds (distance) C4'-P energy: -5.275 bonds (distance) P-C4' energy: -5.258 flat angles C4'-P-C4' energy: -4.853 flat angles P-C4'-P energy: -4.536 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: 2 ===================================== Write number: 476 Temperature: 0.950000 Total energy: -31.343947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.343947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.343947 (E_RNA) where: Base-Base interactions energy: -9.640 where: short stacking energy: -9.640 Base-Backbone interact. energy: -0.038 local terms energy: -21.666806 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -5.463 flat angles C4'-P-C4' energy: -5.667 flat angles P-C4'-P energy: -3.215 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: 3, replica: 10 ===================================== Write number: 476 Temperature: 1.000000 Total energy: -29.003337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.003337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.003337 (E_RNA) where: Base-Base interactions energy: -11.080 where: short stacking energy: -11.080 Base-Backbone interact. energy: -0.016 local terms energy: -17.907296 where: bonds (distance) C4'-P energy: -3.644 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -3.568 flat angles P-C4'-P energy: -2.967 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: 4, replica: 1 ===================================== Write number: 476 Temperature: 1.050000 Total energy: -28.918408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.918408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.918408 (E_RNA) where: Base-Base interactions energy: -6.743 where: short stacking energy: -6.743 Base-Backbone interact. energy: -0.000 local terms energy: -22.174994 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -4.973 flat angles C4'-P-C4' energy: -3.261 flat angles P-C4'-P energy: -4.223 tors. eta vs tors. theta energy: -5.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 476 Temperature: 1.100000 Total energy: -29.674633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.674633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.674633 (E_RNA) where: Base-Base interactions energy: -11.632 where: short stacking energy: -11.632 Base-Backbone interact. energy: -0.072 local terms energy: -17.970761 where: bonds (distance) C4'-P energy: -3.462 bonds (distance) P-C4' energy: -4.381 flat angles C4'-P-C4' energy: -4.734 flat angles P-C4'-P energy: -4.477 tors. eta vs tors. theta energy: -0.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 476 Temperature: 1.150000 Total energy: -30.056737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.056737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.056737 (E_RNA) where: Base-Base interactions energy: -8.174 where: short stacking energy: -8.174 Base-Backbone interact. energy: -0.031 local terms energy: -21.851335 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -4.875 flat angles C4'-P-C4' energy: -5.059 flat angles P-C4'-P energy: -3.635 tors. eta vs tors. theta energy: -2.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 476 Temperature: 1.200000 Total energy: -26.476055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.476055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.476055 (E_RNA) where: Base-Base interactions energy: -7.752 where: short stacking energy: -7.752 Base-Backbone interact. energy: -0.021 local terms energy: -18.702989 where: bonds (distance) C4'-P energy: -4.297 bonds (distance) P-C4' energy: -5.047 flat angles C4'-P-C4' energy: -3.244 flat angles P-C4'-P energy: -4.012 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: 8, replica: 5 ===================================== Write number: 476 Temperature: 1.250000 Total energy: -31.303852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.303852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.303852 (E_RNA) where: Base-Base interactions energy: -10.425 where: short stacking energy: -10.425 Base-Backbone interact. energy: -0.000 local terms energy: -20.879117 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -5.460 flat angles C4'-P-C4' energy: -5.041 flat angles P-C4'-P energy: -2.144 tors. eta vs tors. theta energy: -3.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 476 Temperature: 1.300000 Total energy: -23.886749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.886749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.886749 (E_RNA) where: Base-Base interactions energy: -6.892 where: short stacking energy: -6.892 Base-Backbone interact. energy: -0.000 local terms energy: -16.994969 where: bonds (distance) C4'-P energy: -4.637 bonds (distance) P-C4' energy: -5.333 flat angles C4'-P-C4' energy: -3.989 flat angles P-C4'-P energy: -1.637 tors. eta vs tors. theta energy: -1.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 476 Temperature: 1.350000 Total energy: -27.937019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.937019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.937019 (E_RNA) where: Base-Base interactions energy: -7.379 where: short stacking energy: -7.379 Base-Backbone interact. energy: -0.000 local terms energy: -20.557775 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.043 flat angles C4'-P-C4' energy: -4.697 flat angles P-C4'-P energy: -3.222 tors. eta vs tors. theta energy: -2.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 477 Temperature: 0.900000 Total energy: -35.476195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.476195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.476195 (E_RNA) where: Base-Base interactions energy: -14.960 where: short stacking energy: -14.960 Base-Backbone interact. energy: -0.004 local terms energy: -20.512673 where: bonds (distance) C4'-P energy: -4.405 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -4.236 flat angles P-C4'-P energy: -1.968 tors. eta vs tors. theta energy: -4.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 477 Temperature: 0.950000 Total energy: -39.614712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.614712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.614712 (E_RNA) where: Base-Base interactions energy: -14.947 where: short stacking energy: -15.047 Base-Backbone interact. energy: -0.007 local terms energy: -24.660844 where: bonds (distance) C4'-P energy: -4.555 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.648 flat angles P-C4'-P energy: -4.152 tors. eta vs tors. theta energy: -4.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 477 Temperature: 1.000000 Total energy: -32.341792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.341792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.341792 (E_RNA) where: Base-Base interactions energy: -10.052 where: short stacking energy: -10.052 Base-Backbone interact. energy: -0.000 local terms energy: -22.289596 where: bonds (distance) C4'-P energy: -4.227 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.927 flat angles P-C4'-P energy: -4.304 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: 4, replica: 4 ===================================== Write number: 477 Temperature: 1.050000 Total energy: -31.527822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.527822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.527822 (E_RNA) where: Base-Base interactions energy: -11.762 where: short stacking energy: -11.762 Base-Backbone interact. energy: -0.019 local terms energy: -19.747367 where: bonds (distance) C4'-P energy: -2.000 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.996 flat angles P-C4'-P energy: -3.909 tors. eta vs tors. theta energy: -2.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 477 Temperature: 1.100000 Total energy: -24.887921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.887921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.887921 (E_RNA) where: Base-Base interactions energy: -6.399 where: short stacking energy: -6.399 Base-Backbone interact. energy: -0.095 local terms energy: -18.394444 where: bonds (distance) C4'-P energy: -4.219 bonds (distance) P-C4' energy: -6.239 flat angles C4'-P-C4' energy: -4.425 flat angles P-C4'-P energy: -2.437 tors. eta vs tors. theta energy: -1.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 477 Temperature: 1.150000 Total energy: -31.811335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.811335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.811335 (E_RNA) where: Base-Base interactions energy: -12.593 where: short stacking energy: -12.593 Base-Backbone interact. energy: -0.001 local terms energy: -19.217336 where: bonds (distance) C4'-P energy: -4.725 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -4.232 flat angles P-C4'-P energy: -2.639 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: 7, replica: 8 ===================================== Write number: 477 Temperature: 1.200000 Total energy: -26.881402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.881402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.881402 (E_RNA) where: Base-Base interactions energy: -7.916 where: short stacking energy: -7.916 Base-Backbone interact. energy: -0.000 local terms energy: -18.964931 where: bonds (distance) C4'-P energy: -4.571 bonds (distance) P-C4' energy: -4.227 flat angles C4'-P-C4' energy: -3.441 flat angles P-C4'-P energy: -3.769 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: 8, replica: 7 ===================================== Write number: 477 Temperature: 1.250000 Total energy: -25.414766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.414766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.414766 (E_RNA) where: Base-Base interactions energy: -7.048 where: short stacking energy: -7.048 Base-Backbone interact. energy: -0.000 local terms energy: -18.366639 where: bonds (distance) C4'-P energy: -2.203 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -4.813 flat angles P-C4'-P energy: -2.703 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: 9, replica: 5 ===================================== Write number: 477 Temperature: 1.300000 Total energy: -30.040228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.040228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.040228 (E_RNA) where: Base-Base interactions energy: -13.789 where: short stacking energy: -13.789 Base-Backbone interact. energy: -0.000 local terms energy: -16.251231 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -3.761 flat angles C4'-P-C4' energy: -5.217 flat angles P-C4'-P energy: 1.134 tors. eta vs tors. theta energy: -3.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 477 Temperature: 1.350000 Total energy: -23.283729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.283729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.283729 (E_RNA) where: Base-Base interactions energy: -7.258 where: short stacking energy: -7.258 Base-Backbone interact. energy: -0.041 local terms energy: -15.984598 where: bonds (distance) C4'-P energy: -2.649 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.588 flat angles P-C4'-P energy: -3.589 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: 10 ===================================== Write number: 478 Temperature: 0.900000 Total energy: -34.703467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.703467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.703467 (E_RNA) where: Base-Base interactions energy: -15.018 where: short stacking energy: -15.018 Base-Backbone interact. energy: -0.001 local terms energy: -19.684347 where: bonds (distance) C4'-P energy: -4.733 bonds (distance) P-C4' energy: -5.065 flat angles C4'-P-C4' energy: -4.375 flat angles P-C4'-P energy: -3.855 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: 2, replica: 3 ===================================== Write number: 478 Temperature: 0.950000 Total energy: -34.906596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.906596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.906596 (E_RNA) where: Base-Base interactions energy: -13.251 where: short stacking energy: -13.251 Base-Backbone interact. energy: -0.000 local terms energy: -21.655315 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -4.949 flat angles C4'-P-C4' energy: -5.466 flat angles P-C4'-P energy: -3.344 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: 3, replica: 4 ===================================== Write number: 478 Temperature: 1.000000 Total energy: -30.661795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.661795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.661795 (E_RNA) where: Base-Base interactions energy: -10.879 where: short stacking energy: -10.879 Base-Backbone interact. energy: -0.000 local terms energy: -19.782594 where: bonds (distance) C4'-P energy: -3.871 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -5.274 flat angles P-C4'-P energy: -3.104 tors. eta vs tors. theta energy: -2.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 478 Temperature: 1.050000 Total energy: -28.944750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.944750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.944750 (E_RNA) where: Base-Base interactions energy: -8.461 where: short stacking energy: -8.461 Base-Backbone interact. energy: -0.060 local terms energy: -20.423817 where: bonds (distance) C4'-P energy: -4.485 bonds (distance) P-C4' energy: -5.724 flat angles C4'-P-C4' energy: -4.288 flat angles P-C4'-P energy: -4.148 tors. eta vs tors. theta energy: -1.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 478 Temperature: 1.100000 Total energy: -34.809961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.809961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.809961 (E_RNA) where: Base-Base interactions energy: -12.816 where: short stacking energy: -12.816 Base-Backbone interact. energy: -0.000 local terms energy: -21.993657 where: bonds (distance) C4'-P energy: -4.725 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.427 flat angles P-C4'-P energy: -2.539 tors. eta vs tors. theta energy: -4.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 478 Temperature: 1.150000 Total energy: -33.007257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.007257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.007257 (E_RNA) where: Base-Base interactions energy: -13.363 where: short stacking energy: -13.363 Base-Backbone interact. energy: -0.000 local terms energy: -19.644101 where: bonds (distance) C4'-P energy: -4.563 bonds (distance) P-C4' energy: -3.529 flat angles C4'-P-C4' energy: -5.103 flat angles P-C4'-P energy: -3.089 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: 7, replica: 7 ===================================== Write number: 478 Temperature: 1.200000 Total energy: -26.974705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.974705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.974705 (E_RNA) where: Base-Base interactions energy: -7.831 where: short stacking energy: -7.831 Base-Backbone interact. energy: -0.049 local terms energy: -19.094909 where: bonds (distance) C4'-P energy: -3.420 bonds (distance) P-C4' energy: -5.730 flat angles C4'-P-C4' energy: -4.677 flat angles P-C4'-P energy: -4.358 tors. eta vs tors. theta energy: -0.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 478 Temperature: 1.250000 Total energy: -26.698598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.698598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.698598 (E_RNA) where: Base-Base interactions energy: -8.069 where: short stacking energy: -8.069 Base-Backbone interact. energy: -0.000 local terms energy: -18.629188 where: bonds (distance) C4'-P energy: -4.278 bonds (distance) P-C4' energy: -4.942 flat angles C4'-P-C4' energy: -4.133 flat angles P-C4'-P energy: -3.393 tors. eta vs tors. theta energy: -1.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 478 Temperature: 1.300000 Total energy: -26.514438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.514438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.514438 (E_RNA) where: Base-Base interactions energy: -7.249 where: short stacking energy: -7.249 Base-Backbone interact. energy: -0.000 local terms energy: -19.265564 where: bonds (distance) C4'-P energy: -5.275 bonds (distance) P-C4' energy: -3.568 flat angles C4'-P-C4' energy: -4.443 flat angles P-C4'-P energy: -4.287 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: 10, replica: 5 ===================================== Write number: 478 Temperature: 1.350000 Total energy: -29.605831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.605831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.605831 (E_RNA) where: Base-Base interactions energy: -6.874 where: short stacking energy: -7.374 Base-Backbone interact. energy: -0.000 local terms energy: -22.731825 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -2.678 flat angles P-C4'-P energy: -4.768 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: 1, replica: 10 ===================================== Write number: 479 Temperature: 0.900000 Total energy: -34.723415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.723415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.723415 (E_RNA) where: Base-Base interactions energy: -13.955 where: short stacking energy: -13.955 Base-Backbone interact. energy: -0.000 local terms energy: -20.768156 where: bonds (distance) C4'-P energy: -2.336 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.447 flat angles P-C4'-P energy: -3.910 tors. eta vs tors. theta energy: -3.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 479 Temperature: 0.950000 Total energy: -33.370379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.370379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.370379 (E_RNA) where: Base-Base interactions energy: -10.815 where: short stacking energy: -10.815 Base-Backbone interact. energy: -0.000 local terms energy: -22.554475 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -3.743 flat angles P-C4'-P energy: -4.626 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: 3, replica: 3 ===================================== Write number: 479 Temperature: 1.000000 Total energy: -29.501444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.501444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.501444 (E_RNA) where: Base-Base interactions energy: -9.071 where: short stacking energy: -9.071 Base-Backbone interact. energy: -0.016 local terms energy: -20.414348 where: bonds (distance) C4'-P energy: -4.219 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -4.017 flat angles P-C4'-P energy: -3.821 tors. eta vs tors. theta energy: -2.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 479 Temperature: 1.050000 Total energy: -33.395099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.395099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.395099 (E_RNA) where: Base-Base interactions energy: -15.345 where: short stacking energy: -15.345 Base-Backbone interact. energy: -0.000 local terms energy: -18.050273 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -5.227 flat angles C4'-P-C4' energy: -4.570 flat angles P-C4'-P energy: -1.186 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: 5, replica: 9 ===================================== Write number: 479 Temperature: 1.100000 Total energy: -31.659905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.659905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.659905 (E_RNA) where: Base-Base interactions energy: -13.168 where: short stacking energy: -13.168 Base-Backbone interact. energy: -0.000 local terms energy: -18.491807 where: bonds (distance) C4'-P energy: -4.041 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -3.725 flat angles P-C4'-P energy: -2.474 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: 479 Temperature: 1.150000 Total energy: -29.231840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.231840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.231840 (E_RNA) where: Base-Base interactions energy: -11.838 where: short stacking energy: -11.838 Base-Backbone interact. energy: -0.003 local terms energy: -17.391346 where: bonds (distance) C4'-P energy: -2.071 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.812 flat angles P-C4'-P energy: -3.422 tors. eta vs tors. theta energy: -1.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 479 Temperature: 1.200000 Total energy: -29.176566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.176566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.176566 (E_RNA) where: Base-Base interactions energy: -12.902 where: short stacking energy: -12.902 Base-Backbone interact. energy: -0.000 local terms energy: -16.274476 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -2.838 flat angles C4'-P-C4' energy: -4.707 flat angles P-C4'-P energy: -2.792 tors. eta vs tors. theta energy: -1.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 479 Temperature: 1.250000 Total energy: -27.728406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.728406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.728406 (E_RNA) where: Base-Base interactions energy: -7.498 where: short stacking energy: -7.498 Base-Backbone interact. energy: -0.101 local terms energy: -20.129030 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -4.935 flat angles C4'-P-C4' energy: -4.607 flat angles P-C4'-P energy: -4.140 tors. eta vs tors. theta energy: -1.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 479 Temperature: 1.300000 Total energy: -26.105338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.105338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.105338 (E_RNA) where: Base-Base interactions energy: -8.153 where: short stacking energy: -8.153 Base-Backbone interact. energy: -0.007 local terms energy: -17.944631 where: bonds (distance) C4'-P energy: -5.018 bonds (distance) P-C4' energy: -4.177 flat angles C4'-P-C4' energy: -4.636 flat angles P-C4'-P energy: -3.344 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: 5 ===================================== Write number: 479 Temperature: 1.350000 Total energy: -27.250941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.250941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.250941 (E_RNA) where: Base-Base interactions energy: -10.408 where: short stacking energy: -10.408 Base-Backbone interact. energy: -0.095 local terms energy: -16.747481 where: bonds (distance) C4'-P energy: -3.760 bonds (distance) P-C4' energy: -4.255 flat angles C4'-P-C4' energy: -4.234 flat angles P-C4'-P energy: -2.717 tors. eta vs tors. theta energy: -1.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 480 Temperature: 0.900000 Total energy: -30.084335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.084335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.084335 (E_RNA) where: Base-Base interactions energy: -11.379 where: short stacking energy: -11.379 Base-Backbone interact. energy: -0.002 local terms energy: -18.703015 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -5.258 flat angles C4'-P-C4' energy: -3.031 flat angles P-C4'-P energy: -2.943 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: 2, replica: 10 ===================================== Write number: 480 Temperature: 0.950000 Total energy: -33.378293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.378293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.378293 (E_RNA) where: Base-Base interactions energy: -11.239 where: short stacking energy: -11.239 Base-Backbone interact. energy: -0.000 local terms energy: -22.139374 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -5.013 flat angles P-C4'-P energy: -3.719 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: 3, replica: 2 ===================================== Write number: 480 Temperature: 1.000000 Total energy: -34.852728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.852728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.852728 (E_RNA) where: Base-Base interactions energy: -12.076 where: short stacking energy: -12.076 Base-Backbone interact. energy: -0.009 local terms energy: -22.767674 where: bonds (distance) C4'-P energy: -4.778 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -5.401 flat angles P-C4'-P energy: -3.717 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: 4, replica: 3 ===================================== Write number: 480 Temperature: 1.050000 Total energy: -29.851026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.851026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.851026 (E_RNA) where: Base-Base interactions energy: -8.835 where: short stacking energy: -8.835 Base-Backbone interact. energy: -0.019 local terms energy: -20.996340 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -5.073 flat angles P-C4'-P energy: -3.628 tors. eta vs tors. theta energy: -0.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 480 Temperature: 1.100000 Total energy: -31.183438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.183438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.183438 (E_RNA) where: Base-Base interactions energy: -13.444 where: short stacking energy: -13.444 Base-Backbone interact. energy: -0.077 local terms energy: -17.662995 where: bonds (distance) C4'-P energy: -2.744 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.166 flat angles P-C4'-P energy: -3.167 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: 6, replica: 9 ===================================== Write number: 480 Temperature: 1.150000 Total energy: -30.120131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.120131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.120131 (E_RNA) where: Base-Base interactions energy: -10.459 where: short stacking energy: -10.459 Base-Backbone interact. energy: -0.003 local terms energy: -19.657868 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.046 flat angles P-C4'-P energy: -2.537 tors. eta vs tors. theta energy: -2.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 480 Temperature: 1.200000 Total energy: -24.715962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.715962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.715962 (E_RNA) where: Base-Base interactions energy: -6.392 where: short stacking energy: -6.392 Base-Backbone interact. energy: -0.001 local terms energy: -18.323740 where: bonds (distance) C4'-P energy: -4.563 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -4.642 flat angles P-C4'-P energy: -2.252 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: 8, replica: 7 ===================================== Write number: 480 Temperature: 1.250000 Total energy: -26.070911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.070911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.070911 (E_RNA) where: Base-Base interactions energy: -6.280 where: short stacking energy: -6.280 Base-Backbone interact. energy: -0.000 local terms energy: -19.791360 where: bonds (distance) C4'-P energy: -4.911 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -4.841 flat angles P-C4'-P energy: -2.251 tors. eta vs tors. theta energy: -2.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 480 Temperature: 1.300000 Total energy: -29.632004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.632004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.632004 (E_RNA) where: Base-Base interactions energy: -10.830 where: short stacking energy: -10.830 Base-Backbone interact. energy: -0.000 local terms energy: -18.801644 where: bonds (distance) C4'-P energy: -1.971 bonds (distance) P-C4' energy: -4.839 flat angles C4'-P-C4' energy: -4.638 flat angles P-C4'-P energy: -3.475 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: 10, replica: 8 ===================================== Write number: 480 Temperature: 1.350000 Total energy: -28.737347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.737347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.737347 (E_RNA) where: Base-Base interactions energy: -5.972 where: short stacking energy: -5.972 Base-Backbone interact. energy: -0.000 local terms energy: -22.764430 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.937 flat angles P-C4'-P energy: -3.599 tors. eta vs tors. theta energy: -2.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 481 Temperature: 0.900000 Total energy: -38.586768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.586768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.586768 (E_RNA) where: Base-Base interactions energy: -15.600 where: short stacking energy: -15.600 Base-Backbone interact. energy: -0.050 local terms energy: -22.937165 where: bonds (distance) C4'-P energy: -4.911 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -4.430 flat angles P-C4'-P energy: -4.138 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: 2, replica: 2 ===================================== Write number: 481 Temperature: 0.950000 Total energy: -29.174858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.174858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.174858 (E_RNA) where: Base-Base interactions energy: -8.331 where: short stacking energy: -8.331 Base-Backbone interact. energy: -0.000 local terms energy: -20.843206 where: bonds (distance) C4'-P energy: -5.829 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -3.987 flat angles P-C4'-P energy: -3.352 tors. eta vs tors. theta energy: -1.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 481 Temperature: 1.000000 Total energy: -34.861115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.861115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.861115 (E_RNA) where: Base-Base interactions energy: -13.777 where: short stacking energy: -13.777 Base-Backbone interact. energy: 0.376 local terms energy: -21.460819 where: bonds (distance) C4'-P energy: -3.382 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.492 flat angles P-C4'-P energy: -4.107 tors. eta vs tors. theta energy: -3.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 481 Temperature: 1.050000 Total energy: -34.822258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.822258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.822258 (E_RNA) where: Base-Base interactions energy: -12.820 where: short stacking energy: -12.820 Base-Backbone interact. energy: -0.000 local terms energy: -22.002600 where: bonds (distance) C4'-P energy: -5.126 bonds (distance) P-C4' energy: -5.463 flat angles C4'-P-C4' energy: -5.509 flat angles P-C4'-P energy: -4.380 tors. eta vs tors. theta energy: -1.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 481 Temperature: 1.100000 Total energy: -30.061477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.061477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.061477 (E_RNA) where: Base-Base interactions energy: -9.507 where: short stacking energy: -9.507 Base-Backbone interact. energy: -0.001 local terms energy: -20.552764 where: bonds (distance) C4'-P energy: -4.547 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -5.114 flat angles P-C4'-P energy: -3.857 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: 6, replica: 6 ===================================== Write number: 481 Temperature: 1.150000 Total energy: -28.061704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.061704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.061704 (E_RNA) where: Base-Base interactions energy: -9.525 where: short stacking energy: -9.525 Base-Backbone interact. energy: -0.002 local terms energy: -18.534433 where: bonds (distance) C4'-P energy: -4.840 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.752 flat angles P-C4'-P energy: -2.779 tors. eta vs tors. theta energy: -0.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 481 Temperature: 1.200000 Total energy: -26.142514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.142514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.142514 (E_RNA) where: Base-Base interactions energy: -9.161 where: short stacking energy: -9.161 Base-Backbone interact. energy: -0.000 local terms energy: -16.981102 where: bonds (distance) C4'-P energy: -3.909 bonds (distance) P-C4' energy: -5.494 flat angles C4'-P-C4' energy: -3.956 flat angles P-C4'-P energy: -3.411 tors. eta vs tors. theta energy: -0.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 481 Temperature: 1.250000 Total energy: -33.982154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.982154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.982154 (E_RNA) where: Base-Base interactions energy: -11.657 where: short stacking energy: -11.657 Base-Backbone interact. energy: -0.000 local terms energy: -22.325590 where: bonds (distance) C4'-P energy: -4.423 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -3.096 flat angles P-C4'-P energy: -4.209 tors. eta vs tors. theta energy: -5.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 481 Temperature: 1.300000 Total energy: -34.470201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.470201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.470201 (E_RNA) where: Base-Base interactions energy: -14.369 where: short stacking energy: -14.369 Base-Backbone interact. energy: -0.000 local terms energy: -20.100928 where: bonds (distance) C4'-P energy: -2.203 bonds (distance) P-C4' energy: -4.599 flat angles C4'-P-C4' energy: -4.867 flat angles P-C4'-P energy: -4.386 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: 10, replica: 8 ===================================== Write number: 481 Temperature: 1.350000 Total energy: -27.731938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.731938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.731938 (E_RNA) where: Base-Base interactions energy: -6.304 where: short stacking energy: -6.304 Base-Backbone interact. energy: -0.000 local terms energy: -21.428249 where: bonds (distance) C4'-P energy: -4.865 bonds (distance) P-C4' energy: -5.460 flat angles C4'-P-C4' energy: -4.807 flat angles P-C4'-P energy: -4.171 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: 1, replica: 2 ===================================== Write number: 482 Temperature: 0.900000 Total energy: -33.719075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.719075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.719075 (E_RNA) where: Base-Base interactions energy: -12.353 where: short stacking energy: -12.353 Base-Backbone interact. energy: -0.000 local terms energy: -21.365807 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -3.889 flat angles P-C4'-P energy: -3.837 tors. eta vs tors. theta energy: -3.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 482 Temperature: 0.950000 Total energy: -32.206181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.206181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.206181 (E_RNA) where: Base-Base interactions energy: -11.973 where: short stacking energy: -11.973 Base-Backbone interact. energy: -0.000 local terms energy: -20.233213 where: bonds (distance) C4'-P energy: -4.609 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -3.357 flat angles P-C4'-P energy: -3.502 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: 3, replica: 1 ===================================== Write number: 482 Temperature: 1.000000 Total energy: -31.792408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.792408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.792408 (E_RNA) where: Base-Base interactions energy: -12.044 where: short stacking energy: -12.044 Base-Backbone interact. energy: -0.094 local terms energy: -19.654778 where: bonds (distance) C4'-P energy: -4.157 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -3.225 flat angles P-C4'-P energy: -4.258 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: 4, replica: 10 ===================================== Write number: 482 Temperature: 1.050000 Total energy: -28.076782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.076782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.076782 (E_RNA) where: Base-Base interactions energy: -8.256 where: short stacking energy: -8.256 Base-Backbone interact. energy: -0.018 local terms energy: -19.803244 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -5.783 flat angles C4'-P-C4' energy: -5.077 flat angles P-C4'-P energy: -4.067 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: 5, replica: 6 ===================================== Write number: 482 Temperature: 1.100000 Total energy: -28.396062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.396062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.396062 (E_RNA) where: Base-Base interactions energy: -10.364 where: short stacking energy: -10.364 Base-Backbone interact. energy: -0.048 local terms energy: -17.984509 where: bonds (distance) C4'-P energy: -3.109 bonds (distance) P-C4' energy: -4.682 flat angles C4'-P-C4' energy: -5.022 flat angles P-C4'-P energy: -3.690 tors. eta vs tors. theta energy: -1.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 482 Temperature: 1.150000 Total energy: -25.354623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.354623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.354623 (E_RNA) where: Base-Base interactions energy: -6.872 where: short stacking energy: -5.916 Base-Backbone interact. energy: -0.038 local terms energy: -18.444312 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -4.143 flat angles P-C4'-P energy: -2.899 tors. eta vs tors. theta energy: -0.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 482 Temperature: 1.200000 Total energy: -26.389405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.389405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.389405 (E_RNA) where: Base-Base interactions energy: -9.249 where: short stacking energy: -9.249 Base-Backbone interact. energy: -0.008 local terms energy: -17.132001 where: bonds (distance) C4'-P energy: -3.784 bonds (distance) P-C4' energy: -4.531 flat angles C4'-P-C4' energy: -3.396 flat angles P-C4'-P energy: -3.781 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: 8, replica: 9 ===================================== Write number: 482 Temperature: 1.250000 Total energy: -28.036361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.036361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.036361 (E_RNA) where: Base-Base interactions energy: -8.856 where: short stacking energy: -8.856 Base-Backbone interact. energy: -0.000 local terms energy: -19.179951 where: bonds (distance) C4'-P energy: -4.547 bonds (distance) P-C4' energy: -4.860 flat angles C4'-P-C4' energy: -5.044 flat angles P-C4'-P energy: -3.058 tors. eta vs tors. theta energy: -1.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 482 Temperature: 1.300000 Total energy: -27.818745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.818745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.818745 (E_RNA) where: Base-Base interactions energy: -7.094 where: short stacking energy: -7.094 Base-Backbone interact. energy: -0.000 local terms energy: -20.724230 where: bonds (distance) C4'-P energy: -3.723 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.831 flat angles P-C4'-P energy: -4.191 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: 7 ===================================== Write number: 482 Temperature: 1.350000 Total energy: -24.658633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.658633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.658633 (E_RNA) where: Base-Base interactions energy: -11.701 where: short stacking energy: -11.701 Base-Backbone interact. energy: -0.122 local terms energy: -12.835456 where: bonds (distance) C4'-P energy: 1.325 bonds (distance) P-C4' energy: -4.639 flat angles C4'-P-C4' energy: -5.364 flat angles P-C4'-P energy: -3.677 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: 2 ===================================== Write number: 483 Temperature: 0.900000 Total energy: -33.230107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.230107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.230107 (E_RNA) where: Base-Base interactions energy: -11.928 where: short stacking energy: -11.928 Base-Backbone interact. energy: -0.000 local terms energy: -21.302344 where: bonds (distance) C4'-P energy: -4.140 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.083 flat angles P-C4'-P energy: -2.582 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: 2, replica: 1 ===================================== Write number: 483 Temperature: 0.950000 Total energy: -33.849228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.849228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.849228 (E_RNA) where: Base-Base interactions energy: -12.173 where: short stacking energy: -12.173 Base-Backbone interact. energy: -0.000 local terms energy: -21.676286 where: bonds (distance) C4'-P energy: -4.485 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -4.356 flat angles P-C4'-P energy: -3.518 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: 4 ===================================== Write number: 483 Temperature: 1.000000 Total energy: -33.194519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.194519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.194519 (E_RNA) where: Base-Base interactions energy: -10.716 where: short stacking energy: -10.716 Base-Backbone interact. energy: -0.000 local terms energy: -22.478813 where: bonds (distance) C4'-P energy: -5.196 bonds (distance) P-C4' energy: -5.730 flat angles C4'-P-C4' energy: -1.670 flat angles P-C4'-P energy: -4.723 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: 4, replica: 6 ===================================== Write number: 483 Temperature: 1.050000 Total energy: -32.097672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.097672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.097672 (E_RNA) where: Base-Base interactions energy: -10.186 where: short stacking energy: -10.186 Base-Backbone interact. energy: -0.000 local terms energy: -21.911859 where: bonds (distance) C4'-P energy: -5.027 bonds (distance) P-C4' energy: -4.195 flat angles C4'-P-C4' energy: -4.826 flat angles P-C4'-P energy: -3.626 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: 5, replica: 10 ===================================== Write number: 483 Temperature: 1.100000 Total energy: -33.108451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.108451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.108451 (E_RNA) where: Base-Base interactions energy: -14.262 where: short stacking energy: -14.262 Base-Backbone interact. energy: -0.001 local terms energy: -18.844848 where: bonds (distance) C4'-P energy: -4.840 bonds (distance) P-C4' energy: -2.623 flat angles C4'-P-C4' energy: -4.224 flat angles P-C4'-P energy: -3.552 tors. eta vs tors. theta energy: -3.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 483 Temperature: 1.150000 Total energy: -26.533738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.533738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.533738 (E_RNA) where: Base-Base interactions energy: -7.489 where: short stacking energy: -7.489 Base-Backbone interact. energy: -0.090 local terms energy: -18.954943 where: bonds (distance) C4'-P energy: -4.563 bonds (distance) P-C4' energy: -5.305 flat angles C4'-P-C4' energy: -5.505 flat angles P-C4'-P energy: -3.238 tors. eta vs tors. theta energy: -0.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 483 Temperature: 1.200000 Total energy: -24.835910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.835910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.835910 (E_RNA) where: Base-Base interactions energy: -4.338 where: short stacking energy: -4.338 Base-Backbone interact. energy: -0.000 local terms energy: -20.497777 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.992 flat angles P-C4'-P energy: -3.977 tors. eta vs tors. theta energy: -0.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 483 Temperature: 1.250000 Total energy: -25.436883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.436883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.436883 (E_RNA) where: Base-Base interactions energy: -6.094 where: short stacking energy: -6.094 Base-Backbone interact. energy: -0.000 local terms energy: -19.342341 where: bonds (distance) C4'-P energy: -5.196 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -3.813 flat angles P-C4'-P energy: -3.210 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: 8 ===================================== Write number: 483 Temperature: 1.300000 Total energy: -24.800122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.800122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.800122 (E_RNA) where: Base-Base interactions energy: -3.153 where: short stacking energy: -3.153 Base-Backbone interact. energy: -0.044 local terms energy: -21.602633 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.305 flat angles C4'-P-C4' energy: -5.317 flat angles P-C4'-P energy: -4.160 tors. eta vs tors. theta energy: -1.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 483 Temperature: 1.350000 Total energy: -24.187932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.187932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.187932 (E_RNA) where: Base-Base interactions energy: -6.813 where: short stacking energy: -6.813 Base-Backbone interact. energy: -0.063 local terms energy: -17.311963 where: bonds (distance) C4'-P energy: -3.544 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -4.519 flat angles P-C4'-P energy: -3.462 tors. eta vs tors. theta energy: 0.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 484 Temperature: 0.900000 Total energy: -29.927700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.927700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.927700 (E_RNA) where: Base-Base interactions energy: -8.760 where: short stacking energy: -8.760 Base-Backbone interact. energy: -0.000 local terms energy: -21.167371 where: bonds (distance) C4'-P energy: -4.273 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.583 flat angles P-C4'-P energy: -3.371 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: 2, replica: 1 ===================================== Write number: 484 Temperature: 0.950000 Total energy: -33.327253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.327253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.327253 (E_RNA) where: Base-Base interactions energy: -11.696 where: short stacking energy: -11.864 Base-Backbone interact. energy: -0.005 local terms energy: -21.625355 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -5.305 flat angles C4'-P-C4' energy: -5.015 flat angles P-C4'-P energy: -2.571 tors. eta vs tors. theta energy: -3.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 484 Temperature: 1.000000 Total energy: -35.217296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.217296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.217296 (E_RNA) where: Base-Base interactions energy: -14.500 where: short stacking energy: -14.500 Base-Backbone interact. energy: -0.000 local terms energy: -20.716947 where: bonds (distance) C4'-P energy: -4.493 bonds (distance) P-C4' energy: -4.681 flat angles C4'-P-C4' energy: -5.694 flat angles P-C4'-P energy: -2.310 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: 4 ===================================== Write number: 484 Temperature: 1.050000 Total energy: -29.657594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.657594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.657594 (E_RNA) where: Base-Base interactions energy: -9.580 where: short stacking energy: -9.580 Base-Backbone interact. energy: -0.001 local terms energy: -20.076973 where: bonds (distance) C4'-P energy: -4.041 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -2.856 flat angles P-C4'-P energy: -4.675 tors. eta vs tors. theta energy: -2.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 484 Temperature: 1.100000 Total energy: -30.445459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.445459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.445459 (E_RNA) where: Base-Base interactions energy: -10.833 where: short stacking energy: -10.833 Base-Backbone interact. energy: -0.003 local terms energy: -19.609523 where: bonds (distance) C4'-P energy: -3.536 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.022 flat angles P-C4'-P energy: -3.155 tors. eta vs tors. theta energy: -1.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 484 Temperature: 1.150000 Total energy: -25.603763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.603763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.603763 (E_RNA) where: Base-Base interactions energy: -7.176 where: short stacking energy: -7.176 Base-Backbone interact. energy: -0.033 local terms energy: -18.395512 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -4.516 flat angles P-C4'-P energy: -3.729 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: 7, replica: 9 ===================================== Write number: 484 Temperature: 1.200000 Total energy: -25.261084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.261084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.261084 (E_RNA) where: Base-Base interactions energy: -7.838 where: short stacking energy: -7.838 Base-Backbone interact. energy: -0.015 local terms energy: -17.408191 where: bonds (distance) C4'-P energy: -3.002 bonds (distance) P-C4' energy: -5.516 flat angles C4'-P-C4' energy: -5.675 flat angles P-C4'-P energy: -3.255 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: 3 ===================================== Write number: 484 Temperature: 1.250000 Total energy: -24.252698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.252698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.252698 (E_RNA) where: Base-Base interactions energy: -9.283 where: short stacking energy: -9.283 Base-Backbone interact. energy: -0.150 local terms energy: -14.820486 where: bonds (distance) C4'-P energy: -2.046 bonds (distance) P-C4' energy: -4.875 flat angles C4'-P-C4' energy: -4.619 flat angles P-C4'-P energy: -3.087 tors. eta vs tors. theta energy: -0.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 484 Temperature: 1.300000 Total energy: -22.369939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.369939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.369939 (E_RNA) where: Base-Base interactions energy: -11.196 where: short stacking energy: -6.787 Base-Backbone interact. energy: 0.508 local terms energy: -11.681551 where: bonds (distance) C4'-P energy: -1.698 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -4.086 flat angles P-C4'-P energy: -1.987 tors. eta vs tors. theta energy: 1.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 484 Temperature: 1.350000 Total energy: -24.136711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.136711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.136711 (E_RNA) where: Base-Base interactions energy: -2.599 where: short stacking energy: -2.599 Base-Backbone interact. energy: -0.099 local terms energy: -21.437921 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -5.207 flat angles P-C4'-P energy: -2.780 tors. eta vs tors. theta energy: -2.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 485 Temperature: 0.900000 Total energy: -34.425688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.425688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.425688 (E_RNA) where: Base-Base interactions energy: -11.461 where: short stacking energy: -11.461 Base-Backbone interact. energy: -0.000 local terms energy: -22.964422 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -5.175 flat angles P-C4'-P energy: -1.785 tors. eta vs tors. theta energy: -5.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 485 Temperature: 0.950000 Total energy: -34.962658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.962658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.962658 (E_RNA) where: Base-Base interactions energy: -14.299 where: short stacking energy: -14.299 Base-Backbone interact. energy: -0.000 local terms energy: -20.663206 where: bonds (distance) C4'-P energy: -3.899 bonds (distance) P-C4' energy: -4.019 flat angles C4'-P-C4' energy: -4.638 flat angles P-C4'-P energy: -4.437 tors. eta vs tors. theta energy: -3.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 485 Temperature: 1.000000 Total energy: -33.137162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.137162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.137162 (E_RNA) where: Base-Base interactions energy: -14.838 where: short stacking energy: -14.838 Base-Backbone interact. energy: -0.011 local terms energy: -18.288338 where: bonds (distance) C4'-P energy: -4.555 bonds (distance) P-C4' energy: -5.234 flat angles C4'-P-C4' energy: -4.761 flat angles P-C4'-P energy: -2.338 tors. eta vs tors. theta energy: -1.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 485 Temperature: 1.050000 Total energy: -29.622866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.622866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.622866 (E_RNA) where: Base-Base interactions energy: -11.112 where: short stacking energy: -11.112 Base-Backbone interact. energy: -0.004 local terms energy: -18.506653 where: bonds (distance) C4'-P energy: -3.367 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -4.046 flat angles P-C4'-P energy: -2.297 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: 5, replica: 4 ===================================== Write number: 485 Temperature: 1.100000 Total energy: -32.511079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.511079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.511079 (E_RNA) where: Base-Base interactions energy: -10.659 where: short stacking energy: -10.659 Base-Backbone interact. energy: -0.065 local terms energy: -21.786872 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -4.445 flat angles C4'-P-C4' energy: -5.485 flat angles P-C4'-P energy: -2.182 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: 6, replica: 9 ===================================== Write number: 485 Temperature: 1.150000 Total energy: -30.135189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.135189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.135189 (E_RNA) where: Base-Base interactions energy: -11.843 where: short stacking energy: -11.843 Base-Backbone interact. energy: -0.013 local terms energy: -18.279187 where: bonds (distance) C4'-P energy: -5.275 bonds (distance) P-C4' energy: -4.445 flat angles C4'-P-C4' energy: -4.348 flat angles P-C4'-P energy: -3.761 tors. eta vs tors. theta energy: -0.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 485 Temperature: 1.200000 Total energy: -25.784797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.784797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.784797 (E_RNA) where: Base-Base interactions energy: -5.224 where: short stacking energy: -5.224 Base-Backbone interact. energy: -0.152 local terms energy: -20.408846 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.631 flat angles P-C4'-P energy: -3.451 tors. eta vs tors. theta energy: -0.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 485 Temperature: 1.250000 Total energy: -28.100001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.100001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.100001 (E_RNA) where: Base-Base interactions energy: -10.854 where: short stacking energy: -10.854 Base-Backbone interact. energy: -0.047 local terms energy: -17.199613 where: bonds (distance) C4'-P energy: -4.219 bonds (distance) P-C4' energy: -3.765 flat angles C4'-P-C4' energy: -4.534 flat angles P-C4'-P energy: -3.592 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: 9, replica: 3 ===================================== Write number: 485 Temperature: 1.300000 Total energy: -28.666872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.666872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.666872 (E_RNA) where: Base-Base interactions energy: -8.680 where: short stacking energy: -8.680 Base-Backbone interact. energy: -0.000 local terms energy: -19.986845 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -1.719 flat angles P-C4'-P energy: -4.088 tors. eta vs tors. theta energy: -3.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 485 Temperature: 1.350000 Total energy: -24.642140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.642140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.642140 (E_RNA) where: Base-Base interactions energy: -3.365 where: short stacking energy: -3.365 Base-Backbone interact. energy: 0.397 local terms energy: -21.673851 where: bonds (distance) C4'-P energy: -4.778 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.708 flat angles P-C4'-P energy: -4.561 tors. eta vs tors. theta energy: -1.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 486 Temperature: 0.900000 Total energy: -34.952842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.952842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.952842 (E_RNA) where: Base-Base interactions energy: -12.754 where: short stacking energy: -12.754 Base-Backbone interact. energy: -0.000 local terms energy: -22.198606 where: bonds (distance) C4'-P energy: -4.609 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.712 flat angles P-C4'-P energy: -3.031 tors. eta vs tors. theta energy: -3.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 486 Temperature: 0.950000 Total energy: -31.768297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.768297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.768297 (E_RNA) where: Base-Base interactions energy: -9.546 where: short stacking energy: -9.546 Base-Backbone interact. energy: -0.001 local terms energy: -22.221159 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -3.864 flat angles P-C4'-P energy: -2.199 tors. eta vs tors. theta energy: -4.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 486 Temperature: 1.000000 Total energy: -33.151915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.151915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.151915 (E_RNA) where: Base-Base interactions energy: -12.471 where: short stacking energy: -12.471 Base-Backbone interact. energy: -0.038 local terms energy: -20.641996 where: bonds (distance) C4'-P energy: -4.716 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -5.275 flat angles P-C4'-P energy: -3.267 tors. eta vs tors. theta energy: -2.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 486 Temperature: 1.050000 Total energy: -31.453504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.453504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.453504 (E_RNA) where: Base-Base interactions energy: -11.127 where: short stacking energy: -11.127 Base-Backbone interact. energy: -0.000 local terms energy: -20.326612 where: bonds (distance) C4'-P energy: -4.199 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -5.363 flat angles P-C4'-P energy: -4.115 tors. eta vs tors. theta energy: -1.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 486 Temperature: 1.100000 Total energy: -32.363760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.363760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.363760 (E_RNA) where: Base-Base interactions energy: -12.913 where: short stacking energy: -12.913 Base-Backbone interact. energy: -0.100 local terms energy: -19.350565 where: bonds (distance) C4'-P energy: -4.609 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.729 flat angles P-C4'-P energy: -3.361 tors. eta vs tors. theta energy: -0.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 486 Temperature: 1.150000 Total energy: -29.671701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.671701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.671701 (E_RNA) where: Base-Base interactions energy: -10.197 where: short stacking energy: -10.197 Base-Backbone interact. energy: -0.010 local terms energy: -19.464689 where: bonds (distance) C4'-P energy: -5.010 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -4.928 flat angles P-C4'-P energy: -2.060 tors. eta vs tors. theta energy: -1.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 486 Temperature: 1.200000 Total energy: -27.731992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.731992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.731992 (E_RNA) where: Base-Base interactions energy: -7.820 where: short stacking energy: -7.820 Base-Backbone interact. energy: -0.093 local terms energy: -19.819364 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.628 flat angles P-C4'-P energy: -2.701 tors. eta vs tors. theta energy: -0.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 486 Temperature: 1.250000 Total energy: -26.953247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.953247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.953247 (E_RNA) where: Base-Base interactions energy: -10.485 where: short stacking energy: -10.485 Base-Backbone interact. energy: -0.001 local terms energy: -16.466623 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -5.258 flat angles C4'-P-C4' energy: -2.591 flat angles P-C4'-P energy: -3.649 tors. eta vs tors. theta energy: 0.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 486 Temperature: 1.300000 Total energy: -25.996432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.996432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.996432 (E_RNA) where: Base-Base interactions energy: -8.896 where: short stacking energy: -8.896 Base-Backbone interact. energy: -0.000 local terms energy: -17.100044 where: bonds (distance) C4'-P energy: -4.111 bonds (distance) P-C4' energy: -5.572 flat angles C4'-P-C4' energy: -2.617 flat angles P-C4'-P energy: -2.462 tors. eta vs tors. theta energy: -2.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 486 Temperature: 1.350000 Total energy: -25.432997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.432997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.432997 (E_RNA) where: Base-Base interactions energy: -4.606 where: short stacking energy: -4.606 Base-Backbone interact. energy: -0.000 local terms energy: -20.827025 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.127 flat angles P-C4'-P energy: -3.095 tors. eta vs tors. theta energy: -2.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 487 Temperature: 0.900000 Total energy: -35.342008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.342008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.342008 (E_RNA) where: Base-Base interactions energy: -14.793 where: short stacking energy: -14.793 Base-Backbone interact. energy: -0.284 local terms energy: -20.264897 where: bonds (distance) C4'-P energy: -2.497 bonds (distance) P-C4' energy: -5.516 flat angles C4'-P-C4' energy: -4.424 flat angles P-C4'-P energy: -3.591 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: 5 ===================================== Write number: 487 Temperature: 0.950000 Total energy: -34.267219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.267219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.267219 (E_RNA) where: Base-Base interactions energy: -11.171 where: short stacking energy: -11.171 Base-Backbone interact. energy: -0.027 local terms energy: -23.070009 where: bonds (distance) C4'-P energy: -5.598 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.376 flat angles P-C4'-P energy: -4.704 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: 2 ===================================== Write number: 487 Temperature: 1.000000 Total energy: -33.328379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.328379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.328379 (E_RNA) where: Base-Base interactions energy: -12.036 where: short stacking energy: -12.036 Base-Backbone interact. energy: -0.003 local terms energy: -21.289366 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.747 flat angles P-C4'-P energy: -2.734 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: 4, replica: 9 ===================================== Write number: 487 Temperature: 1.050000 Total energy: -33.418961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.418961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.418961 (E_RNA) where: Base-Base interactions energy: -13.352 where: short stacking energy: -13.352 Base-Backbone interact. energy: -0.000 local terms energy: -20.067305 where: bonds (distance) C4'-P energy: -3.490 bonds (distance) P-C4' energy: -5.759 flat angles C4'-P-C4' energy: -4.087 flat angles P-C4'-P energy: -2.918 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: 5, replica: 1 ===================================== Write number: 487 Temperature: 1.100000 Total energy: -28.902537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.902537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.902537 (E_RNA) where: Base-Base interactions energy: -11.187 where: short stacking energy: -11.187 Base-Backbone interact. energy: -0.013 local terms energy: -17.702335 where: bonds (distance) C4'-P energy: -3.768 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -4.325 flat angles P-C4'-P energy: -1.960 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: 6, replica: 7 ===================================== Write number: 487 Temperature: 1.150000 Total energy: -28.949426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.949426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.949426 (E_RNA) where: Base-Base interactions energy: -6.815 where: short stacking energy: -6.815 Base-Backbone interact. energy: -0.000 local terms energy: -22.133760 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.027 flat angles P-C4'-P energy: -3.025 tors. eta vs tors. theta energy: -2.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 487 Temperature: 1.200000 Total energy: -33.340115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.340115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.340115 (E_RNA) where: Base-Base interactions energy: -10.618 where: short stacking energy: -10.618 Base-Backbone interact. energy: -0.000 local terms energy: -22.721738 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.998 flat angles P-C4'-P energy: -3.018 tors. eta vs tors. theta energy: -4.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 487 Temperature: 1.250000 Total energy: -29.115404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.115404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.115404 (E_RNA) where: Base-Base interactions energy: -10.355 where: short stacking energy: -10.355 Base-Backbone interact. energy: -0.000 local terms energy: -18.759877 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.568 flat angles P-C4'-P energy: -3.809 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: 9, replica: 10 ===================================== Write number: 487 Temperature: 1.300000 Total energy: -27.541711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.541711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.541711 (E_RNA) where: Base-Base interactions energy: -8.932 where: short stacking energy: -8.932 Base-Backbone interact. energy: -0.074 local terms energy: -18.536508 where: bonds (distance) C4'-P energy: -4.911 bonds (distance) P-C4' energy: -3.568 flat angles C4'-P-C4' energy: -5.033 flat angles P-C4'-P energy: -4.454 tors. eta vs tors. theta energy: -0.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 487 Temperature: 1.350000 Total energy: -24.924437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.924437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.924437 (E_RNA) where: Base-Base interactions energy: -8.591 where: short stacking energy: -8.591 Base-Backbone interact. energy: -0.005 local terms energy: -16.328463 where: bonds (distance) C4'-P energy: -4.173 bonds (distance) P-C4' energy: -5.047 flat angles C4'-P-C4' energy: -2.825 flat angles P-C4'-P energy: -2.578 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: 5 ===================================== Write number: 488 Temperature: 0.900000 Total energy: -29.429308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.429308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.429308 (E_RNA) where: Base-Base interactions energy: -10.618 where: short stacking energy: -10.618 Base-Backbone interact. energy: -0.153 local terms energy: -18.658875 where: bonds (distance) C4'-P energy: -4.625 bonds (distance) P-C4' energy: -5.460 flat angles C4'-P-C4' energy: -4.810 flat angles P-C4'-P energy: -2.672 tors. eta vs tors. theta energy: -1.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 488 Temperature: 0.950000 Total energy: -32.146094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.146094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.146094 (E_RNA) where: Base-Base interactions energy: -9.237 where: short stacking energy: -9.237 Base-Backbone interact. energy: 0.549 local terms energy: -23.458127 where: bonds (distance) C4'-P energy: -4.663 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.885 flat angles P-C4'-P energy: -3.811 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: 3, replica: 9 ===================================== Write number: 488 Temperature: 1.000000 Total energy: -28.622243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.622243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.622243 (E_RNA) where: Base-Base interactions energy: -8.428 where: short stacking energy: -8.428 Base-Backbone interact. energy: -0.096 local terms energy: -20.098666 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.182 flat angles P-C4'-P energy: -3.126 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: 4, replica: 2 ===================================== Write number: 488 Temperature: 1.050000 Total energy: -27.033170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.033170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.033170 (E_RNA) where: Base-Base interactions energy: -10.056 where: short stacking energy: -10.056 Base-Backbone interact. energy: -0.015 local terms energy: -16.962291 where: bonds (distance) C4'-P energy: -2.095 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -4.709 flat angles P-C4'-P energy: -2.492 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: 5, replica: 7 ===================================== Write number: 488 Temperature: 1.100000 Total energy: -31.525723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.525723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.525723 (E_RNA) where: Base-Base interactions energy: -9.757 where: short stacking energy: -9.757 Base-Backbone interact. energy: -0.004 local terms energy: -21.763983 where: bonds (distance) C4'-P energy: -3.863 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.920 flat angles P-C4'-P energy: -4.017 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: 6, replica: 1 ===================================== Write number: 488 Temperature: 1.150000 Total energy: -32.621194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.621194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.621194 (E_RNA) where: Base-Base interactions energy: -10.051 where: short stacking energy: -10.051 Base-Backbone interact. energy: 0.291 local terms energy: -22.861425 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -4.428 flat angles P-C4'-P energy: -3.833 tors. eta vs tors. theta energy: -3.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 488 Temperature: 1.200000 Total energy: -30.078650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.078650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.078650 (E_RNA) where: Base-Base interactions energy: -12.424 where: short stacking energy: -12.424 Base-Backbone interact. energy: -0.001 local terms energy: -17.653550 where: bonds (distance) C4'-P energy: -3.234 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -3.959 flat angles P-C4'-P energy: -3.061 tors. eta vs tors. theta energy: -1.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 488 Temperature: 1.250000 Total energy: -25.992848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.992848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.992848 (E_RNA) where: Base-Base interactions energy: -6.573 where: short stacking energy: -6.573 Base-Backbone interact. energy: -0.000 local terms energy: -19.420047 where: bonds (distance) C4'-P energy: -4.103 bonds (distance) P-C4' energy: -4.879 flat angles C4'-P-C4' energy: -4.658 flat angles P-C4'-P energy: -3.959 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: 3 ===================================== Write number: 488 Temperature: 1.300000 Total energy: -32.140658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.140658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.140658 (E_RNA) where: Base-Base interactions energy: -11.531 where: short stacking energy: -11.531 Base-Backbone interact. energy: -0.000 local terms energy: -20.609624 where: bonds (distance) C4'-P energy: -3.818 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.081 flat angles P-C4'-P energy: -4.894 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: 10 ===================================== Write number: 488 Temperature: 1.350000 Total energy: -29.896056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.896056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.896056 (E_RNA) where: Base-Base interactions energy: -12.307 where: short stacking energy: -12.759 Base-Backbone interact. energy: -0.006 local terms energy: -17.583423 where: bonds (distance) C4'-P energy: -3.959 bonds (distance) P-C4' energy: -4.289 flat angles C4'-P-C4' energy: -5.395 flat angles P-C4'-P energy: -2.193 tors. eta vs tors. theta energy: -1.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 489 Temperature: 0.900000 Total energy: -34.052980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.052980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.052980 (E_RNA) where: Base-Base interactions energy: -13.621 where: short stacking energy: -13.621 Base-Backbone interact. energy: -0.017 local terms energy: -20.415490 where: bonds (distance) C4'-P energy: -4.219 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.604 flat angles P-C4'-P energy: -1.585 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: 9 ===================================== Write number: 489 Temperature: 0.950000 Total energy: -34.618691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.618691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.618691 (E_RNA) where: Base-Base interactions energy: -12.725 where: short stacking energy: -12.725 Base-Backbone interact. energy: -0.002 local terms energy: -21.891892 where: bonds (distance) C4'-P energy: -5.089 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.907 flat angles P-C4'-P energy: -2.708 tors. eta vs tors. theta energy: -4.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 489 Temperature: 1.000000 Total energy: -27.836478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.836478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.836478 (E_RNA) where: Base-Base interactions energy: -8.429 where: short stacking energy: -8.429 Base-Backbone interact. energy: -0.107 local terms energy: -19.301216 where: bonds (distance) C4'-P energy: -5.598 bonds (distance) P-C4' energy: -5.566 flat angles C4'-P-C4' energy: -3.882 flat angles P-C4'-P energy: -3.640 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: 4, replica: 7 ===================================== Write number: 489 Temperature: 1.050000 Total energy: -30.575267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.575267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.575267 (E_RNA) where: Base-Base interactions energy: -11.712 where: short stacking energy: -11.712 Base-Backbone interact. energy: -0.060 local terms energy: -18.803852 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -5.647 flat angles P-C4'-P energy: -2.117 tors. eta vs tors. theta energy: -0.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 489 Temperature: 1.100000 Total energy: -30.319503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.319503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.319503 (E_RNA) where: Base-Base interactions energy: -9.807 where: short stacking energy: -9.807 Base-Backbone interact. energy: -0.040 local terms energy: -20.471982 where: bonds (distance) C4'-P energy: -5.598 bonds (distance) P-C4' energy: -5.305 flat angles C4'-P-C4' energy: -5.764 flat angles P-C4'-P energy: -2.022 tors. eta vs tors. theta energy: -1.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 489 Temperature: 1.150000 Total energy: -24.645992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.645992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.645992 (E_RNA) where: Base-Base interactions energy: -5.166 where: short stacking energy: -5.197 Base-Backbone interact. energy: -0.007 local terms energy: -19.472990 where: bonds (distance) C4'-P energy: -3.756 bonds (distance) P-C4' energy: -3.982 flat angles C4'-P-C4' energy: -5.047 flat angles P-C4'-P energy: -2.714 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: 7, replica: 1 ===================================== Write number: 489 Temperature: 1.200000 Total energy: -31.333012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.333012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.333012 (E_RNA) where: Base-Base interactions energy: -12.661 where: short stacking energy: -12.661 Base-Backbone interact. energy: -0.000 local terms energy: -18.672224 where: bonds (distance) C4'-P energy: -4.219 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -3.710 flat angles P-C4'-P energy: -3.183 tors. eta vs tors. theta energy: -2.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 489 Temperature: 1.250000 Total energy: -28.406487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.406487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.406487 (E_RNA) where: Base-Base interactions energy: -8.409 where: short stacking energy: -8.409 Base-Backbone interact. energy: -0.000 local terms energy: -19.997789 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -5.455 flat angles P-C4'-P energy: -3.024 tors. eta vs tors. theta energy: -0.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 489 Temperature: 1.300000 Total energy: -28.294878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.294878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.294878 (E_RNA) where: Base-Base interactions energy: -8.245 where: short stacking energy: -8.245 Base-Backbone interact. energy: -0.000 local terms energy: -20.049529 where: bonds (distance) C4'-P energy: -4.857 bonds (distance) P-C4' energy: -4.606 flat angles C4'-P-C4' energy: -4.762 flat angles P-C4'-P energy: -2.410 tors. eta vs tors. theta energy: -3.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 489 Temperature: 1.350000 Total energy: -24.844777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.844777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.844777 (E_RNA) where: Base-Base interactions energy: -7.394 where: short stacking energy: -7.694 Base-Backbone interact. energy: -0.140 local terms energy: -17.310395 where: bonds (distance) C4'-P energy: -2.568 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -5.060 flat angles P-C4'-P energy: -3.838 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: 9 ===================================== Write number: 490 Temperature: 0.900000 Total energy: -35.701465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.701465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.701465 (E_RNA) where: Base-Base interactions energy: -11.158 where: short stacking energy: -11.158 Base-Backbone interact. energy: -0.000 local terms energy: -24.543289 where: bonds (distance) C4'-P energy: -4.132 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -3.845 flat angles P-C4'-P energy: -3.778 tors. eta vs tors. theta energy: -6.772 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: 5 ===================================== Write number: 490 Temperature: 0.950000 Total energy: -29.152358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.152358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.152358 (E_RNA) where: Base-Base interactions energy: -11.764 where: short stacking energy: -11.764 Base-Backbone interact. energy: -0.000 local terms energy: -17.388363 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -4.001 flat angles C4'-P-C4' energy: -2.426 flat angles P-C4'-P energy: -4.152 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: 3, replica: 7 ===================================== Write number: 490 Temperature: 1.000000 Total energy: -33.989989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.989989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.989989 (E_RNA) where: Base-Base interactions energy: -13.240 where: short stacking energy: -13.240 Base-Backbone interact. energy: -0.000 local terms energy: -20.749831 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -4.448 flat angles C4'-P-C4' energy: -4.918 flat angles P-C4'-P energy: -3.072 tors. eta vs tors. theta energy: -2.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 490 Temperature: 1.050000 Total energy: -27.993757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.993757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.993757 (E_RNA) where: Base-Base interactions energy: -11.359 where: short stacking energy: -11.359 Base-Backbone interact. energy: -0.000 local terms energy: -16.635181 where: bonds (distance) C4'-P energy: -0.216 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.345 flat angles P-C4'-P energy: -3.338 tors. eta vs tors. theta energy: -1.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 490 Temperature: 1.100000 Total energy: -27.593830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.593830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.593830 (E_RNA) where: Base-Base interactions energy: -6.842 where: short stacking energy: -6.842 Base-Backbone interact. energy: -0.000 local terms energy: -20.752135 where: bonds (distance) C4'-P energy: -5.126 bonds (distance) P-C4' energy: -3.987 flat angles C4'-P-C4' energy: -5.103 flat angles P-C4'-P energy: -2.633 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: 6, replica: 2 ===================================== Write number: 490 Temperature: 1.150000 Total energy: -27.358312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.358312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.358312 (E_RNA) where: Base-Base interactions energy: -7.544 where: short stacking energy: -7.544 Base-Backbone interact. energy: -0.006 local terms energy: -19.808955 where: bonds (distance) C4'-P energy: -4.405 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.098 flat angles P-C4'-P energy: -4.223 tors. eta vs tors. theta energy: -1.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 490 Temperature: 1.200000 Total energy: -26.813764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.813764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.813764 (E_RNA) where: Base-Base interactions energy: -8.883 where: short stacking energy: -8.883 Base-Backbone interact. energy: -0.000 local terms energy: -17.930541 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -5.590 flat angles P-C4'-P energy: -0.943 tors. eta vs tors. theta energy: -0.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 490 Temperature: 1.250000 Total energy: -23.680434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.680434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.680434 (E_RNA) where: Base-Base interactions energy: -4.893 where: short stacking energy: -4.893 Base-Backbone interact. energy: -0.000 local terms energy: -18.787189 where: bonds (distance) C4'-P energy: -4.513 bonds (distance) P-C4' energy: -3.934 flat angles C4'-P-C4' energy: -5.363 flat angles P-C4'-P energy: -3.839 tors. eta vs tors. theta energy: -1.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 490 Temperature: 1.300000 Total energy: -28.216915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.216915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.216915 (E_RNA) where: Base-Base interactions energy: -9.082 where: short stacking energy: -9.082 Base-Backbone interact. energy: -0.063 local terms energy: -19.072342 where: bonds (distance) C4'-P energy: -4.911 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.166 flat angles P-C4'-P energy: -1.598 tors. eta vs tors. theta energy: -1.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 490 Temperature: 1.350000 Total energy: -25.732769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.732769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.732769 (E_RNA) where: Base-Base interactions energy: -7.490 where: short stacking energy: -7.490 Base-Backbone interact. energy: -0.000 local terms energy: -18.242286 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -4.095 flat angles P-C4'-P energy: -1.849 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: 9 ===================================== Write number: 491 Temperature: 0.900000 Total energy: -38.273880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.273880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.273880 (E_RNA) where: Base-Base interactions energy: -16.148 where: short stacking energy: -16.148 Base-Backbone interact. energy: -0.000 local terms energy: -22.125568 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -5.204 flat angles P-C4'-P energy: -1.589 tors. eta vs tors. theta energy: -4.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 491 Temperature: 0.950000 Total energy: -33.455408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.455408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.455408 (E_RNA) where: Base-Base interactions energy: -11.225 where: short stacking energy: -11.225 Base-Backbone interact. energy: -0.000 local terms energy: -22.229916 where: bonds (distance) C4'-P energy: -4.778 bonds (distance) P-C4' energy: -5.043 flat angles C4'-P-C4' energy: -3.039 flat angles P-C4'-P energy: -4.197 tors. eta vs tors. theta energy: -5.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 491 Temperature: 1.000000 Total energy: -31.750648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.750648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.750648 (E_RNA) where: Base-Base interactions energy: -11.397 where: short stacking energy: -11.397 Base-Backbone interact. energy: -0.113 local terms energy: -20.240364 where: bonds (distance) C4'-P energy: -4.547 bonds (distance) P-C4' energy: -5.522 flat angles C4'-P-C4' energy: -4.761 flat angles P-C4'-P energy: -3.076 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: 4, replica: 8 ===================================== Write number: 491 Temperature: 1.050000 Total energy: -29.267575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.267575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.267575 (E_RNA) where: Base-Base interactions energy: -13.715 where: short stacking energy: -13.715 Base-Backbone interact. energy: -0.000 local terms energy: -15.552432 where: bonds (distance) C4'-P energy: 1.001 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -3.165 flat angles P-C4'-P energy: -2.861 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: 6 ===================================== Write number: 491 Temperature: 1.100000 Total energy: -28.014999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.014999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.014999 (E_RNA) where: Base-Base interactions energy: -9.104 where: short stacking energy: -9.104 Base-Backbone interact. energy: -0.144 local terms energy: -18.767697 where: bonds (distance) C4'-P energy: -5.159 bonds (distance) P-C4' energy: -4.544 flat angles C4'-P-C4' energy: -3.930 flat angles P-C4'-P energy: -3.427 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: 6, replica: 2 ===================================== Write number: 491 Temperature: 1.150000 Total energy: -34.773548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.773548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.773548 (E_RNA) where: Base-Base interactions energy: -12.135 where: short stacking energy: -12.135 Base-Backbone interact. energy: -0.000 local terms energy: -22.638570 where: bonds (distance) C4'-P energy: -4.219 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -4.670 flat angles P-C4'-P energy: -3.252 tors. eta vs tors. theta energy: -5.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 491 Temperature: 1.200000 Total energy: -29.255171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.255171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.255171 (E_RNA) where: Base-Base interactions energy: -9.429 where: short stacking energy: -9.429 Base-Backbone interact. energy: -0.000 local terms energy: -19.826070 where: bonds (distance) C4'-P energy: -3.784 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.166 flat angles P-C4'-P energy: -0.919 tors. eta vs tors. theta energy: -3.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 491 Temperature: 1.250000 Total energy: -26.217215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.217215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.217215 (E_RNA) where: Base-Base interactions energy: -9.135 where: short stacking energy: -9.135 Base-Backbone interact. energy: -0.059 local terms energy: -17.023154 where: bonds (distance) C4'-P energy: -5.027 bonds (distance) P-C4' energy: -5.283 flat angles C4'-P-C4' energy: -3.758 flat angles P-C4'-P energy: -4.187 tors. eta vs tors. theta energy: 1.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 491 Temperature: 1.300000 Total energy: -23.809948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.809948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.809948 (E_RNA) where: Base-Base interactions energy: -8.770 where: short stacking energy: -7.911 Base-Backbone interact. energy: -0.065 local terms energy: -14.975862 where: bonds (distance) C4'-P energy: -3.686 bonds (distance) P-C4' energy: -5.540 flat angles C4'-P-C4' energy: -3.092 flat angles P-C4'-P energy: -3.642 tors. eta vs tors. theta energy: 0.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 491 Temperature: 1.350000 Total energy: -25.345649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.345649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.345649 (E_RNA) where: Base-Base interactions energy: -7.079 where: short stacking energy: -7.079 Base-Backbone interact. energy: -0.045 local terms energy: -18.221186 where: bonds (distance) C4'-P energy: -3.358 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -3.710 flat angles P-C4'-P energy: -4.091 tors. eta vs tors. theta energy: -1.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 492 Temperature: 0.900000 Total energy: -34.035528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.035528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.035528 (E_RNA) where: Base-Base interactions energy: -11.148 where: short stacking energy: -11.148 Base-Backbone interact. energy: -0.000 local terms energy: -22.887360 where: bonds (distance) C4'-P energy: -4.778 bonds (distance) P-C4' energy: -5.333 flat angles C4'-P-C4' energy: -5.715 flat angles P-C4'-P energy: -4.171 tors. eta vs tors. theta energy: -2.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 492 Temperature: 0.950000 Total energy: -30.209843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.209843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.209843 (E_RNA) where: Base-Base interactions energy: -6.053 where: short stacking energy: -6.053 Base-Backbone interact. energy: -0.000 local terms energy: -24.157257 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -4.835 flat angles C4'-P-C4' energy: -5.466 flat angles P-C4'-P energy: -4.531 tors. eta vs tors. theta energy: -4.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 492 Temperature: 1.000000 Total energy: -32.424868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.424868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.424868 (E_RNA) where: Base-Base interactions energy: -13.974 where: short stacking energy: -13.974 Base-Backbone interact. energy: -0.000 local terms energy: -18.451129 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -3.622 flat angles P-C4'-P energy: -2.173 tors. eta vs tors. theta energy: -2.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 492 Temperature: 1.050000 Total energy: -33.970963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.970963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.970963 (E_RNA) where: Base-Base interactions energy: -11.444 where: short stacking energy: -11.444 Base-Backbone interact. energy: -0.000 local terms energy: -22.527252 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.308 flat angles C4'-P-C4' energy: -3.219 flat angles P-C4'-P energy: -3.929 tors. eta vs tors. theta energy: -4.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 492 Temperature: 1.100000 Total energy: -29.700571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.700571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.700571 (E_RNA) where: Base-Base interactions energy: -8.077 where: short stacking energy: -8.077 Base-Backbone interact. energy: -0.076 local terms energy: -21.547033 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -4.564 flat angles P-C4'-P energy: -3.404 tors. eta vs tors. theta energy: -2.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 492 Temperature: 1.150000 Total energy: -28.890949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.890949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.890949 (E_RNA) where: Base-Base interactions energy: -7.822 where: short stacking energy: -7.822 Base-Backbone interact. energy: -0.003 local terms energy: -21.066367 where: bonds (distance) C4'-P energy: -5.606 bonds (distance) P-C4' energy: -6.020 flat angles C4'-P-C4' energy: -4.323 flat angles P-C4'-P energy: -3.295 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: 7, replica: 10 ===================================== Write number: 492 Temperature: 1.200000 Total energy: -28.416507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.416507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.416507 (E_RNA) where: Base-Base interactions energy: -10.678 where: short stacking energy: -10.678 Base-Backbone interact. energy: -0.000 local terms energy: -17.738760 where: bonds (distance) C4'-P energy: -3.900 bonds (distance) P-C4' energy: -3.540 flat angles C4'-P-C4' energy: -4.039 flat angles P-C4'-P energy: -2.690 tors. eta vs tors. theta energy: -3.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 492 Temperature: 1.250000 Total energy: -26.911818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.911818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.911818 (E_RNA) where: Base-Base interactions energy: -6.421 where: short stacking energy: -6.421 Base-Backbone interact. energy: -0.080 local terms energy: -20.411352 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -4.423 flat angles C4'-P-C4' energy: -2.758 flat angles P-C4'-P energy: -3.916 tors. eta vs tors. theta energy: -4.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 492 Temperature: 1.300000 Total energy: -26.920879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.920879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.920879 (E_RNA) where: Base-Base interactions energy: -6.754 where: short stacking energy: -6.754 Base-Backbone interact. energy: -0.054 local terms energy: -20.112893 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -3.427 flat angles P-C4'-P energy: -3.373 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: 10, replica: 1 ===================================== Write number: 492 Temperature: 1.350000 Total energy: -24.293288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.293288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.293288 (E_RNA) where: Base-Base interactions energy: -5.463 where: short stacking energy: -5.463 Base-Backbone interact. energy: -0.005 local terms energy: -18.825186 where: bonds (distance) C4'-P energy: -4.307 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -3.488 flat angles P-C4'-P energy: -4.216 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: 5 ===================================== Write number: 493 Temperature: 0.900000 Total energy: -32.980971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.980971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.980971 (E_RNA) where: Base-Base interactions energy: -12.220 where: short stacking energy: -12.220 Base-Backbone interact. energy: -0.014 local terms energy: -20.746415 where: bonds (distance) C4'-P energy: -4.207 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -4.599 flat angles P-C4'-P energy: -3.870 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: 2, replica: 8 ===================================== Write number: 493 Temperature: 0.950000 Total energy: -28.857643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.857643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.857643 (E_RNA) where: Base-Base interactions energy: -8.618 where: short stacking energy: -8.618 Base-Backbone interact. energy: -0.095 local terms energy: -20.144575 where: bonds (distance) C4'-P energy: -4.555 bonds (distance) P-C4' energy: -5.995 flat angles C4'-P-C4' energy: -4.843 flat angles P-C4'-P energy: -3.506 tors. eta vs tors. theta energy: -1.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 493 Temperature: 1.000000 Total energy: -35.177856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.177856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.177856 (E_RNA) where: Base-Base interactions energy: -12.161 where: short stacking energy: -12.161 Base-Backbone interact. energy: -0.000 local terms energy: -23.016931 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -4.417 flat angles P-C4'-P energy: -3.840 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: 4, replica: 6 ===================================== Write number: 493 Temperature: 1.050000 Total energy: -28.364991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.364991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.364991 (E_RNA) where: Base-Base interactions energy: -11.002 where: short stacking energy: -11.002 Base-Backbone interact. energy: -0.000 local terms energy: -17.363136 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -3.966 flat angles C4'-P-C4' energy: -3.418 flat angles P-C4'-P energy: -3.705 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: 5, replica: 7 ===================================== Write number: 493 Temperature: 1.100000 Total energy: -28.063932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.063932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.063932 (E_RNA) where: Base-Base interactions energy: -8.564 where: short stacking energy: -8.564 Base-Backbone interact. energy: -0.005 local terms energy: -19.495287 where: bonds (distance) C4'-P energy: -4.873 bonds (distance) P-C4' energy: -5.075 flat angles C4'-P-C4' energy: -5.014 flat angles P-C4'-P energy: -3.217 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: 2 ===================================== Write number: 493 Temperature: 1.150000 Total energy: -32.262709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.262709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.262709 (E_RNA) where: Base-Base interactions energy: -12.669 where: short stacking energy: -12.669 Base-Backbone interact. energy: -0.000 local terms energy: -19.593801 where: bonds (distance) C4'-P energy: -4.335 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -3.801 flat angles P-C4'-P energy: -3.219 tors. eta vs tors. theta energy: -2.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 493 Temperature: 1.200000 Total energy: -25.793516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.793516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.793516 (E_RNA) where: Base-Base interactions energy: -8.655 where: short stacking energy: -8.655 Base-Backbone interact. energy: -0.000 local terms energy: -17.138466 where: bonds (distance) C4'-P energy: -4.025 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -2.941 flat angles P-C4'-P energy: -3.204 tors. eta vs tors. theta energy: -1.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 493 Temperature: 1.250000 Total energy: -26.702774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.702774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.702774 (E_RNA) where: Base-Base interactions energy: -6.394 where: short stacking energy: -6.943 Base-Backbone interact. energy: -0.013 local terms energy: -20.295709 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -5.308 flat angles C4'-P-C4' energy: -2.956 flat angles P-C4'-P energy: -4.415 tors. eta vs tors. theta energy: -2.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 493 Temperature: 1.300000 Total energy: -27.129879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.129879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.129879 (E_RNA) where: Base-Base interactions energy: -7.954 where: short stacking energy: -7.954 Base-Backbone interact. energy: -0.724 local terms energy: -18.451768 where: bonds (distance) C4'-P energy: -4.219 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -1.005 flat angles P-C4'-P energy: -4.587 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: 10, replica: 1 ===================================== Write number: 493 Temperature: 1.350000 Total energy: -23.863042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.863042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.863042 (E_RNA) where: Base-Base interactions energy: -7.283 where: short stacking energy: -7.283 Base-Backbone interact. energy: -0.008 local terms energy: -16.571842 where: bonds (distance) C4'-P energy: -4.485 bonds (distance) P-C4' energy: -6.026 flat angles C4'-P-C4' energy: -2.162 flat angles P-C4'-P energy: -2.566 tors. eta vs tors. theta energy: -1.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 494 Temperature: 0.900000 Total energy: -37.974738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.974738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.974738 (E_RNA) where: Base-Base interactions energy: -15.021 where: short stacking energy: -15.021 Base-Backbone interact. energy: -0.004 local terms energy: -22.950026 where: bonds (distance) C4'-P energy: -4.609 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.814 flat angles P-C4'-P energy: -4.711 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: 2, replica: 5 ===================================== Write number: 494 Temperature: 0.950000 Total energy: -32.725040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.725040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.725040 (E_RNA) where: Base-Base interactions energy: -11.867 where: short stacking energy: -11.867 Base-Backbone interact. energy: -0.000 local terms energy: -20.858116 where: bonds (distance) C4'-P energy: -4.173 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.236 flat angles P-C4'-P energy: -4.464 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: 3, replica: 6 ===================================== Write number: 494 Temperature: 1.000000 Total energy: -32.354727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.354727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.354727 (E_RNA) where: Base-Base interactions energy: -12.417 where: short stacking energy: -12.417 Base-Backbone interact. energy: -0.000 local terms energy: -19.937406 where: bonds (distance) C4'-P energy: -2.861 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.357 flat angles P-C4'-P energy: -3.760 tors. eta vs tors. theta energy: -2.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 494 Temperature: 1.050000 Total energy: -32.334201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.334201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.334201 (E_RNA) where: Base-Base interactions energy: -15.023 where: short stacking energy: -15.023 Base-Backbone interact. energy: -0.000 local terms energy: -17.311570 where: bonds (distance) C4'-P energy: -4.600 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: 1.223 flat angles P-C4'-P energy: -4.370 tors. eta vs tors. theta energy: -4.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 494 Temperature: 1.100000 Total energy: -29.294723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.294723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.294723 (E_RNA) where: Base-Base interactions energy: -11.345 where: short stacking energy: -11.345 Base-Backbone interact. energy: -0.006 local terms energy: -17.943369 where: bonds (distance) C4'-P energy: -4.413 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -4.766 flat angles P-C4'-P energy: -2.834 tors. eta vs tors. theta energy: -0.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 494 Temperature: 1.150000 Total energy: -31.080889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.080889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.080889 (E_RNA) where: Base-Base interactions energy: -8.279 where: short stacking energy: -8.279 Base-Backbone interact. energy: -0.000 local terms energy: -22.801745 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.090 flat angles P-C4'-P energy: -4.237 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: 7, replica: 4 ===================================== Write number: 494 Temperature: 1.200000 Total energy: -30.202916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.202916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.202916 (E_RNA) where: Base-Base interactions energy: -8.550 where: short stacking energy: -8.550 Base-Backbone interact. energy: -0.037 local terms energy: -21.615349 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -5.314 flat angles C4'-P-C4' energy: -4.617 flat angles P-C4'-P energy: -3.502 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: 8, replica: 10 ===================================== Write number: 494 Temperature: 1.250000 Total energy: -27.538697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.538697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.538697 (E_RNA) where: Base-Base interactions energy: -11.357 where: short stacking energy: -11.357 Base-Backbone interact. energy: 0.383 local terms energy: -16.564832 where: bonds (distance) C4'-P energy: -3.428 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -2.230 flat angles P-C4'-P energy: -2.308 tors. eta vs tors. theta energy: -3.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 494 Temperature: 1.300000 Total energy: -26.975579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.975579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.975579 (E_RNA) where: Base-Base interactions energy: -12.250 where: short stacking energy: -12.250 Base-Backbone interact. energy: -0.087 local terms energy: -14.638382 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -4.022 flat angles C4'-P-C4' energy: -4.250 flat angles P-C4'-P energy: 0.236 tors. eta vs tors. theta energy: -1.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 494 Temperature: 1.350000 Total energy: -28.013388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.013388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.013388 (E_RNA) where: Base-Base interactions energy: -8.792 where: short stacking energy: -8.792 Base-Backbone interact. energy: -0.052 local terms energy: -19.168558 where: bonds (distance) C4'-P energy: -5.010 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -3.920 flat angles P-C4'-P energy: -4.176 tors. eta vs tors. theta energy: -0.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 495 Temperature: 0.900000 Total energy: -34.191090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.191090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.191090 (E_RNA) where: Base-Base interactions energy: -14.200 where: short stacking energy: -14.200 Base-Backbone interact. energy: -0.012 local terms energy: -19.979483 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -5.068 flat angles P-C4'-P energy: -3.336 tors. eta vs tors. theta energy: -1.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 495 Temperature: 0.950000 Total energy: -33.291986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.291986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.291986 (E_RNA) where: Base-Base interactions energy: -12.470 where: short stacking energy: -12.470 Base-Backbone interact. energy: -0.000 local terms energy: -20.821679 where: bonds (distance) C4'-P energy: -4.538 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.829 flat angles P-C4'-P energy: -2.805 tors. eta vs tors. theta energy: -2.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 495 Temperature: 1.000000 Total energy: -34.792058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.792058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.792058 (E_RNA) where: Base-Base interactions energy: -14.904 where: short stacking energy: -14.904 Base-Backbone interact. energy: -0.000 local terms energy: -19.887807 where: bonds (distance) C4'-P energy: -3.834 bonds (distance) P-C4' energy: -4.973 flat angles C4'-P-C4' energy: -5.820 flat angles P-C4'-P energy: -2.869 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: 7 ===================================== Write number: 495 Temperature: 1.050000 Total energy: -29.067634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.067634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.067634 (E_RNA) where: Base-Base interactions energy: -9.429 where: short stacking energy: -9.429 Base-Backbone interact. energy: -0.002 local terms energy: -19.637243 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -4.702 flat angles P-C4'-P energy: -3.395 tors. eta vs tors. theta energy: -0.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 495 Temperature: 1.100000 Total energy: -31.077552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.077552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.077552 (E_RNA) where: Base-Base interactions energy: -11.885 where: short stacking energy: -11.885 Base-Backbone interact. energy: -0.000 local terms energy: -19.192187 where: bonds (distance) C4'-P energy: -3.805 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.938 flat angles P-C4'-P energy: -3.701 tors. eta vs tors. theta energy: -0.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 495 Temperature: 1.150000 Total energy: -28.393883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.393883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.393883 (E_RNA) where: Base-Base interactions energy: -10.494 where: short stacking energy: -10.494 Base-Backbone interact. energy: -0.000 local terms energy: -17.899700 where: bonds (distance) C4'-P energy: -4.245 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -5.095 flat angles P-C4'-P energy: -1.622 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: 7, replica: 2 ===================================== Write number: 495 Temperature: 1.200000 Total energy: -27.606683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.606683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.606683 (E_RNA) where: Base-Base interactions energy: -6.781 where: short stacking energy: -6.781 Base-Backbone interact. energy: -0.065 local terms energy: -20.760024 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.225 flat angles P-C4'-P energy: -2.227 tors. eta vs tors. theta energy: -2.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 495 Temperature: 1.250000 Total energy: -24.406415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.406415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.406415 (E_RNA) where: Base-Base interactions energy: -6.131 where: short stacking energy: -6.749 Base-Backbone interact. energy: -0.002 local terms energy: -18.273606 where: bonds (distance) C4'-P energy: -4.219 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.488 flat angles P-C4'-P energy: -3.230 tors. eta vs tors. theta energy: -0.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 495 Temperature: 1.300000 Total energy: -30.449586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.449586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.449586 (E_RNA) where: Base-Base interactions energy: -12.538 where: short stacking energy: -12.538 Base-Backbone interact. energy: -0.006 local terms energy: -17.905595 where: bonds (distance) C4'-P energy: -2.514 bonds (distance) P-C4' energy: -3.969 flat angles C4'-P-C4' energy: -4.622 flat angles P-C4'-P energy: -3.543 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: 10, replica: 3 ===================================== Write number: 495 Temperature: 1.350000 Total energy: -24.134509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.134509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.134509 (E_RNA) where: Base-Base interactions energy: -7.400 where: short stacking energy: -7.400 Base-Backbone interact. energy: -0.019 local terms energy: -16.715878 where: bonds (distance) C4'-P energy: -4.343 bonds (distance) P-C4' energy: -5.072 flat angles C4'-P-C4' energy: -3.302 flat angles P-C4'-P energy: -3.378 tors. eta vs tors. theta energy: -0.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 496 Temperature: 0.900000 Total energy: -36.012385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.012385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.012385 (E_RNA) where: Base-Base interactions energy: -11.779 where: short stacking energy: -11.779 Base-Backbone interact. energy: -0.000 local terms energy: -24.233236 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -5.556 flat angles P-C4'-P energy: -3.240 tors. eta vs tors. theta energy: -4.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 496 Temperature: 0.950000 Total energy: -36.495621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.495621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.495621 (E_RNA) where: Base-Base interactions energy: -16.451 where: short stacking energy: -16.451 Base-Backbone interact. energy: -0.000 local terms energy: -20.044964 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -2.666 flat angles C4'-P-C4' energy: -5.396 flat angles P-C4'-P energy: -3.251 tors. eta vs tors. theta energy: -4.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 496 Temperature: 1.000000 Total energy: -30.429058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.429058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.429058 (E_RNA) where: Base-Base interactions energy: -9.514 where: short stacking energy: -9.514 Base-Backbone interact. energy: -0.293 local terms energy: -20.621413 where: bonds (distance) C4'-P energy: -4.911 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -3.745 flat angles P-C4'-P energy: -3.705 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: 4, replica: 5 ===================================== Write number: 496 Temperature: 1.050000 Total energy: -30.216081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.216081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.216081 (E_RNA) where: Base-Base interactions energy: -9.674 where: short stacking energy: -9.674 Base-Backbone interact. energy: -0.074 local terms energy: -20.468121 where: bonds (distance) C4'-P energy: -4.219 bonds (distance) P-C4' energy: -3.385 flat angles C4'-P-C4' energy: -5.612 flat angles P-C4'-P energy: -4.105 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: 5, replica: 4 ===================================== Write number: 496 Temperature: 1.100000 Total energy: -26.784136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.784136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.784136 (E_RNA) where: Base-Base interactions energy: -7.523 where: short stacking energy: -7.523 Base-Backbone interact. energy: -0.000 local terms energy: -19.260739 where: bonds (distance) C4'-P energy: -4.628 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -5.378 flat angles P-C4'-P energy: -3.719 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: 6, replica: 9 ===================================== Write number: 496 Temperature: 1.150000 Total energy: -25.736365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.736365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.736365 (E_RNA) where: Base-Base interactions energy: -8.255 where: short stacking energy: -8.255 Base-Backbone interact. energy: -0.000 local terms energy: -17.480966 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.498 flat angles C4'-P-C4' energy: -3.715 flat angles P-C4'-P energy: -1.870 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: 7, replica: 1 ===================================== Write number: 496 Temperature: 1.200000 Total energy: -29.904897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.904897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.904897 (E_RNA) where: Base-Base interactions energy: -8.664 where: short stacking energy: -8.664 Base-Backbone interact. energy: -0.000 local terms energy: -21.240119 where: bonds (distance) C4'-P energy: -4.421 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -3.512 flat angles P-C4'-P energy: -1.925 tors. eta vs tors. theta energy: -5.129 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: 2 ===================================== Write number: 496 Temperature: 1.250000 Total energy: -26.877417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.877417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.877417 (E_RNA) where: Base-Base interactions energy: -10.410 where: short stacking energy: -10.410 Base-Backbone interact. energy: -0.000 local terms energy: -16.467157 where: bonds (distance) C4'-P energy: -4.423 bonds (distance) P-C4' energy: -3.954 flat angles C4'-P-C4' energy: -2.706 flat angles P-C4'-P energy: -0.869 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: 9, replica: 3 ===================================== Write number: 496 Temperature: 1.300000 Total energy: -25.778728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.778728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.778728 (E_RNA) where: Base-Base interactions energy: -7.468 where: short stacking energy: -7.468 Base-Backbone interact. energy: -0.007 local terms energy: -18.303918 where: bonds (distance) C4'-P energy: -4.227 bonds (distance) P-C4' energy: -3.270 flat angles C4'-P-C4' energy: -4.573 flat angles P-C4'-P energy: -3.303 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: 10, replica: 10 ===================================== Write number: 496 Temperature: 1.350000 Total energy: -25.226543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.226543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.226543 (E_RNA) where: Base-Base interactions energy: -6.984 where: short stacking energy: -6.984 Base-Backbone interact. energy: -0.046 local terms energy: -18.197135 where: bonds (distance) C4'-P energy: -4.307 bonds (distance) P-C4' energy: -4.675 flat angles C4'-P-C4' energy: -4.252 flat angles P-C4'-P energy: -3.928 tors. eta vs tors. theta energy: -1.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 497 Temperature: 0.900000 Total energy: -31.805228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.805228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.805228 (E_RNA) where: Base-Base interactions energy: -10.131 where: short stacking energy: -10.131 Base-Backbone interact. energy: -0.066 local terms energy: -21.608661 where: bonds (distance) C4'-P energy: -5.205 bonds (distance) P-C4' energy: -5.522 flat angles C4'-P-C4' energy: -5.274 flat angles P-C4'-P energy: -4.122 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: 2, replica: 8 ===================================== Write number: 497 Temperature: 0.950000 Total energy: -38.946409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.946409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.946409 (E_RNA) where: Base-Base interactions energy: -15.148 where: short stacking energy: -15.148 Base-Backbone interact. energy: -0.000 local terms energy: -23.798024 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.471 flat angles P-C4'-P energy: -4.457 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: 3, replica: 7 ===================================== Write number: 497 Temperature: 1.000000 Total energy: -34.204684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.204684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.204684 (E_RNA) where: Base-Base interactions energy: -15.441 where: short stacking energy: -12.127 Base-Backbone interact. energy: -0.163 local terms energy: -18.600204 where: bonds (distance) C4'-P energy: -4.016 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -5.219 flat angles P-C4'-P energy: -2.439 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: 4, replica: 4 ===================================== Write number: 497 Temperature: 1.050000 Total energy: -31.169285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.169285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.169285 (E_RNA) where: Base-Base interactions energy: -11.841 where: short stacking energy: -11.841 Base-Backbone interact. energy: -0.002 local terms energy: -19.326024 where: bonds (distance) C4'-P energy: -3.080 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -5.343 flat angles P-C4'-P energy: -3.676 tors. eta vs tors. theta energy: -1.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 497 Temperature: 1.100000 Total energy: -31.347572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.347572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.347572 (E_RNA) where: Base-Base interactions energy: -9.958 where: short stacking energy: -9.958 Base-Backbone interact. energy: -0.000 local terms energy: -21.389081 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -3.423 flat angles P-C4'-P energy: -3.238 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: 6, replica: 1 ===================================== Write number: 497 Temperature: 1.150000 Total energy: -34.146253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.146253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.146253 (E_RNA) where: Base-Base interactions energy: -13.976 where: short stacking energy: -13.976 Base-Backbone interact. energy: -0.000 local terms energy: -20.170270 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -3.789 flat angles C4'-P-C4' energy: -4.155 flat angles P-C4'-P energy: -3.065 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: 7, replica: 9 ===================================== Write number: 497 Temperature: 1.200000 Total energy: -27.225880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.225880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.225880 (E_RNA) where: Base-Base interactions energy: -8.265 where: short stacking energy: -8.265 Base-Backbone interact. energy: -0.020 local terms energy: -18.940828 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -3.969 flat angles C4'-P-C4' energy: -3.523 flat angles P-C4'-P energy: -2.135 tors. eta vs tors. theta energy: -3.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 497 Temperature: 1.250000 Total energy: -26.901166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.901166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.901166 (E_RNA) where: Base-Base interactions energy: -5.933 where: short stacking energy: -5.933 Base-Backbone interact. energy: -0.002 local terms energy: -20.966736 where: bonds (distance) C4'-P energy: -4.654 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -4.670 flat angles P-C4'-P energy: -2.736 tors. eta vs tors. theta energy: -2.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 497 Temperature: 1.300000 Total energy: -23.944722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.944722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.944722 (E_RNA) where: Base-Base interactions energy: -7.239 where: short stacking energy: -7.239 Base-Backbone interact. energy: -0.000 local terms energy: -16.706053 where: bonds (distance) C4'-P energy: -4.786 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.767 flat angles P-C4'-P energy: 0.285 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: 10, replica: 10 ===================================== Write number: 497 Temperature: 1.350000 Total energy: -28.674163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.674163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.674163 (E_RNA) where: Base-Base interactions energy: -10.164 where: short stacking energy: -10.164 Base-Backbone interact. energy: -0.000 local terms energy: -18.510197 where: bonds (distance) C4'-P energy: -1.868 bonds (distance) P-C4' energy: -4.939 flat angles C4'-P-C4' energy: -3.633 flat angles P-C4'-P energy: -3.836 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: 1, replica: 8 ===================================== Write number: 498 Temperature: 0.900000 Total energy: -38.371872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.371872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.371872 (E_RNA) where: Base-Base interactions energy: -15.511 where: short stacking energy: -15.511 Base-Backbone interact. energy: -0.001 local terms energy: -22.859698 where: bonds (distance) C4'-P energy: -4.111 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -5.237 flat angles P-C4'-P energy: -4.187 tors. eta vs tors. theta energy: -3.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 498 Temperature: 0.950000 Total energy: -34.202592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.202592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.202592 (E_RNA) where: Base-Base interactions energy: -12.457 where: short stacking energy: -12.457 Base-Backbone interact. energy: -0.001 local terms energy: -21.744501 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.730 flat angles C4'-P-C4' energy: -4.686 flat angles P-C4'-P energy: -4.550 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: 3, replica: 4 ===================================== Write number: 498 Temperature: 1.000000 Total energy: -34.301149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.301149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.301149 (E_RNA) where: Base-Base interactions energy: -13.390 where: short stacking energy: -13.390 Base-Backbone interact. energy: -0.000 local terms energy: -20.911187 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -5.065 flat angles C4'-P-C4' energy: -4.055 flat angles P-C4'-P energy: -3.930 tors. eta vs tors. theta energy: -3.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 498 Temperature: 1.050000 Total energy: -32.439048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.439048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.439048 (E_RNA) where: Base-Base interactions energy: -10.735 where: short stacking energy: -10.735 Base-Backbone interact. energy: -0.000 local terms energy: -21.704031 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -4.875 flat angles C4'-P-C4' energy: -3.891 flat angles P-C4'-P energy: -4.143 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: 5 ===================================== Write number: 498 Temperature: 1.100000 Total energy: -30.116868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.116868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.116868 (E_RNA) where: Base-Base interactions energy: -7.878 where: short stacking energy: -7.878 Base-Backbone interact. energy: -0.005 local terms energy: -22.233703 where: bonds (distance) C4'-P energy: -4.140 bonds (distance) P-C4' energy: -5.559 flat angles C4'-P-C4' energy: -5.312 flat angles P-C4'-P energy: -4.190 tors. eta vs tors. theta energy: -3.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 498 Temperature: 1.150000 Total energy: -28.256907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.256907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.256907 (E_RNA) where: Base-Base interactions energy: -6.874 where: short stacking energy: -6.874 Base-Backbone interact. energy: -0.008 local terms energy: -21.374800 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -5.227 flat angles C4'-P-C4' energy: -5.037 flat angles P-C4'-P energy: -4.059 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: 3 ===================================== Write number: 498 Temperature: 1.200000 Total energy: -28.303802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.303802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.303802 (E_RNA) where: Base-Base interactions energy: -11.695 where: short stacking energy: -11.695 Base-Backbone interact. energy: -0.000 local terms energy: -16.608314 where: bonds (distance) C4'-P energy: -2.194 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -3.630 flat angles P-C4'-P energy: -3.094 tors. eta vs tors. theta energy: -2.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 498 Temperature: 1.250000 Total energy: -23.495790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.495790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.495790 (E_RNA) where: Base-Base interactions energy: -4.933 where: short stacking energy: -4.933 Base-Backbone interact. energy: -0.002 local terms energy: -18.560933 where: bonds (distance) C4'-P energy: -2.771 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -4.380 flat angles P-C4'-P energy: -3.845 tors. eta vs tors. theta energy: -1.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 498 Temperature: 1.300000 Total energy: -27.543581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.543581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.543581 (E_RNA) where: Base-Base interactions energy: -7.136 where: short stacking energy: -7.136 Base-Backbone interact. energy: -0.036 local terms energy: -20.371626 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -4.942 flat angles C4'-P-C4' energy: -3.213 flat angles P-C4'-P energy: -2.751 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: 10, replica: 2 ===================================== Write number: 498 Temperature: 1.350000 Total energy: -24.526117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.526117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.526117 (E_RNA) where: Base-Base interactions energy: -7.633 where: short stacking energy: -7.633 Base-Backbone interact. energy: -0.000 local terms energy: -16.893260 where: bonds (distance) C4'-P energy: -2.621 bonds (distance) P-C4' energy: -5.566 flat angles C4'-P-C4' energy: -3.353 flat angles P-C4'-P energy: -3.868 tors. eta vs tors. theta energy: -1.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 499 Temperature: 0.900000 Total energy: -38.139422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.139422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.139422 (E_RNA) where: Base-Base interactions energy: -15.283 where: short stacking energy: -15.283 Base-Backbone interact. energy: -0.002 local terms energy: -22.854246 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -4.584 flat angles P-C4'-P energy: -2.672 tors. eta vs tors. theta energy: -4.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 499 Temperature: 0.950000 Total energy: -31.529939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.529939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.529939 (E_RNA) where: Base-Base interactions energy: -12.932 where: short stacking energy: -12.932 Base-Backbone interact. energy: -0.000 local terms energy: -18.597904 where: bonds (distance) C4'-P energy: -4.140 bonds (distance) P-C4' energy: -4.215 flat angles C4'-P-C4' energy: -3.194 flat angles P-C4'-P energy: -4.322 tors. eta vs tors. theta energy: -2.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 499 Temperature: 1.000000 Total energy: -28.937440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.937440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.937440 (E_RNA) where: Base-Base interactions energy: -8.401 where: short stacking energy: -8.401 Base-Backbone interact. energy: -0.005 local terms energy: -20.531533 where: bonds (distance) C4'-P energy: -4.405 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.273 flat angles P-C4'-P energy: -4.316 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: 4, replica: 5 ===================================== Write number: 499 Temperature: 1.050000 Total energy: -32.339625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.339625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.339625 (E_RNA) where: Base-Base interactions energy: -13.330 where: short stacking energy: -13.330 Base-Backbone interact. energy: -0.010 local terms energy: -18.998936 where: bonds (distance) C4'-P energy: -4.663 bonds (distance) P-C4' energy: -4.544 flat angles C4'-P-C4' energy: -4.603 flat angles P-C4'-P energy: -4.342 tors. eta vs tors. theta energy: -0.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 499 Temperature: 1.100000 Total energy: -30.482657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.482657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.482657 (E_RNA) where: Base-Base interactions energy: -11.432 where: short stacking energy: -11.432 Base-Backbone interact. energy: -0.099 local terms energy: -18.951396 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -4.942 flat angles C4'-P-C4' energy: -4.335 flat angles P-C4'-P energy: -2.857 tors. eta vs tors. theta energy: -1.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 499 Temperature: 1.150000 Total energy: -32.418078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.418078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.418078 (E_RNA) where: Base-Base interactions energy: -11.350 where: short stacking energy: -11.350 Base-Backbone interact. energy: -0.000 local terms energy: -21.067873 where: bonds (distance) C4'-P energy: -3.632 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -5.341 flat angles P-C4'-P energy: -4.018 tors. eta vs tors. theta energy: -1.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 499 Temperature: 1.200000 Total energy: -31.812702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.812702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.812702 (E_RNA) where: Base-Base interactions energy: -10.803 where: short stacking energy: -10.803 Base-Backbone interact. energy: -0.000 local terms energy: -21.008987 where: bonds (distance) C4'-P energy: -3.019 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -5.047 flat angles P-C4'-P energy: -3.948 tors. eta vs tors. theta energy: -3.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 499 Temperature: 1.250000 Total energy: -24.016151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.016151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.016151 (E_RNA) where: Base-Base interactions energy: -6.753 where: short stacking energy: -6.753 Base-Backbone interact. energy: -0.023 local terms energy: -17.240526 where: bonds (distance) C4'-P energy: -4.563 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -4.126 flat angles P-C4'-P energy: -3.904 tors. eta vs tors. theta energy: 0.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 499 Temperature: 1.300000 Total energy: -24.923671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.923671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.923671 (E_RNA) where: Base-Base interactions energy: -4.412 where: short stacking energy: -4.412 Base-Backbone interact. energy: -0.774 local terms energy: -19.737030 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -5.569 flat angles C4'-P-C4' energy: -5.627 flat angles P-C4'-P energy: -3.437 tors. eta vs tors. theta energy: -0.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 499 Temperature: 1.350000 Total energy: -27.728015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.728015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.728015 (E_RNA) where: Base-Base interactions energy: -9.912 where: short stacking energy: -9.912 Base-Backbone interact. energy: -0.000 local terms energy: -17.815620 where: bonds (distance) C4'-P energy: -3.243 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -3.994 flat angles P-C4'-P energy: -2.493 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) out arg RESULTS//1/5mpg_rna-c6774990_01 DONE DONE DONE DONE DONE DONE DONE DONE DONE ================================== temp. level: 1, replica: 4 ===================================== Write number: 500 Temperature: 0.900000 Total energy: -35.788701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.788701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.788701 (E_RNA) where: Base-Base interactions energy: -15.429 where: short stacking energy: -15.429 Base-Backbone interact. energy: -0.000 local terms energy: -20.359733 where: bonds (distance) C4'-P energy: -4.128 bonds (distance) P-C4' energy: -5.562 flat angles C4'-P-C4' energy: -4.940 flat angles P-C4'-P energy: -1.444 tors. eta vs tors. theta energy: -4.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 500 Temperature: 0.950000 Total energy: -32.287005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.287005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.287005 (E_RNA) where: Base-Base interactions energy: -11.699 where: short stacking energy: -11.699 Base-Backbone interact. energy: -0.000 local terms energy: -20.587668 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -4.511 flat angles P-C4'-P energy: -3.535 tors. eta vs tors. theta energy: -1.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 500 Temperature: 1.000000 Total energy: -34.391191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.391191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.391191 (E_RNA) where: Base-Base interactions energy: -13.581 where: short stacking energy: -13.581 Base-Backbone interact. energy: -0.496 local terms energy: -20.314369 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -5.467 flat angles C4'-P-C4' energy: -3.988 flat angles P-C4'-P energy: -3.775 tors. eta vs tors. theta energy: -2.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 500 Temperature: 1.050000 Total energy: -31.676805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.676805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.676805 (E_RNA) where: Base-Base interactions energy: -14.154 where: short stacking energy: -14.154 Base-Backbone interact. energy: -0.004 local terms energy: -17.518774 where: bonds (distance) C4'-P energy: -2.915 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -3.204 flat angles P-C4'-P energy: -3.698 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: 5, replica: 3 ===================================== Write number: 500 Temperature: 1.100000 Total energy: -27.856165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.856165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.856165 (E_RNA) where: Base-Base interactions energy: -10.890 where: short stacking energy: -10.890 Base-Backbone interact. energy: 0.318 local terms energy: -17.283807 where: bonds (distance) C4'-P energy: -4.485 bonds (distance) P-C4' energy: -4.702 flat angles C4'-P-C4' energy: -2.928 flat angles P-C4'-P energy: -3.752 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: 7 ===================================== Write number: 500 Temperature: 1.150000 Total energy: -27.600083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.600083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.600083 (E_RNA) where: Base-Base interactions energy: -11.491 where: short stacking energy: -11.491 Base-Backbone interact. energy: -0.002 local terms energy: -16.107284 where: bonds (distance) C4'-P energy: -3.747 bonds (distance) P-C4' energy: -3.638 flat angles C4'-P-C4' energy: -4.706 flat angles P-C4'-P energy: -3.096 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: 7, replica: 10 ===================================== Write number: 500 Temperature: 1.200000 Total energy: -26.009717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.009717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.009717 (E_RNA) where: Base-Base interactions energy: -10.195 where: short stacking energy: -10.195 Base-Backbone interact. energy: -0.074 local terms energy: -15.741029 where: bonds (distance) C4'-P energy: -4.645 bonds (distance) P-C4' energy: -5.569 flat angles C4'-P-C4' energy: -4.672 flat angles P-C4'-P energy: -0.568 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: 1 ===================================== Write number: 500 Temperature: 1.250000 Total energy: -26.159750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.159750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.159750 (E_RNA) where: Base-Base interactions energy: -7.732 where: short stacking energy: -7.732 Base-Backbone interact. energy: -0.021 local terms energy: -18.405986 where: bonds (distance) C4'-P energy: -4.628 bonds (distance) P-C4' energy: -5.305 flat angles C4'-P-C4' energy: -4.072 flat angles P-C4'-P energy: -3.934 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: 2 ===================================== Write number: 500 Temperature: 1.300000 Total energy: -24.555351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.555351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.555351 (E_RNA) where: Base-Base interactions energy: -6.265 where: short stacking energy: -6.265 Base-Backbone interact. energy: -0.027 local terms energy: -18.263754 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -4.879 flat angles C4'-P-C4' energy: -4.587 flat angles P-C4'-P energy: -3.077 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: 10, replica: 9 ===================================== Write number: 500 Temperature: 1.350000 Total energy: -24.393788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.393788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.393788 (E_RNA) where: Base-Base interactions energy: -4.780 where: short stacking energy: -4.780 Base-Backbone interact. energy: -0.017 local terms energy: -19.596209 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -5.231 flat angles C4'-P-C4' energy: -5.627 flat angles P-C4'-P energy: -3.478 tors. eta vs tors. theta energy: -0.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE ================================== temp. level: 1, replica: 4 ===================================== Write number: 501 Temperature: 0.900000 Total energy: -36.567200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.567200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.567200 (E_RNA) where: Base-Base interactions energy: -13.442 where: short stacking energy: -13.442 Base-Backbone interact. energy: -0.000 local terms energy: -23.125503 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -3.845 flat angles P-C4'-P energy: -2.865 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: 2, replica: 5 ===================================== Write number: 501 Temperature: 0.950000 Total energy: -28.641429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.641429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.641429 (E_RNA) where: Base-Base interactions energy: -11.992 where: short stacking energy: -11.992 Base-Backbone interact. energy: -0.086 local terms energy: -16.563090 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -5.566 flat angles C4'-P-C4' energy: -1.684 flat angles P-C4'-P energy: -4.513 tors. eta vs tors. theta energy: -0.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 501 Temperature: 1.000000 Total energy: -30.438629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.438629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.438629 (E_RNA) where: Base-Base interactions energy: -10.079 where: short stacking energy: -10.079 Base-Backbone interact. energy: -0.000 local terms energy: -20.359791 where: bonds (distance) C4'-P energy: -3.374 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -3.954 flat angles P-C4'-P energy: -2.573 tors. eta vs tors. theta energy: -4.442 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: 6 ===================================== Write number: 501 Temperature: 1.050000 Total energy: -24.451696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.451696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.451696 (E_RNA) where: Base-Base interactions energy: -7.158 where: short stacking energy: -7.177 Base-Backbone interact. energy: -0.022 local terms energy: -17.271436 where: bonds (distance) C4'-P energy: -4.281 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -5.030 flat angles P-C4'-P energy: -2.826 tors. eta vs tors. theta energy: 0.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 501 Temperature: 1.100000 Total energy: -32.952995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.952995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.952995 (E_RNA) where: Base-Base interactions energy: -11.618 where: short stacking energy: -11.618 Base-Backbone interact. energy: -0.000 local terms energy: -21.335001 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -4.026 flat angles C4'-P-C4' energy: -5.324 flat angles P-C4'-P energy: -3.444 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: 6, replica: 10 ===================================== Write number: 501 Temperature: 1.150000 Total energy: -26.601112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.601112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.601112 (E_RNA) where: Base-Base interactions energy: -7.017 where: short stacking energy: -7.017 Base-Backbone interact. energy: -0.000 local terms energy: -19.583810 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -3.595 flat angles P-C4'-P energy: -3.371 tors. eta vs tors. theta energy: -2.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 501 Temperature: 1.200000 Total energy: -27.212440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.212440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.212440 (E_RNA) where: Base-Base interactions energy: -10.439 where: short stacking energy: -10.439 Base-Backbone interact. energy: -0.000 local terms energy: -16.773448 where: bonds (distance) C4'-P energy: -4.609 bonds (distance) P-C4' energy: -3.007 flat angles C4'-P-C4' energy: -5.029 flat angles P-C4'-P energy: -1.094 tors. eta vs tors. theta energy: -3.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 501 Temperature: 1.250000 Total energy: -26.439698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.439698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.439698 (E_RNA) where: Base-Base interactions energy: -7.883 where: short stacking energy: -7.883 Base-Backbone interact. energy: -0.013 local terms energy: -18.543948 where: bonds (distance) C4'-P energy: -4.103 bonds (distance) P-C4' energy: -3.252 flat angles C4'-P-C4' energy: -5.200 flat angles P-C4'-P energy: -3.819 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: 1 ===================================== Write number: 501 Temperature: 1.300000 Total energy: -27.535051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.535051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.535051 (E_RNA) where: Base-Base interactions energy: -8.302 where: short stacking energy: -8.302 Base-Backbone interact. energy: -0.093 local terms energy: -19.140675 where: bonds (distance) C4'-P energy: -2.683 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -4.689 flat angles P-C4'-P energy: -2.899 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: 10, replica: 9 ===================================== Write number: 501 Temperature: 1.350000 Total energy: -21.665642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.665642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.665642 (E_RNA) where: Base-Base interactions energy: -4.558 where: short stacking energy: -4.558 Base-Backbone interact. energy: -0.059 local terms energy: -17.048315 where: bonds (distance) C4'-P energy: -4.753 bonds (distance) P-C4' energy: -5.724 flat angles C4'-P-C4' energy: -2.546 flat angles P-C4'-P energy: -4.635 tors. eta vs tors. theta energy: 0.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) replica 5 ended at temp. level: 1, temp: 0.900000 for this replica: moves confirmed at first: 7796922 moves confirmed later: 10300492 all moves confirmed: 18097414 percent of confirmed moves: 2.262177 current total energy: -20.362261 recalc. total energy: -20.362261 replica 4 ended at temp. level: 2, temp: 0.950000 for this replica: moves confirmed at first: 7723147 moves confirmed later: 10188646 all moves confirmed: 17911793 percent of confirmed moves: 2.238974 current total energy: -14.987128 recalc. total energy: -14.987128 replica 6 ended at temp. level: 3, temp: 1.000000 for this replica: moves confirmed at first: 7850550 moves confirmed later: 10390988 all moves confirmed: 18241538 percent of confirmed moves: 2.280192 current total energy: -3.841391 recalc. total energy: -3.841391 replica 8 ended at temp. level: 4, temp: 1.050000 for this replica: moves confirmed at first: 7766827 moves confirmed later: 10247564 all moves confirmed: 18014391 percent of confirmed moves: 2.251799 current total energy: -8.424519 recalc. total energy: -8.424519 replica 10 ended at temp. level: 5, temp: 1.100000 for this replica: moves confirmed at first: 7883808 moves confirmed later: 10445665 all moves confirmed: 18329473 percent of confirmed moves: 2.291184 current total energy: -17.215093 recalc. total energy: -17.215093 replica 3 ended at temp. level: 6, temp: 1.150000 for this replica: moves confirmed at first: 7838416 moves confirmed later: 10386770 all moves confirmed: 18225186 percent of confirmed moves: 2.278148 current total energy: -18.800068 recalc. total energy: -18.800068 replica 2 ended at temp. level: 7, temp: 1.200000 for this replica: moves confirmed at first: 7819899 moves confirmed later: 10347253 all moves confirmed: 18167152 percent of confirmed moves: 2.270894 current total energy: -12.526869 recalc. total energy: -12.526869 replica 7 ended at temp. level: 8, temp: 1.250000 for this replica: moves confirmed at first: 7788974 moves confirmed later: 10282830 all moves confirmed: 18071804 percent of confirmed moves: 2.258976 current total energy: -10.153427 recalc. total energy: -10.153427 replica 1 ended at temp. level: 9, temp: 1.300000 for this replica: moves confirmed at first: 7860229 moves confirmed later: 10403087 all moves confirmed: 18263316 percent of confirmed moves: 2.282914 current total energy: -16.354259 recalc. total energy: -16.354259 replica 9 ended at temp. level: 10, temp: 1.350000 for this replica: moves confirmed at first: 7882259 moves confirmed later: 10451942 all moves confirmed: 18334201 percent of confirmed moves: 2.291775 current total energy: -7.440220 recalc. total energy: -7.440220 Time of doing 8000000 iterations: 424.400 seconds